- candid: assign gamma=0.5 ambiguity=20 support=0.02..20.0 transposed=10.0 observ
        able=10.0 structure=0.75 smooth=0.5 volume=0.001 rsupport=0.75 tsupport=1.0
        0 quality=0.2 violation=1.5
 
    Peak 2 (11.10, 11.10, 134.86 ppm):
    1 diagonal assignment:
    *     HE1   TRP   49 - HE1   TRP   49  (1.00)  kept
 
    Peak 3 (8.71, 8.71, 131.46 ppm):
    1 diagonal assignment:
    *     HN    ALA   20 - HN    ALA   20  (1.00)  kept
 
    Peak 4 (8.93, 8.93, 131.32 ppm):
    1 diagonal assignment:
    *     HN    ILE   19 - HN    ILE   19  (1.00)  kept
 
    Peak 5 (10.20, 10.20, 129.00 ppm):
    1 diagonal assignment:
    *     HE1   TRP   27 - HE1   TRP   27  (1.00)  kept
 
    Peak 6 (8.53, 8.53, 128.95 ppm):
    1 diagonal assignment:
    *     HN    VAL   75 - HN    VAL   75  (1.00)  kept
 
    Peak 7 (9.14, 9.14, 128.89 ppm):
    1 diagonal assignment:
    *     HN    VAL  108 - HN    VAL  108  (1.00)  kept
 
    Peak 8 (9.10, 9.10, 128.88 ppm):
    1 diagonal assignment:
    *     HN    ASP-  76 - HN    ASP-  76  (1.00)  kept
 
    Peak 9 (7.45, 7.45, 128.80 ppm):
    1 diagonal assignment:
    *     HN    ALA  124 - HN    ALA  124  (1.00)  kept
 
    Peak 10 (10.56, 10.56, 128.74 ppm):
    1 diagonal assignment:
    *     HE1   TRP   87 - HE1   TRP   87  (1.00)  kept
 
    Peak 11 (9.38, 9.38, 128.74 ppm):
    1 diagonal assignment:
    *     HN    LEU  104 - HN    LEU  104  (1.00)  kept
 
    Peak 12 (8.15, 8.15, 128.27 ppm):
    1 diagonal assignment:
    *     HN    LEU   71 - HN    LEU   71  (1.00)  kept
 
    Peak 13 (9.02, 9.02, 128.16 ppm):
    1 diagonal assignment:
    *     HN    VAL   41 - HN    VAL   41  (1.00)  kept
 
    Peak 14 (8.88, 8.88, 128.13 ppm):
    1 diagonal assignment:
    *     HN    LEU   40 - HN    LEU   40  (1.00)  kept
 
    Peak 15 (10.11, 10.11, 128.03 ppm):
    1 diagonal assignment:
    *     HN    GLU- 100 - HN    GLU- 100  (1.00)  kept
 
    Peak 16 (9.36, 9.36, 127.59 ppm):
    1 diagonal assignment:
    *     HN    PHE   72 - HN    PHE   72  (1.00)  kept
 
    Peak 17 (8.62, 8.62, 127.39 ppm):
    1 diagonal assignment:
    *     HN    GLN   90 - HN    GLN   90  (1.00)  kept
 
    Peak 18 (7.41, 7.41, 127.14 ppm):
    1 diagonal assignment:
    *     HN    ALA   57 - HN    ALA   57  (1.00)  kept
 
    Peak 19 (8.95, 8.95, 126.35 ppm):
    1 diagonal assignment:
    *     HN    VAL   42 - HN    VAL   42  (1.00)  kept
 
    Peak 20 (9.16, 9.16, 125.94 ppm):
    1 diagonal assignment:
    *     HN    VAL   43 - HN    VAL   43  (1.00)  kept
 
    Peak 21 (8.74, 8.74, 125.75 ppm):
    1 diagonal assignment:
    *     HN    PHE   45 - HN    PHE   45  (1.00)  kept
 
    Peak 22 (7.58, 7.58, 125.75 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 111 - HN    LYS+ 111  (1.00)  kept
 
    Peak 23 (9.69, 9.69, 125.68 ppm):
    1 diagonal assignment:
    *     HN    LEU   98 - HN    LEU   98  (1.00)  kept
 
    Peak 24 (9.57, 9.57, 125.50 ppm):
    1 diagonal assignment:
    *     HN    VAL  107 - HN    VAL  107  (1.00)  kept
 
    Peak 25 (9.87, 9.87, 125.46 ppm):
    1 diagonal assignment:
    *     HN    PHE   95 - HN    PHE   95  (1.00)  kept
 
    Peak 26 (8.37, 8.37, 125.10 ppm):
    1 diagonal assignment:
    *     HN    ALA   12 - HN    ALA   12  (0.72)  kept
 
    Peak 27 (7.98, 7.98, 124.64 ppm):
    1 diagonal assignment:
    *     HN    VAL   70 - HN    VAL   70  (1.00)  kept
 
    Peak 28 (8.31, 8.31, 124.24 ppm):
    1 diagonal assignment:
    *     HN    ASP-  86 - HN    ASP-  86  (1.00)  kept
 
    Peak 29 (8.49, 8.49, 124.18 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 112 - HN    LYS+ 112  (1.00)  kept
 
    Peak 30 (8.39, 8.39, 124.20 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 31 (8.40, 8.40, 123.79 ppm):
    1 diagonal assignment:
    *     HN    PHE   97 - HN    PHE   97  (1.00)  kept
 
    Peak 32 (6.59, 6.59, 123.60 ppm):
    1 diagonal assignment:
    *     HN    VAL   83 - HN    VAL   83  (0.75)  kept
 
    Peak 33 (9.32, 9.32, 123.66 ppm):
    1 diagonal assignment:
    *     HN    MET   96 - HN    MET   96  (0.89)  kept
 
    Peak 34 (8.78, 8.78, 123.55 ppm):
    1 diagonal assignment:
    *     HN    ASP-  44 - HN    ASP-  44  (1.00)  kept
 
    Peak 35 (9.21, 9.21, 123.27 ppm):
    1 diagonal assignment:
    *     HN    VAL   24 - HN    VAL   24  (1.00)  kept
 
    Peak 36 (7.73, 7.73, 123.24 ppm):
    2 diagonal assignments:
    *     HN    TRP   27 - HN    TRP   27  (1.00)  kept
          HN    ALA   91 - HN    ALA   91  (0.10)  kept
 
    Peak 37 (8.40, 8.40, 122.87 ppm):
    1 diagonal assignment:
    *     HN    LEU  115 - HN    LEU  115  (1.00)  kept
 
    Peak 38 (7.72, 7.72, 122.85 ppm):
    2 diagonal assignments:
    *     HN    ALA   91 - HN    ALA   91  (1.00)  kept
          HN    TRP   27 - HN    TRP   27  (0.10)  kept
 
    Peak 39 (8.32, 8.32, 122.30 ppm):
    1 diagonal assignment:
    *     HN    GLU-  14 - HN    GLU-  14  (0.70)  kept
 
    Peak 40 (8.48, 8.48, 122.27 ppm):
    1 diagonal assignment:
    *     HN    MET   11 - HN    MET   11  (1.00)  kept
 
    Peak 41 (8.75, 8.75, 122.21 ppm):
    1 diagonal assignment:
    *     HN    ALA  110 - HN    ALA  110  (1.00)  kept
 
    Peak 42 (8.62, 8.62, 122.05 ppm):
    1 diagonal assignment:
    *     HN    ILE  103 - HN    ILE  103  (1.00)  kept
 
    Peak 43 (8.16, 8.16, 121.97 ppm):
    1 diagonal assignment:
    *     HN    GLU- 114 - HN    GLU- 114  (1.00)  kept
 
    Peak 44 (6.60, 6.60, 121.96 ppm):
    1 diagonal assignment:
    *     HN    CYS   50 - HN    CYS   50  (1.00)  kept
 
    Peak 45 (7.29, 7.29, 121.74 ppm):
    1 diagonal assignment:
    *     HN    LYS+  81 - HN    LYS+  81  (1.00)  kept
 
    Peak 46 (8.02, 8.02, 121.50 ppm):
    1 diagonal assignment:
    *     HN    GLU-  79 - HN    GLU-  79  (0.61)  kept
 
    Peak 47 (7.82, 7.82, 121.71 ppm):
    1 diagonal assignment:
    *     HN    ALA   88 - HN    ALA   88  (1.00)  kept
 
    Peak 48 (8.08, 8.08, 121.56 ppm):
    2 diagonal assignments:
    *     HN    ALA   34 - HN    ALA   34  (1.00)  kept
          HN    LEU   80 - HN    LEU   80  (0.89)  kept
 
    Peak 49 (7.46, 7.46, 121.46 ppm):
    1 diagonal assignment:
    *     HN    LEU  123 - HN    LEU  123  (1.00)  kept
 
    Peak 50 (7.92, 7.92, 121.27 ppm):
    2 diagonal assignments:
    *     HN    ILE  119 - HN    ILE  119  (1.00)  kept
          HN    CYS   21 - HN    CYS   21  (0.23)  kept
 
    Peak 51 (8.48, 8.48, 121.30 ppm):
    1 diagonal assignment:
    *     HN    LYS+  74 - HN    LYS+  74  (0.71)  kept
 
    Peak 52 (8.29, 8.29, 121.00 ppm):
    1 diagonal assignment:
    *     HN    GLU-  29 - HN    GLU-  29  (1.00)  kept
 
    Peak 53 (7.93, 7.93, 121.01 ppm):
    2 diagonal assignments:
    *     HN    CYS   21 - HN    CYS   21  (1.00)  kept
          HN    ILE  119 - HN    ILE  119  (0.23)  kept
 
    Peak 54 (8.17, 8.17, 120.70 ppm):
    2 diagonal assignments:
          HN    PHE   60 - HN    PHE   60  (0.22)  kept
    *     HN    THR  118 - HN    THR  118  (0.16)  kept
 
    Peak 55 (7.86, 7.86, 120.86 ppm):
    1 diagonal assignment:
    *     HN    ASP-  62 - HN    ASP-  62  (0.86)  kept
 
    Peak 56 (7.59, 7.59, 120.97 ppm):
    1 diagonal assignment:
    *     HN    LEU   63 - HN    LEU   63  (1.00)  kept
 
    Peak 57 (7.01, 7.01, 120.97 ppm):
    1 diagonal assignment:
    *     HN    ALA   47 - HN    ALA   47  (1.00)  kept
 
    Peak 58 (7.76, 7.76, 120.90 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 102 - HN    LYS+ 102  (1.00)  kept
 
    Peak 59 (9.10, 9.10, 120.75 ppm):
    1 diagonal assignment:
    *     HN    HIS   22 - HN    HIS   22  (1.00)  kept
 
    Peak 60 (8.95, 8.95, 120.59 ppm):
    1 diagonal assignment:
    *     HN    LEU   73 - HN    LEU   73  (1.00)  kept
 
    Peak 61 (7.95, 7.95, 120.58 ppm):
    1 diagonal assignment:
    *     HN    LYS+  33 - HN    LYS+  33  (1.00)  kept
 
    Peak 62 (8.36, 8.36, 120.50 ppm):
    1 diagonal assignment:
    *     HN    ASN   35 - HN    ASN   35  (1.00)  kept
 
    Peak 63 (8.78, 8.78, 120.28 ppm):
    1 diagonal assignment:
    *     HN    GLU-  25 - HN    GLU-  25  (1.00)  kept
 
    Peak 64 (7.58, 7.58, 119.96 ppm):
    1 diagonal assignment:
    *     HN    ALA   84 - HN    ALA   84  (1.00)  kept
 
    Peak 65 (7.34, 7.34, 119.88 ppm):
    2 diagonal assignments:
    *     HN    LEU   67 - HN    LEU   67  (1.00)  kept
          HE3   TRP   27 - HE3   TRP   27  (0.03)  kept
 
    Peak 66 (9.44, 9.44, 119.76 ppm):
    1 diagonal assignment:
    *     HN    SER   48 - HN    SER   48  (1.00)  kept
 
    Peak 67 (8.06, 8.06, 119.69 ppm):
    1 diagonal assignment:
    *     HN    GLN   32 - HN    GLN   32  (1.00)  kept
 
    Peak 68 (7.25, 7.25, 119.50 ppm):
    1 diagonal assignment:
    *     HN    PHE   59 - HN    PHE   59  (0.77)  kept
 
    Peak 69 (7.76, 7.76, 119.36 ppm):
    1 diagonal assignment:
    *     HN    GLU-  36 - HN    GLU-  36  (1.00)  kept
 
    Peak 70 (8.52, 8.52, 119.25 ppm):
    1 diagonal assignment:
    *     HN    ASP-  78 - HN    ASP-  78  (1.00)  kept
 
    Peak 71 (9.27, 9.27, 119.07 ppm):
    1 diagonal assignment:
    *     HN    THR   77 - HN    THR   77  (1.00)  kept
 
    Peak 72 (7.84, 7.84, 118.81 ppm):
    2 diagonal assignments:
    *     HN    PHE   55 - HN    PHE   55  (0.79)  kept
          HN    LEU   31 - HN    LEU   31  (0.39)  kept
 
    Peak 73 (7.91, 7.91, 118.70 ppm):
    1 diagonal assignment:
    *     HN    ILE   89 - HN    ILE   89  (1.00)  kept
 
    Peak 74 (7.43, 7.43, 118.69 ppm):
    1 diagonal assignment:
    *     HN    ALA  120 - HN    ALA  120  (0.85)  kept
 
    Peak 75 (8.46, 8.46, 118.59 ppm):
    1 diagonal assignment:
    *     HN    MET   92 - HN    MET   92  (1.00)  kept
 
    Peak 76 (8.31, 8.31, 118.54 ppm):
    2 diagonal assignments:
    *     HN    GLN   30 - HN    GLN   30  (1.00)  kept
          HN    LYS+  99 - HN    LYS+  99  (0.02)  kept
 
    Peak 77 (6.46, 6.46, 118.53 ppm):
    1 diagonal assignment:
    *     HN    ALA   64 - HN    ALA   64  (1.00)  kept
 
    Peak 78 (8.97, 8.97, 118.18 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 106 - HN    LYS+ 106  (1.00)  kept
 
    Peak 79 (8.33, 8.33, 118.17 ppm):
    2 diagonal assignments:
    *     HN    LYS+  99 - HN    LYS+  99  (1.00)  kept
          HN    GLN   30 - HN    GLN   30  (0.02)  kept
 
    Peak 80 (7.69, 7.69, 117.92 ppm):
    1 diagonal assignment:
    *     HN    TRP   87 - HN    TRP   87  (1.00)  kept
 
    Peak 82 (7.88, 7.88, 117.58 ppm):
    1 diagonal assignment:
    *     HN    LYS+  38 - HN    LYS+  38  (1.00)  kept
 
    Peak 83 (7.27, 7.27, 117.25 ppm):
    1 diagonal assignment:
    *     HN    LYS+  66 - HN    LYS+  66  (1.00)  kept
 
    Peak 84 (8.46, 8.46, 117.19 ppm):
    1 diagonal assignment:
    *     HN    THR   46 - HN    THR   46  (1.00)  kept
 
    Peak 85 (7.72, 7.72, 117.18 ppm):
    1 diagonal assignment:
    *     HN    ALA   61 - HN    ALA   61  (1.00)  kept
 
    Peak 86 (8.17, 8.17, 116.99 ppm):
    1 diagonal assignment:
    *     HN    GLN  116 - HN    GLN  116  (1.00)  kept
 
    Peak 87 (6.63, 6.63, 116.57 ppm):
    1 diagonal assignment:
    *     HN    TRP   49 - HN    TRP   49  (1.00)  kept
 
    Peak 88 (7.51, 7.51, 116.39 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 121 - HN    LYS+ 121  (0.80)  kept
 
    Peak 89 (8.12, 8.12, 116.43 ppm):
    1 diagonal assignment:
    *     HN    THR   26 - HN    THR   26  (1.00)  kept
 
    Peak 90 (7.80, 7.80, 116.22 ppm):
    1 diagonal assignment:
    *     HN    ASP- 105 - HN    ASP- 105  (1.00)  kept
 
    Peak 91 (7.69, 7.69, 115.83 ppm):
    1 diagonal assignment:
    *     HN    GLN   17 - HN    GLN   17  (1.00)  kept
 
    Peak 92 (8.80, 8.80, 115.33 ppm):
    1 diagonal assignment:
    *     HN    ASN   28 - HN    ASN   28  (1.00)  kept
 
    Peak 93 (8.03, 8.03, 115.19 ppm):
    1 diagonal assignment:
    *     HN    THR   94 - HN    THR   94  (1.00)  kept
 
    Peak 94 (8.66, 8.66, 115.11 ppm):
    1 diagonal assignment:
    *     HN    SER  117 - HN    SER  117  (1.00)  kept
 
    Peak 95 (7.59, 7.59, 115.08 ppm):
    2 diagonal assignments:
    *     HN    ILE   56 - HN    ILE   56  (1.00)  kept
          HZ2   TRP   87 - HZ2   TRP   87  (0.01)  kept
 
    Peak 96 (8.60, 8.60, 114.88 ppm):
    1 diagonal assignment:
    *     HN    GLY  109 - HN    GLY  109  (0.75)  kept
 
    Peak 97 (6.90, 6.90, 114.80 ppm):
    1 diagonal assignment:
    *     HN    LYS+  65 - HN    LYS+  65  (0.69)  kept
 
    Peak 98 (8.82, 8.82, 114.58 ppm):
    1 diagonal assignment:
    *     HN    ASN   69 - HN    ASN   69  (1.00)  kept
 
    Peak 99 (8.24, 8.24, 114.58 ppm):
    1 diagonal assignment:
    *     HN    SER   13 - HN    SER   13  (1.00)  kept
 
    Peak 100 (7.75, 7.75, 114.55 ppm):
    1 diagonal assignment:
    *     HN    THR   39 - HN    THR   39  (1.00)  kept
 
    Peak 101 (8.64, 8.64, 114.33 ppm):
    1 diagonal assignment:
    *     HN    SER   82 - HN    SER   82  (1.00)  kept
 
    Peak 102 (7.24, 7.24, 114.00 ppm):
    1 diagonal assignment:
    *     HN    HIS  122 - HN    HIS  122  (0.31)  kept
 
    Peak 103 (7.68, 7.68, 113.30 ppm):
    1 diagonal assignment:
    *     HD21  ASN   69 - HD21  ASN   69  (0.56)  kept
 
    Peak 104 (6.66, 6.66, 113.30 ppm):
    1 diagonal assignment:
    *     HD22  ASN   69 - HD22  ASN   69  (0.56)  kept
 
    Peak 105 (7.45, 7.45, 112.50 ppm):
    1 diagonal assignment:
    *     HE21  GLN   17 - HE21  GLN   17  (0.71)  kept
 
    Peak 106 (6.81, 6.81, 112.50 ppm):
    2 diagonal assignments:
    *     HE22  GLN   17 - HE22  GLN   17  (0.71)  kept
          HE22  GLN   32 - HE22  GLN   32  (0.31)  kept
 
    Peak 107 (7.57, 7.57, 112.27 ppm):
    1 diagonal assignment:
    *     HE21  GLN   32 - HE21  GLN   32  (1.00)  kept
 
    Peak 108 (6.80, 6.80, 112.28 ppm):
    3 diagonal assignments:
    *     HE22  GLN   32 - HE22  GLN   32  (1.00)  kept
          HE22  GLN   90 - HE22  GLN   90  (0.37)  kept
          HE22  GLN   17 - HE22  GLN   17  (0.09)  kept
 
    Peak 109 (7.91, 7.91, 112.05 ppm):
    1 diagonal assignment:
    *     HN    SER   37 - HN    SER   37  (1.00)  kept
 
    Peak 110 (7.39, 7.39, 112.01 ppm):
    1 diagonal assignment:
    *     HE21  GLN   90 - HE21  GLN   90  (1.00)  kept
 
    Peak 111 (6.80, 6.80, 112.00 ppm):
    2 diagonal assignments:
    *     HE22  GLN   90 - HE22  GLN   90  (1.00)  kept
          HE22  GLN   32 - HE22  GLN   32  (0.38)  kept
 
    Peak 112 (7.61, 7.61, 111.81 ppm):
    1 diagonal assignment:
    *     HD21  ASN   28 - HD21  ASN   28  (1.00)  kept
 
    Peak 113 (6.97, 6.97, 111.81 ppm):
    1 diagonal assignment:
    *     HD22  ASN   28 - HD22  ASN   28  (1.00)  kept
 
    Peak 114 (7.18, 7.18, 111.61 ppm):
    1 diagonal assignment:
    *     HE21  GLN   30 - HE21  GLN   30  (1.00)  kept
 
    Peak 115 (8.05, 8.05, 111.48 ppm):
    1 diagonal assignment:
    *     HN    SER   85 - HN    SER   85  (1.00)  kept
 
    Peak 116 (7.41, 7.41, 111.00 ppm):
    1 diagonal assignment:
    *     HE21  GLN  116 - HE21  GLN  116  (1.00)  kept
 
    Peak 117 (6.83, 6.83, 111.00 ppm):
    1 diagonal assignment:
    *     HE22  GLN  116 - HE22  GLN  116  (1.00)  kept
 
    Peak 118 (8.66, 8.66, 110.73 ppm):
    1 diagonal assignment:
    *     HN    GLY   16 - HN    GLY   16  (0.96)  kept
 
    Peak 119 (8.09, 8.09, 110.83 ppm):
    1 diagonal assignment:
    *     HN    CYS   53 - HN    CYS   53  (1.00)  kept
 
    Peak 120 (7.37, 7.37, 110.13 ppm):
    1 diagonal assignment:
    *     HD21  ASN   35 - HD21  ASN   35  (1.00)  kept
 
    Peak 121 (6.53, 6.53, 110.12 ppm):
    1 diagonal assignment:
    *     HD22  ASN   35 - HD22  ASN   35  (1.00)  kept
 
    Peak 122 (7.33, 7.33, 104.59 ppm):
    1 diagonal assignment:
    *     HN    THR   23 - HN    THR   23  (1.00)  kept
 
    Peak 123 (8.85, 8.85, 104.25 ppm):
    1 diagonal assignment:
    *     HN    GLY  101 - HN    GLY  101  (1.00)  kept
 
    Peak 124 (6.64, 6.64, 111.61 ppm):
    1 diagonal assignment:
    *     HE22  GLN   30 - HE22  GLN   30  (1.00)  kept
 
    Peak 125 (8.18, 8.18, 120.93 ppm):
    3 diagonal assignments:
    *     HN    PHE   60 - HN    PHE   60  (0.98)  kept
          HN    THR  118 - HN    THR  118  (0.77)  kept
          HN    GLU-  15 - HN    GLU-  15  (0.16)  kept
 
    Peak 126 (7.87, 7.87, 121.30 ppm):
    2 diagonal assignments:
    *     HN    ARG+  54 - HN    ARG+  54  (0.89)  kept
          HN    ASP-  62 - HN    ASP-  62  (0.11)  kept
 
    Peak 127 (8.09, 8.09, 121.65 ppm):
    2 diagonal assignments:
    *     HN    LEU   80 - HN    LEU   80  (0.89)  kept
          HN    ALA   34 - HN    ALA   34  (0.68)  kept
 
    Peak 129 (7.85, 7.85, 118.81 ppm):
    2 diagonal assignments:
    *     HN    LEU   31 - HN    LEU   31  (0.93)  kept
          HN    PHE   55 - HN    PHE   55  (0.26)  kept
 
    Peak 130 (8.27, 8.27, 122.56 ppm):
    1 diagonal assignment:
    *     HN    VAL   18 - HN    VAL   18  (0.93)  kept
 
    Peak 131 (8.20, 8.20, 120.98 ppm):
    3 diagonal assignments:
    *     HN    GLU-  15 - HN    GLU-  15  (1.00)  kept
          HN    PHE   60 - HN    PHE   60  (0.23)  kept
          HN    THR  118 - HN    THR  118  (0.07)  kept
 
    Peak 134 (9.57, 9.57, 121.38 ppm):
    1 diagonal assignment:
    *     HN    GLY   51 - HN    GLY   51  (1.00)  kept
 
    Peak 268 (8.43, 8.43, 117.70 ppm):
    1 diagonal assignment:
    *     HN    ASP- 113 - HN    ASP- 113  (0.85)  kept
 
    Peak 269 (4.29, 8.48, 122.27 ppm):
    12 chemical-shift based assignments, quality = 0.943, support = 3.35, residual support = 47.9:
      O   HA    MET   11 - HN    MET   11   2.76 +/- 0.21  83.494% * 92.0134% (0.95  10.0   3.37  48.36) =  98.686%  kept
          HA    ALA   12 - HN    MET   11   5.18 +/- 0.31  13.767% *  7.4155% (0.73   1.0   2.10  12.05) =   1.311%  kept
          HA    GLU-  14 - HN    MET   11  11.23 +/- 0.68   1.342% *  0.0590% (0.61   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    MET   11  35.24 +/- 7.75   0.332% *  0.0844% (0.87   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    MET   11  30.73 +/- 7.50   0.180% *  0.0844% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    MET   11  33.77 +/- 7.65   0.154% *  0.0668% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    MET   11  29.87 +/- 5.34   0.118% *  0.0743% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    MET   11  22.90 +/- 4.79   0.247% *  0.0300% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    MET   11  29.76 +/- 3.52   0.080% *  0.0898% (0.92   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    MET   11  29.00 +/- 6.36   0.152% *  0.0365% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    MET   11  31.88 +/- 5.86   0.096% *  0.0243% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    MET   11  39.43 +/- 5.44   0.038% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 270 (4.31, 8.37, 125.10 ppm):
    9 chemical-shift based assignments, quality = 0.556, support = 2.83, residual support = 12.2:
      O   HA    ALA   12 - HN    ALA   12   2.78 +/- 0.14  38.981% * 68.6590% (0.71  10.0   2.38  12.37) =  59.535%  kept
      O   HA    MET   11 - HN    ALA   12   2.42 +/- 0.14  58.569% * 31.0568% (0.32  10.0   3.50  12.05) =  40.462%  kept
          HA    GLU-  14 - HN    ALA   12   7.83 +/- 0.72   1.995% *  0.0691% (0.72   1.0   0.02   0.02) =   0.003%
          HA    ASP-  86 - HN    ALA   12  31.62 +/- 6.81   0.052% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   12  29.44 +/- 5.60   0.067% *  0.0529% (0.55   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   12  28.38 +/- 6.74   0.107% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   12  33.00 +/- 6.94   0.088% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   12  27.42 +/- 5.14   0.095% *  0.0173% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   12  27.06 +/- 3.49   0.048% *  0.0285% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 271 (4.33, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.137, support = 1.71, residual support = 5.19:
      O   HA    ALA   12 - HN    SER   13   2.61 +/- 0.38  84.390% * 87.3683% (0.14  10.0   1.72   5.15) =  97.793%  kept
          HA    GLU-  14 - HN    SER   13   4.83 +/- 0.45  15.131% * 10.9855% (0.20   1.0   1.47   6.60) =   2.205%  kept
          HA    TRP   87 - HN    SER   13  29.30 +/- 5.55   0.095% *  0.7379% (0.98   1.0   0.02   0.02) =   0.001%
          HA    LEU  104 - HN    SER   13  27.40 +/- 5.86   0.168% *  0.3961% (0.53   1.0   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    SER   13  26.56 +/- 3.85   0.116% *  0.3961% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ASP-  86 - HN    SER   13  29.96 +/- 5.86   0.099% *  0.1162% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 272 (3.87, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.06, residual support = 6.22:
      O   QB    SER   13 - HN    SER   13   2.89 +/- 0.41  95.852% * 99.5044% (0.87  10.0   2.06   6.22) =  99.995%  kept
          HB3   SER   37 - HN    SER   13  15.83 +/- 5.35   2.404% *  0.1124% (0.98   1.0   0.02   0.02) =   0.003%
          HB    THR   39 - HN    SER   13  17.61 +/- 5.45   1.063% *  0.1029% (0.90   1.0   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    SER   13  28.12 +/- 6.24   0.351% *  0.0649% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   13  30.24 +/- 4.86   0.165% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   13  29.28 +/- 4.10   0.165% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 273 (4.43, 8.27, 122.56 ppm):
    9 chemical-shift based assignments, quality = 0.806, support = 5.46, residual support = 50.0:
      O   HA    GLN   17 - HN    VAL   18   2.55 +/- 0.14  89.817% * 99.5491% (0.81  10.0   5.46  50.04) =  99.994%  kept
          HA    SER   37 - HN    VAL   18  14.82 +/- 3.86   1.776% *  0.0995% (0.81   1.0   0.02   0.02) =   0.002%
          HA    VAL   42 - HN    VAL   18  13.20 +/- 2.98   1.317% *  0.1100% (0.89   1.0   0.02   0.02) =   0.002%
          HA    GLU-  15 - HN    VAL   18   7.28 +/- 0.48   4.111% *  0.0297% (0.24   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    VAL   18  11.76 +/- 1.84   1.398% *  0.0297% (0.24   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   18  17.96 +/- 4.01   0.362% *  0.0911% (0.74   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   18  15.88 +/- 4.26   0.720% *  0.0265% (0.21   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   18  22.22 +/- 4.31   0.224% *  0.0407% (0.33   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   18  22.04 +/- 4.75   0.275% *  0.0236% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 274 (4.02, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.363, support = 5.54, residual support = 75.1:
      O   HA    VAL   18 - HN    VAL   18   2.86 +/- 0.04  81.502% * 86.2286% (0.36  10.0   5.58  75.99) =  98.765%  kept
          HA1   GLY   16 - HN    VAL   18   6.64 +/- 0.19   6.655% * 12.8934% (0.43   1.0   2.50   0.02) =   1.206%  kept
          HA    VAL   70 - HN    VAL   18   9.97 +/- 4.12   4.688% *  0.1993% (0.84   1.0   0.02   0.02) =   0.013%
          HB2   SER   37 - HN    VAL   18  12.95 +/- 3.71   3.367% *  0.1840% (0.77   1.0   0.02   0.02) =   0.009%
          HA    LYS+  33 - HN    VAL   18  14.19 +/- 3.61   2.228% *  0.1301% (0.55   1.0   0.02   0.02) =   0.004%
          HA    GLN  116 - HN    VAL   18  19.90 +/- 4.56   0.611% *  0.1993% (0.84   1.0   0.02   0.02) =   0.002%
          HA    GLU-  29 - HN    VAL   18  15.99 +/- 2.48   0.703% *  0.0945% (0.40   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    VAL   18  22.12 +/- 3.46   0.247% *  0.0709% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 275 (4.41, 8.32, 122.30 ppm):
    10 chemical-shift based assignments, quality = 0.672, support = 2.1, residual support = 6.5:
      O   HA    SER   13 - HN    GLU-  14   2.53 +/- 0.31  79.296% * 89.6143% (0.67  10.0   2.09   6.60) =  97.882%  kept
          HA    GLU-  15 - HN    GLU-  14   4.81 +/- 0.50  15.410% *  9.9577% (0.67   1.0   2.22   1.70) =   2.114%  kept
          HA    GLN   17 - HN    GLU-  14   9.10 +/- 1.35   3.351% *  0.0674% (0.51   1.0   0.02   0.02) =   0.003%
          HA    SER   37 - HN    GLU-  14  14.78 +/- 5.40   0.960% *  0.0674% (0.51   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    GLU-  14  18.06 +/- 4.24   0.371% *  0.0776% (0.58   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  14  24.54 +/- 3.96   0.110% *  0.0878% (0.66   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  14  26.66 +/- 4.29   0.101% *  0.0744% (0.56   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLU-  14  20.15 +/- 2.96   0.192% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  14  27.03 +/- 6.11   0.141% *  0.0207% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  14  28.72 +/- 3.26   0.067% *  0.0143% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 276 (7.72, 8.66, 110.73 ppm):
    6 chemical-shift based assignments, quality = 0.132, support = 3.58, residual support = 17.1:
          HN    GLN   17 - HN    GLY   16   2.45 +/- 0.13  95.976% * 86.6804% (0.13   3.58  17.13) =  99.931%  kept
          HE3   TRP   87 - HN    GLY   16  21.40 +/- 4.66   0.446% *  3.3048% (0.90   0.02   0.02) =   0.018%
          HN    THR   39 - HN    GLY   16  11.17 +/- 4.45   2.639% *  0.5524% (0.15   0.02   0.12) =   0.018%
          HN    ALA   61 - HN    GLY   16  18.30 +/- 3.98   0.352% *  3.5483% (0.97   0.02   0.02) =   0.015%
          HN    TRP   27 - HN    GLY   16  15.65 +/- 1.68   0.436% *  2.4591% (0.67   0.02   0.02) =   0.013%
          HN    ALA   91 - HN    GLY   16  26.04 +/- 4.72   0.151% *  3.4550% (0.94   0.02   0.02) =   0.006%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 277 (8.66, 7.69, 115.83 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.58, residual support = 17.1:
        T HN    GLY   16 - HN    GLN   17   2.45 +/- 0.13  99.331% * 99.8536% (1.00 10.00   3.58  17.13) = 100.000%  kept
          HN    SER   82 - HN    GLN   17  22.95 +/- 5.13   0.501% *  0.0567% (0.57  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    GLN   17  24.41 +/- 4.50   0.168% *  0.0898% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 278 (4.42, 8.66, 110.73 ppm):
    9 chemical-shift based assignments, quality = 0.499, support = 2.1, residual support = 6.15:
      O   HA    GLU-  15 - HN    GLY   16   2.62 +/- 0.30  77.697% * 75.8712% (0.47  10.0   2.05   5.59) =  95.137%  kept
          HA    GLN   17 - HN    GLY   16   4.94 +/- 0.10  12.787% * 23.4989% (0.97   1.0   3.04  17.13) =   4.849%  kept
          HA    SER   13 - HN    GLY   16   8.58 +/- 1.04   5.084% *  0.0759% (0.47   1.0   0.02   0.02) =   0.006%
          HA    SER   37 - HN    GLY   16  11.44 +/- 4.39   1.927% *  0.1545% (0.97   1.0   0.02   0.02) =   0.005%
          HA    LEU   40 - HN    GLY   16  13.07 +/- 4.11   1.443% *  0.0481% (0.30   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    GLY   16  15.40 +/- 3.17   0.582% *  0.1071% (0.67   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    GLY   16  22.86 +/- 4.03   0.184% *  0.1504% (0.94   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLY   16  20.92 +/- 3.80   0.201% *  0.0699% (0.44   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLY   16  27.32 +/- 4.44   0.095% *  0.0241% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 279 (4.00, 8.66, 110.73 ppm):
    10 chemical-shift based assignments, quality = 0.786, support = 0.02, residual support = 0.02:
          HA    VAL   18 - HN    GLY   16   6.71 +/- 0.34  39.027% * 12.6997% (0.90   0.02   0.02) =  47.499%  kept
          HA    LYS+  33 - HN    GLY   16  11.34 +/- 3.60  17.185% * 10.5138% (0.75   0.02   0.02) =  17.316%  kept
          HA    VAL   70 - HN    GLY   16  11.15 +/- 5.03  21.302% *  6.1679% (0.44   0.02   0.02) =  12.592%  kept
          HA    GLN   32 - HN    GLY   16  14.27 +/- 3.80  10.322% *  9.4500% (0.67   0.02   0.02) =   9.348%  kept
          HA    GLU-  29 - HN    GLY   16  15.15 +/- 2.81   4.223% * 12.3380% (0.87   0.02   0.02) =   4.993%  kept
          HB2   SER   82 - HN    GLY   16  24.58 +/- 5.96   3.315% * 13.2768% (0.94   0.02   0.02) =   4.218%  kept
          HA    ALA   88 - HN    GLY   16  26.28 +/- 5.36   1.731% *  9.9899% (0.71   0.02   0.02) =   1.657%  kept
          HA    SER   48 - HN    GLY   16  25.31 +/- 4.62   1.012% * 12.6997% (0.90   0.02   0.02) =   1.232%  kept
          HA    GLN  116 - HN    GLY   16  24.27 +/- 4.14   1.247% *  6.1679% (0.44   0.02   0.02) =   0.737%  kept
          HD2   PRO   52 - HN    GLY   16  27.96 +/- 3.93   0.636% *  6.6964% (0.47   0.02   0.02) =   0.408%  kept
    Distance limit 3.54 A violated in 19 structures by 2.54 A, eliminated.
    Peak unassigned.
 
    Peak 280 (4.42, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.975, support = 5.16, residual support = 82.3:
      O   HA    GLN   17 - HN    GLN   17   2.89 +/- 0.02  53.193% * 95.6063% (0.99  10.0   5.27  84.92) =  96.867%  kept
          HA    GLU-  15 - HN    GLN   17   3.22 +/- 0.43  41.007% *  4.0039% (0.49   1.0   1.71   0.02) =   3.127%  kept
          HA    SER   37 - HN    GLN   17  12.59 +/- 4.26   1.187% *  0.0956% (0.99   1.0   0.02   0.02) =   0.002%
          HA    SER   13 - HN    GLN   17   8.86 +/- 1.07   2.255% *  0.0470% (0.49   1.0   0.02   0.02) =   0.002%
          HA    VAL   42 - HN    GLN   17  14.71 +/- 2.92   0.580% *  0.0663% (0.69   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    GLN   17  13.18 +/- 3.78   1.248% *  0.0298% (0.31   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    GLN   17  21.32 +/- 4.01   0.172% *  0.0931% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLN   17  19.23 +/- 3.96   0.254% *  0.0432% (0.45   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   17  25.70 +/- 4.45   0.104% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 281 (7.45, 6.81, 112.50 ppm):
    8 chemical-shift based assignments, quality = 0.699, support = 1.0, residual support = 84.9:
      O T HE21  GLN   17 - HE22  GLN   17   1.73 +/- 0.00  99.200% * 99.1229% (0.70  10.0 10.00   1.00  84.92) =  99.998%  kept
        T HE21  GLN   17 - HE22  GLN   32  20.29 +/- 4.76   0.264% *  0.5701% (0.40   1.0 10.00   0.02   0.02) =   0.002%
          HN    ALA  124 - HE22  GLN   17  24.25 +/- 6.82   0.181% *  0.0946% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   17  22.58 +/- 5.75   0.163% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   17  23.32 +/- 5.41   0.130% *  0.0135% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   32  30.71 +/- 4.68   0.022% *  0.0499% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   32  33.03 +/- 5.40   0.018% *  0.0544% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   32  31.04 +/- 3.74   0.021% *  0.0078% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 282 (6.82, 7.45, 112.50 ppm):
    5 chemical-shift based assignments, quality = 0.633, support = 1.0, residual support = 84.9:
      O   HE22  GLN   17 - HE21  GLN   17   1.73 +/- 0.00  98.243% * 99.4952% (0.63  10.0   1.00  84.92) =  99.998%  kept
          HE22  GLN   90 - HE21  GLN   17  28.52 +/- 7.03   1.201% *  0.0833% (0.26   1.0   0.02   0.02) =   0.001%
          HE22  GLN  116 - HE21  GLN   17  24.69 +/- 5.94   0.178% *  0.1611% (0.51   1.0   0.02   0.02) =   0.000%
          HE22  GLN   32 - HE21  GLN   17  20.29 +/- 4.76   0.262% *  0.1080% (0.34   1.0   0.02   0.02) =   0.000%
          HD2   HIS  122 - HE21  GLN   17  19.81 +/- 4.44   0.116% *  0.1524% (0.48   1.0   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 284 (4.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.281, support = 3.33, residual support = 21.6:
      O   HA1   GLY   16 - HN    GLN   17   3.23 +/- 0.09  65.994% * 63.2650% (0.22  10.0   3.26  17.13) =  86.180%  kept
          HA    VAL   18 - HN    GLN   17   4.97 +/- 0.27  18.836% * 35.3617% (0.65   1.0   3.85  50.04) =  13.749%  kept
          HA    VAL   70 - HN    GLN   17  10.62 +/- 4.80   5.000% *  0.2835% (1.00   1.0   0.02   0.02) =   0.029%
          HA    LYS+  33 - HN    GLN   17  12.16 +/- 3.62   5.308% *  0.2374% (0.84   1.0   0.02   0.02) =   0.026%
          HB2   SER   37 - HN    GLN   17  11.12 +/- 4.22   3.035% *  0.1495% (0.53   1.0   0.02   0.02) =   0.009%
          HA    GLU-  29 - HN    GLN   17  15.29 +/- 2.46   0.800% *  0.1952% (0.69   1.0   0.02   0.02) =   0.003%
          HA    GLN  116 - HN    GLN   17  22.85 +/- 4.18   0.304% *  0.2835% (1.00   1.0   0.02   0.02) =   0.002%
          HB2   SER   82 - HN    GLN   17  23.76 +/- 4.99   0.454% *  0.1609% (0.57   1.0   0.02   0.02) =   0.002%
          HA    SER   48 - HN    GLN   17  23.69 +/- 4.81   0.268% *  0.0633% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 288 (5.57, 8.93, 131.32 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 2.39, residual support = 5.31:
          HA    LEU   73 - HN    ILE   19   5.01 +/- 3.80 100.000% *100.0000% (0.87   2.39   5.31) = 100.000%  kept
    Distance limit 3.73 A violated in 7 structures by 1.84 A, kept.
 
    Peak 289 (4.01, 8.93, 131.32 ppm):
    9 chemical-shift based assignments, quality = 0.648, support = 4.85, residual support = 22.7:
      O   HA    VAL   18 - HN    ILE   19   2.23 +/- 0.05  91.920% * 91.3194% (0.65  10.0   4.86  22.77) =  99.805%  kept
          HA    VAL   70 - HN    ILE   19   9.59 +/- 3.31   1.967% *  8.1078% (1.00   1.0   1.15   0.13) =   0.190%  kept
          HA    LYS+  33 - HN    ILE   19  11.61 +/- 2.34   1.225% *  0.1179% (0.84   1.0   0.02   0.02) =   0.002%
          HB2   SER   37 - HN    ILE   19  11.31 +/- 3.22   1.625% *  0.0743% (0.53   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    ILE   19  12.31 +/- 1.73   0.676% *  0.0970% (0.69   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - HN    ILE   19   8.23 +/- 0.71   1.961% *  0.0314% (0.22   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    ILE   19  20.18 +/- 3.49   0.262% *  0.1409% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ILE   19  20.07 +/- 3.37   0.166% *  0.0799% (0.57   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   19  19.40 +/- 4.24   0.198% *  0.0314% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 290 (4.17, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 6.71, residual support = 170.5:
      O   HA    ILE   19 - HN    ILE   19   2.91 +/- 0.03  95.963% * 99.7071% (0.87  10.0   6.71 170.53) =  99.997%  kept
          HA    THR   26 - HN    ILE   19  11.03 +/- 1.47   2.148% *  0.0605% (0.53   1.0   0.02   0.02) =   0.001%
          HA    GLU-  25 - HN    ILE   19  14.22 +/- 1.04   0.875% *  0.0744% (0.65   1.0   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    ILE   19  20.12 +/- 2.91   0.352% *  0.1147% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ILE   19  23.20 +/- 4.06   0.320% *  0.0256% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ILE   19  20.80 +/- 3.26   0.342% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 291 (4.17, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.04, residual support = 25.4:
      O   HA    ILE   19 - HN    ALA   20   2.24 +/- 0.06  97.332% * 99.7374% (0.97  10.0   5.04  25.44) =  99.999%  kept
          HA    THR   26 - HN    ALA   20  10.05 +/- 1.51   1.682% *  0.0388% (0.38   1.0   0.02   0.11) =   0.001%
          HA    GLU-  25 - HN    ALA   20  13.26 +/- 1.18   0.539% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    ALA   20  20.40 +/- 3.38   0.176% *  0.1013% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   20  20.59 +/- 2.51   0.144% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   20  24.41 +/- 4.14   0.126% *  0.0140% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 292 (4.63, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.14, residual support = 15.2:
      O   HA    ALA   20 - HN    ALA   20   2.90 +/- 0.03  82.952% * 99.9455% (0.97  10.0   3.14  15.21) =  99.989%  kept
          HA    LEU   71 - HN    ALA   20   8.89 +/- 3.19  17.048% *  0.0545% (0.53   1.0   0.02   0.02) =   0.011%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 293 (8.46, 7.93, 121.01 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 3.66, residual support = 7.87:
        T HN    LYS+  74 - HN    CYS   21   4.10 +/- 1.62  72.258% * 99.2410% (0.76 10.00   3.67   7.87) =  99.963%  kept
        T HN    LYS+  74 - HN    ILE  119  16.96 +/- 3.41   5.424% *  0.3136% (0.24 10.00   0.02   0.02) =   0.024%
          HN    THR   46 - HN    CYS   21  13.89 +/- 2.73   3.238% *  0.1299% (1.00  1.00   0.02   0.02) =   0.006%
          HN    MET   92 - HN    CYS   21  20.01 +/- 2.20   1.042% *  0.1228% (0.95  1.00   0.02   0.02) =   0.002%
          HN    LYS+ 112 - HN    ILE  119  10.55 +/- 0.67  11.606% *  0.0102% (0.08  1.00   0.02   0.02) =   0.002%
          HN    THR   46 - HN    ILE  119  15.51 +/- 2.73   2.632% *  0.0410% (0.32  1.00   0.02   0.02) =   0.002%
          HN    MET   92 - HN    ILE  119  17.93 +/- 2.69   1.745% *  0.0388% (0.30  1.00   0.02   0.02) =   0.001%
          HN    MET   11 - HN    CYS   21  21.64 +/- 3.56   0.924% *  0.0534% (0.41  1.00   0.02   0.02) =   0.001%
          HN    LYS+ 112 - HN    CYS   21  23.90 +/- 3.06   0.868% *  0.0324% (0.25  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ILE  119  34.11 +/- 5.30   0.262% *  0.0169% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 3 structures by 0.60 A, kept.
 
    Peak 294 (4.62, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.41, residual support = 16.1:
      O   HA    ALA   20 - HN    CYS   21   2.25 +/- 0.05  96.458% * 99.8901% (0.95  10.0   3.41  16.08) =  99.999%  kept
          HA    LEU   71 - HN    CYS   21   9.81 +/- 2.05   2.185% *  0.0235% (0.22   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 102 - HN    CYS   21  19.58 +/- 3.94   0.525% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  119  19.13 +/- 3.95   0.413% *  0.0316% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LEU   71 - HN    ILE  119  17.27 +/- 2.71   0.270% *  0.0074% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    ILE  119  21.17 +/- 3.86   0.149% *  0.0114% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 295 (4.22, 7.86, 120.86 ppm):
    4 chemical-shift based assignments, quality = 0.832, support = 3.83, residual support = 41.0:
      O   HA    ASP-  62 - HN    ASP-  62   2.75 +/- 0.05  97.887% * 99.8043% (0.83  10.0   3.83  41.01) =  99.998%  kept
          HA    SER  117 - HN    ASP-  62  13.61 +/- 1.71   1.472% *  0.0751% (0.63   1.0   0.02   0.02) =   0.001%
          HB    THR   26 - HN    ASP-  62  18.56 +/- 2.72   0.447% *  0.1025% (0.85   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ASP-  62  22.83 +/- 2.32   0.194% *  0.0181% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 296 (4.37, 7.86, 120.86 ppm):
    7 chemical-shift based assignments, quality = 0.522, support = 1.5, residual support = 6.48:
          HA    PHE   59 - HN    ASP-  62   3.73 +/- 0.43  83.971% * 92.4913% (0.52   1.50   6.50) =  99.736%  kept
          HA    ILE   56 - HN    ASP-  62   8.62 +/- 1.19   9.680% *  1.2332% (0.52   0.02   0.02) =   0.153%  kept
          HA    ASP- 113 - HN    ASP-  62  14.11 +/- 1.86   1.842% *  2.0287% (0.86   0.02   0.02) =   0.048%
          HA    LEU  123 - HN    ASP-  62  13.60 +/- 1.67   2.219% *  0.9897% (0.42   0.02   0.02) =   0.028%
          HA    LYS+  99 - HN    ASP-  62  18.64 +/- 3.07   1.012% *  1.6281% (0.69   0.02   0.02) =   0.021%
          HA    ASN   35 - HN    ASP-  62  21.25 +/- 2.79   0.635% *  1.3153% (0.56   0.02   0.02) =   0.011%
          HA    TRP   87 - HN    ASP-  62  20.79 +/- 3.00   0.641% *  0.3137% (0.13   0.02   0.02) =   0.003%
    Distance limit 3.93 A violated in 0 structures by 0.08 A, kept.
 
    Peak 297 (7.32, 9.10, 120.75 ppm):
    6 chemical-shift based assignments, quality = 0.686, support = 3.34, residual support = 21.5:
          HN    THR   23 - HN    HIS   22   3.25 +/- 0.65  86.745% * 97.2832% (0.69   3.34  21.48) =  99.892%  kept
          HE3   TRP   27 - HN    HIS   22   8.36 +/- 1.25   6.275% *  0.8457% (1.00   0.02   0.02) =   0.063%
          QD    PHE   55 - HN    HIS   22  21.69 +/- 4.82   2.542% *  0.8457% (1.00   0.02   0.02) =   0.025%
          QE    PHE   95 - HN    HIS   22  16.30 +/- 3.04   1.841% *  0.6155% (0.73   0.02   0.02) =   0.013%
          HN    LEU   67 - HN    HIS   22  15.79 +/- 2.51   0.987% *  0.2616% (0.31   0.02   0.02) =   0.003%
          HN    LYS+  81 - HN    HIS   22  15.56 +/- 3.93   1.611% *  0.1484% (0.18   0.02   0.02) =   0.003%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 298 (4.62, 9.10, 120.75 ppm):
    3 chemical-shift based assignments, quality = 0.943, support = 0.334, residual support = 5.45:
          HA    ALA   20 - HN    HIS   22   4.96 +/- 0.28  76.394% * 96.5684% (0.95   0.34   5.48) =  99.516%  kept
          HA    LEU   71 - HN    HIS   22  12.31 +/- 2.97  18.190% *  1.3552% (0.22   0.02   0.02) =   0.333%  kept
          HA    LYS+ 102 - HN    HIS   22  21.46 +/- 4.81   5.416% *  2.0764% (0.34   0.02   0.02) =   0.152%  kept
    Distance limit 3.95 A violated in 0 structures by 0.91 A, kept.
 
    Peak 299 (8.11, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.685, support = 3.72, residual support = 13.0:
        T HN    THR   26 - HN    THR   23   4.55 +/- 0.19  76.814% * 98.1537% (0.69 10.00   3.73  13.07) =  99.574%  kept
          HN    LEU   80 - HN    THR   23  11.33 +/- 4.79  18.516% *  1.7297% (0.34  1.00   0.71   0.74) =   0.423%  kept
          HN    ALA   34 - HN    THR   23  13.19 +/- 1.27   3.520% *  0.0356% (0.25  1.00   0.02   0.02) =   0.002%
          HN    CYS   53 - HN    THR   23  21.01 +/- 3.71   1.149% *  0.0809% (0.57  1.00   0.02   0.02) =   0.001%
    Distance limit 4.44 A violated in 0 structures by 0.13 A, kept.
 
    Peak 300 (9.10, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.34, residual support = 21.5:
        T HN    HIS   22 - HN    THR   23   3.25 +/- 0.65  89.892% * 99.9047% (0.99 10.00   3.34  21.48) =  99.989%  kept
          HN    ASP-  76 - HN    THR   23   9.32 +/- 2.74  10.108% *  0.0953% (0.95  1.00   0.02   0.02) =   0.011%
    Distance limit 3.55 A violated in 0 structures by 0.06 A, kept.
 
    Peak 301 (8.78, 9.21, 123.27 ppm):
    3 chemical-shift based assignments, quality = 0.977, support = 7.86, residual support = 33.9:
        T HN    GLU-  25 - HN    VAL   24   2.72 +/- 0.19  89.026% * 95.4978% (0.98 10.00   7.89  34.03) =  99.515%  kept
          HN    ASN   28 - HN    VAL   24   5.90 +/- 0.28   9.375% *  4.4057% (0.41  1.00   2.20  14.83) =   0.483%  kept
          HN    ASP-  44 - HN    VAL   24  12.98 +/- 3.08   1.599% *  0.0966% (0.99  1.00   0.02   0.02) =   0.002%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 302 (9.21, 8.78, 120.28 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 7.89, residual support = 34.0:
        T HN    VAL   24 - HN    GLU-  25   2.72 +/- 0.19 100.000% *100.0000% (1.00 10.00   7.89  34.03) = 100.000%  kept
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 303 (8.12, 8.78, 120.28 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.45, residual support = 31.7:
        T HN    THR   26 - HN    GLU-  25   2.89 +/- 0.08  99.444% * 99.9840% (0.97 10.00   5.45  31.66) = 100.000%  kept
          HN    LEU   71 - HN    GLU-  25  17.84 +/- 1.94   0.556% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 304 (8.78, 8.12, 116.43 ppm):
    3 chemical-shift based assignments, quality = 0.966, support = 5.4, residual support = 30.9:
        T HN    GLU-  25 - HN    THR   26   2.89 +/- 0.08  72.395% * 93.4729% (0.98 10.00   5.45  31.66) =  97.513%  kept
          HN    ASN   28 - HN    THR   26   4.05 +/- 0.21  26.820% *  6.4326% (0.41  1.00   3.28   0.47) =   2.486%  kept
          HN    ASP-  44 - HN    THR   26  14.50 +/- 2.63   0.786% *  0.0945% (0.99  1.00   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 305 (7.74, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.45, residual support = 22.7:
          HN    TRP   27 - HN    THR   26   2.43 +/- 0.11  96.633% * 98.4529% (0.99   4.45  22.65) =  99.993%  kept
          HE3   TRP   87 - HN    THR   26  16.98 +/- 4.59   0.924% *  0.1676% (0.38   0.02   0.02) =   0.002%
          HD1   TRP   87 - HN    THR   26  16.23 +/- 4.02   0.546% *  0.2708% (0.61   0.02   0.02) =   0.002%
          HN    THR   39 - HN    THR   26  16.72 +/- 1.84   0.352% *  0.2889% (0.65   0.02   0.02) =   0.001%
          HN    ALA   61 - HN    THR   26  18.52 +/- 2.82   0.325% *  0.3067% (0.69   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    THR   26  21.35 +/- 3.01   0.167% *  0.3413% (0.76   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    THR   26  15.50 +/- 0.82   0.385% *  0.1113% (0.25   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    THR   26  20.08 +/- 4.60   0.668% *  0.0604% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 306 (7.34, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.919, support = 3.66, residual support = 13.8:
          HN    THR   23 - HN    THR   26   4.55 +/- 0.19  64.224% * 66.9086% (0.97   3.73  13.07) =  90.535%  kept
          HE3   TRP   27 - HN    THR   26   7.64 +/- 0.26  13.872% * 29.2123% (0.49   3.23  22.65) =   8.538%  kept
          HD2   HIS   22 - HN    THR   26   8.09 +/- 1.41  15.764% *  2.6992% (0.45   0.32   0.02) =   0.897%  kept
          HN    LEU   67 - HN    THR   26  18.97 +/- 3.04   1.607% *  0.3428% (0.92   0.02   0.02) =   0.012%
          QE    PHE   95 - HN    THR   26  18.13 +/- 2.30   1.355% *  0.3513% (0.95   0.02   0.02) =   0.010%
          QD    PHE   55 - HN    THR   26  24.36 +/- 4.10   0.795% *  0.2103% (0.57   0.02   0.02) =   0.004%
          HD1   TRP   49 - HN    THR   26  23.70 +/- 4.13   0.704% *  0.2253% (0.61   0.02   0.02) =   0.003%
          HD21  ASN   35 - HN    THR   26  15.67 +/- 1.08   1.678% *  0.0503% (0.14   0.02   0.02) =   0.002%
    Distance limit 4.50 A violated in 0 structures by 0.06 A, kept.
 
    Peak 307 (7.32, 7.73, 123.24 ppm):
    12 chemical-shift based assignments, quality = 0.862, support = 4.38, residual support = 57.5:
          HE3   TRP   27 - HN    TRP   27   5.26 +/- 0.24  28.206% * 70.6274% (1.00   5.33 100.64) =  56.525%  kept
          HN    THR   23 - HN    TRP   27   4.18 +/- 0.39  53.431% * 28.6587% (0.69   3.14   1.33) =  43.449%  kept
          QE    PHE   95 - HN    TRP   27  16.44 +/- 2.13   1.298% *  0.1928% (0.73   0.02   0.02) =   0.007%
          QD    PHE   55 - HN    TRP   27  23.01 +/- 3.70   0.538% *  0.2650% (1.00   0.02   0.02) =   0.004%
          HN    LYS+  81 - HN    TRP   27  15.51 +/- 5.44   2.996% *  0.0465% (0.18   0.02   0.02) =   0.004%
          QE    PHE   95 - HN    ALA   91   9.61 +/- 1.40   5.532% *  0.0238% (0.09   0.02   0.02) =   0.004%
          HN    LEU   67 - HN    TRP   27  17.19 +/- 2.86   1.536% *  0.0820% (0.31   0.02   0.02) =   0.004%
          QD    PHE   55 - HN    ALA   91  15.72 +/- 2.50   1.237% *  0.0327% (0.12   0.02   0.02) =   0.001%
          HE3   TRP   27 - HN    ALA   91  17.49 +/- 2.23   0.877% *  0.0327% (0.12   0.02   0.02) =   0.001%
          HN    THR   23 - HN    ALA   91  19.12 +/- 2.73   0.792% *  0.0225% (0.08   0.02   0.02) =   0.001%
          HN    LYS+  81 - HN    ALA   91  11.94 +/- 2.23   3.058% *  0.0057% (0.02   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    ALA   91  20.80 +/- 1.72   0.497% *  0.0101% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.06 A, kept.
 
    Peak 308 (8.12, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.45, residual support = 22.7:
        T HN    THR   26 - HN    TRP   27   2.43 +/- 0.11  98.803% * 99.8587% (0.97 10.00   4.45  22.65) = 100.000%  kept
        T HN    THR   26 - HN    ALA   91  21.35 +/- 3.01   0.171% *  0.1234% (0.12 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    TRP   27  14.31 +/- 1.93   0.792% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ALA   91  20.99 +/- 3.31   0.234% *  0.0020% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 309 (8.62, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.117, support = 6.75, residual support = 32.3:
        T HN    GLN   90 - HN    ALA   91   2.13 +/- 0.39  89.154% * 91.0962% (0.12 10.00   6.75  32.36) =  99.958%  kept
        T HN    GLN   90 - HN    TRP   27  18.72 +/- 2.66   0.208% *  7.3725% (0.95 10.00   0.02   0.02) =   0.019%
          HN    ILE  103 - HN    TRP   27  18.34 +/- 4.87   1.685% *  0.7794% (1.00  1.00   0.02   0.02) =   0.016%
          HN    GLY  109 - HN    ALA   91   9.08 +/- 2.59   7.052% *  0.0507% (0.07  1.00   0.02   0.02) =   0.004%
          HN    SER   82 - HN    TRP   27  15.71 +/- 5.81   0.627% *  0.1735% (0.22  1.00   0.02   0.02) =   0.001%
          HN    GLY  109 - HN    TRP   27  23.01 +/- 1.94   0.093% *  0.4100% (0.53  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.21 +/- 1.88   0.995% *  0.0214% (0.03  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  18.67 +/- 1.46   0.185% *  0.0963% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 4.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 310 (8.80, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.981, support = 4.89, residual support = 46.5:
        T HN    ASN   28 - HN    TRP   27   2.78 +/- 0.08  72.993% * 94.7419% (0.99 10.00   4.93  47.30) =  98.315%  kept
          HN    GLU-  25 - HN    TRP   27   4.09 +/- 0.16  23.494% *  5.0402% (0.38  1.00   2.81   0.63) =   1.683%  kept
          HN    ASP-  44 - HN    TRP   27  12.47 +/- 2.43   1.098% *  0.0393% (0.41  1.00   0.02   0.02) =   0.001%
        T HN    ASN   28 - HN    ALA   91  20.17 +/- 2.85   0.229% *  0.1171% (0.12 10.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    TRP   27  18.61 +/- 2.06   0.310% *  0.0465% (0.49  1.00   0.02   0.02) =   0.000%
          HN    ASP-  44 - HN    ALA   91  11.69 +/- 1.57   1.466% *  0.0049% (0.05  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    ALA   91  20.39 +/- 3.46   0.241% *  0.0044% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    ALA   91  23.05 +/- 2.62   0.168% *  0.0057% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 311 (7.18, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 1.97, residual support = 100.6:
      O   HD1   TRP   27 - HE1   TRP   27   2.64 +/- 0.00  96.993% * 99.6382% (0.76  10.0   1.97 100.64) =  99.996%  kept
          HE21  GLN   30 - HE1   TRP   27  10.51 +/- 1.32   1.871% *  0.1311% (0.99   1.0   0.02   0.02) =   0.003%
          QD    PHE   59 - HE1   TRP   27  17.12 +/- 3.65   0.898% *  0.1011% (0.76   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HE1   TRP   27  23.11 +/- 3.55   0.239% *  0.1296% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 312 (6.73, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 1.46, residual support = 100.6:
      O   HZ2   TRP   27 - HE1   TRP   27   2.85 +/- 0.00  94.839% * 99.8511% (0.45  10.0   1.46 100.64) =  99.992%  kept
          HZ    PHE   72 - HE1   TRP   27  13.68 +/- 3.24   5.161% *  0.1489% (0.49   1.0   0.02   0.02) =   0.008%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 313 (8.30, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.936, support = 4.81, residual support = 29.3:
          HN    GLU-  29 - HN    ASN   28   2.85 +/- 0.12  68.367% * 56.4072% (0.98   4.88  32.53) =  75.164%  kept
          HN    GLN   30 - HN    ASN   28   3.78 +/- 0.12  29.442% * 43.2722% (0.80   4.59  19.46) =  24.832%  kept
          HN    ASP-  86 - HN    ASN   28  16.37 +/- 5.29   0.679% *  0.2044% (0.87   0.02   0.02) =   0.003%
          HN    GLU-  14 - HN    ASN   28  18.24 +/- 3.03   0.489% *  0.0525% (0.22   0.02   0.02) =   0.001%
          HN    VAL   18 - HN    ASN   28  15.22 +/- 1.55   0.545% *  0.0319% (0.14   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    ASN   28  21.34 +/- 5.37   0.477% *  0.0319% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 314 (7.74, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.93, residual support = 47.3:
          HN    TRP   27 - HN    ASN   28   2.78 +/- 0.08  92.381% * 98.6012% (0.99   4.93  47.30) =  99.985%  kept
          HE3   TRP   87 - HN    ASN   28  14.99 +/- 4.75   2.377% *  0.1515% (0.38   0.02   0.02) =   0.004%
          HN    ALA   61 - HN    ASN   28  17.79 +/- 3.24   1.150% *  0.2773% (0.69   0.02   0.02) =   0.004%
          HD1   TRP   87 - HN    ASN   28  14.87 +/- 4.39   1.054% *  0.2449% (0.61   0.02   0.02) =   0.003%
          HN    THR   39 - HN    ASN   28  14.15 +/- 1.41   0.807% *  0.2612% (0.65   0.02   0.02) =   0.002%
          HN    GLU-  36 - HN    ASN   28  12.98 +/- 0.49   0.932% *  0.1007% (0.25   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    ASN   28  20.17 +/- 2.85   0.292% *  0.3086% (0.76   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HN    ASN   28  17.46 +/- 4.56   1.008% *  0.0546% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 315 (7.17, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.418, support = 4.98, residual support = 46.8:
          HD1   TRP   27 - HN    ASN   28   2.89 +/- 0.53  92.012% * 78.8731% (0.41   5.06  47.30) =  98.077%  kept
          HE21  GLN   30 - HN    ASN   28   8.10 +/- 1.41   7.052% * 20.1159% (0.76   0.69  19.46) =   1.917%  kept
          HH2   TRP   49 - HN    ASN   28  25.57 +/- 3.87   0.291% *  0.6995% (0.92   0.02   0.02) =   0.003%
          QD    PHE   59 - HN    ASN   28  18.93 +/- 3.34   0.645% *  0.3115% (0.41   0.02   0.02) =   0.003%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 317 (6.97, 7.61, 111.81 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 2.59, residual support = 94.6:
      O   HD22  ASN   28 - HD21  ASN   28   1.73 +/- 0.00  99.365% * 99.9543% (0.98  10.0   2.59  94.63) = 100.000%  kept
          QE    PHE   72 - HD21  ASN   28  12.72 +/- 2.41   0.635% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 318 (4.18, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.996, support = 1.36, residual support = 3.8:
          HA    GLU-  25 - HD21  ASN   28   4.80 +/- 0.17  81.682% * 96.8230% (1.00   1.37   3.81) =  99.778%  kept
          HA    SER   82 - HD21  ASN   28  15.95 +/- 7.50  10.799% *  0.8036% (0.57   0.02   0.02) =   0.109%  kept
          HA    ILE   19 - HD21  ASN   28  13.86 +/- 0.98   3.836% *  1.3427% (0.95   0.02   0.02) =   0.065%
          HA    CYS   53 - HD21  ASN   28  22.42 +/- 4.06   3.683% *  1.0307% (0.73   0.02   0.02) =   0.048%
    Distance limit 4.41 A violated in 0 structures by 0.38 A, kept.
 
    Peak 319 (4.14, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.826, support = 5.61, residual support = 90.2:
      O   HA    ASN   28 - HN    ASN   28   2.72 +/- 0.05  74.706% * 85.5124% (0.84  10.0   5.68  94.63) =  95.308%  kept
          HA    THR   26 - HN    ASN   28   4.13 +/- 0.23  22.373% * 14.0466% (0.65   1.0   4.24   0.47) =   4.689%  kept
          HA    ALA   34 - HN    ASN   28  11.23 +/- 0.91   1.177% *  0.0988% (0.97   1.0   0.02   0.02) =   0.002%
          HA1   GLY  101 - HN    ASN   28  16.62 +/- 4.93   0.708% *  0.1021% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ARG+  54 - HN    ASN   28  23.68 +/- 5.02   0.654% *  0.0316% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASN   28  23.00 +/- 3.06   0.152% *  0.0888% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASN   28  26.26 +/- 3.71   0.116% *  0.0968% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASN   28  28.63 +/- 5.56   0.114% *  0.0228% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 320 (4.50, 7.73, 123.24 ppm):
    10 chemical-shift based assignments, quality = 0.896, support = 4.73, residual support = 93.7:
      O   HA    TRP   27 - HN    TRP   27   2.74 +/- 0.02  52.855% * 90.4766% (0.97  10.0   4.93 100.64) =  92.075%  kept
      O   HA    ALA   91 - HN    ALA   91   2.91 +/- 0.03  44.369% *  9.2758% (0.10  10.0   2.45  12.80) =   7.924%  kept
          HA    ALA   91 - HN    TRP   27  21.46 +/- 2.67   0.125% *  0.0751% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.76 +/- 2.54   0.124% *  0.0606% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  25.19 +/- 3.90   0.108% *  0.0644% (0.69   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ALA   91  12.40 +/- 1.96   0.777% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ALA   91  15.90 +/- 3.54   0.506% *  0.0080% (0.08   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    ALA   91  13.25 +/- 3.41   0.895% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  19.59 +/- 2.47   0.167% *  0.0112% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    TRP   27  26.24 +/- 3.31   0.072% *  0.0186% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 321 (4.22, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.45, residual support = 22.7:
          HB    THR   26 - HN    TRP   27   2.90 +/- 0.19  95.062% * 99.0039% (0.99   4.45  22.65) =  99.994%  kept
          HA    ASP-  62 - HN    TRP   27  17.76 +/- 3.26   0.658% *  0.4331% (0.97   0.02   0.02) =   0.003%
          HA    SER  117 - HN    TRP   27  25.70 +/- 4.73   0.314% *  0.3259% (0.73   0.02   0.02) =   0.001%
          HA    SER   82 - HN    TRP   27  17.23 +/- 5.53   1.158% *  0.0786% (0.18   0.02   0.02) =   0.001%
          HA    ASP-  62 - HN    ALA   91  19.17 +/- 3.23   0.476% *  0.0535% (0.12   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   91  11.92 +/- 1.56   1.675% *  0.0097% (0.02   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   91  19.65 +/- 2.90   0.382% *  0.0403% (0.09   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA   91  21.75 +/- 2.74   0.275% *  0.0550% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 322 (4.77, 8.12, 116.43 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 0.02, residual support = 0.02:
          HA    ASP- 105 - HN    THR   26  22.54 +/- 4.16 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 4.44 A violated in 20 structures by 18.11 A, eliminated.
    Peak unassigned.
 
    Peak 323 (4.20, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.339, support = 4.63, residual support = 33.3:
      O   HB    THR   26 - HN    THR   26   2.17 +/- 0.09  80.713% * 21.3631% (0.15  10.0   4.16  34.72) =  55.240%  kept
      O   HA    GLU-  25 - HN    THR   26   3.61 +/- 0.03  17.822% * 78.3875% (0.57  10.0   5.22  31.66) =  44.757%  kept
          HA    SER   82 - HN    THR   26  17.92 +/- 5.72   0.317% *  0.1381% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ILE   19 - HN    THR   26  10.92 +/- 1.19   0.808% *  0.0472% (0.34   1.0   0.02   0.02) =   0.001%
          HA    ASP-  62 - HN    THR   26  19.29 +/- 3.53   0.233% *  0.0427% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    THR   26  23.66 +/- 3.76   0.108% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 324 (4.82, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.784, support = 3.07, residual support = 6.39:
          HA    THR   23 - HN    GLU-  25   3.94 +/- 0.31  42.924% * 59.7139% (0.98   2.79   6.40) =  56.900%  kept
          HB    THR   23 - HN    GLU-  25   3.76 +/- 0.56  49.151% * 39.4527% (0.53   3.44   6.40) =  43.047%  kept
          HA    LEU   80 - HN    GLU-  25  13.57 +/- 7.07   6.356% *  0.2995% (0.69   0.02   0.02) =   0.042%
          HA    ASP-  78 - HN    GLU-  25  16.56 +/- 3.90   1.024% *  0.4125% (0.95   0.02   0.02) =   0.009%
          HA    ASP- 105 - HN    GLU-  25  22.49 +/- 4.60   0.546% *  0.1212% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.64 A violated in 0 structures by 0.04 A, kept.
 
    Peak 325 (4.19, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.86, residual support = 127.4:
      O   HA    GLU-  25 - HN    GLU-  25   2.70 +/- 0.03  97.430% * 99.7793% (0.87  10.0   5.86 127.38) =  99.998%  kept
          HA    SER   82 - HN    GLU-  25  16.48 +/- 6.75   1.342% *  0.1032% (0.90   1.0   0.02   0.02) =   0.001%
          HA    ILE   19 - HN    GLU-  25  13.17 +/- 1.08   0.971% *  0.0744% (0.65   1.0   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    GLU-  25  23.37 +/- 3.81   0.258% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 326 (4.83, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.714, support = 5.37, residual support = 25.7:
      O   HA    THR   23 - HN    VAL   24   2.29 +/- 0.16  71.284% * 90.8755% (0.73  10.0   5.38  25.78) =  97.559%  kept
          HB    THR   23 - HN    VAL   24   3.74 +/- 0.42  20.362% *  7.3810% (0.22   1.0   5.30  25.78) =   2.263%  kept
          HA    LEU   80 - HN    VAL   24  11.71 +/- 7.28   7.336% *  1.6008% (0.34   1.0   0.75   4.33) =   0.177%  kept
          HA    ASP-  78 - HN    VAL   24  14.43 +/- 4.28   0.587% *  0.1208% (0.97   1.0   0.02   0.02) =   0.001%
          HA    PHE   45 - HN    VAL   24  14.08 +/- 3.18   0.431% *  0.0219% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 327 (4.80, 7.33, 104.59 ppm):
    5 chemical-shift based assignments, quality = 0.759, support = 3.39, residual support = 19.0:
      O   HA    THR   23 - HN    THR   23   2.72 +/- 0.21  69.397% * 36.7903% (0.61  10.0   3.04  19.05) =  61.129%  kept
      O   HB    THR   23 - HN    THR   23   3.79 +/- 0.17  26.701% * 60.5223% (1.00  10.0   3.95  19.05) =  38.691%  kept
          HA    LEU   80 - HN    THR   23  12.47 +/- 5.53   2.859% *  2.6127% (0.95   1.0   0.91   0.74) =   0.179%  kept
          HA    ASP- 105 - HN    THR   23  21.29 +/- 4.37   0.310% *  0.0560% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    THR   23  14.21 +/- 2.87   0.733% *  0.0187% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 328 (4.64, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.751, support = 0.02, residual support = 0.119:
          HA    ALA   20 - HN    THR   23   6.09 +/- 0.51  79.972% * 46.5057% (0.73   0.02   0.15) =  77.636%  kept
          HA    LEU   71 - HN    THR   23  12.99 +/- 2.52  20.028% * 53.4943% (0.84   0.02   0.02) =  22.364%  kept
    Distance limit 3.98 A violated in 18 structures by 1.94 A, eliminated.
    Peak unassigned.
 
    Peak 329 (4.22, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 2.18, residual support = 13.0:
          HB    THR   26 - HN    THR   23   3.98 +/- 0.22  92.144% * 92.1434% (0.99   2.19  13.07) =  99.685%  kept
          HA    ASP-  62 - HN    THR   23  16.11 +/- 3.29   3.545% *  7.0915% (0.97   0.17   0.02) =   0.295%  kept
          HA    SER  117 - HN    THR   23  24.71 +/- 5.51   2.210% *  0.6164% (0.73   0.02   0.02) =   0.016%
          HA    SER   82 - HN    THR   23  16.72 +/- 4.68   2.101% *  0.1487% (0.18   0.02   0.02) =   0.004%
    Distance limit 3.71 A violated in 0 structures by 0.29 A, kept.
 
    Peak 330 (7.61, 6.97, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 2.59, residual support = 94.6:
      O   HD21  ASN   28 - HD22  ASN   28   1.73 +/- 0.00  98.132% * 99.7763% (0.98  10.0   2.59  94.63) =  99.999%  kept
          HZ2   TRP   87 - HD22  ASN   28  11.88 +/- 6.25   1.098% *  0.1009% (0.99   1.0   0.02   0.02) =   0.001%
          QE    PHE   60 - HD22  ASN   28  13.77 +/- 2.05   0.305% *  0.0495% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HD22  ASN   28  17.62 +/- 3.82   0.290% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HD22  ASN   28  22.93 +/- 4.17   0.176% *  0.0314% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 331 (8.79, 8.29, 121.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.88, residual support = 32.5:
        T HN    ASN   28 - HN    GLU-  29   2.85 +/- 0.12  91.143% * 99.0119% (0.76 10.00   4.88  32.53) =  99.925%  kept
          HN    GLU-  25 - HN    GLU-  29   6.51 +/- 0.22   7.768% *  0.8634% (0.73  1.00   0.18   0.02) =   0.074%
          HN    ASP-  44 - HN    GLU-  29  14.96 +/- 2.27   0.770% *  0.0990% (0.76  1.00   0.02   0.02) =   0.001%
          HN    ASN   69 - HN    GLU-  29  19.83 +/- 2.22   0.318% *  0.0256% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 332 (7.84, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 7.26, residual support = 51.6:
        T HN    LEU   31 - HN    GLN   30   2.55 +/- 0.12  96.903% * 98.4622% (0.73 10.00   7.26  51.62) =  99.997%  kept
        T HN    PHE   55 - HN    GLN   30  25.80 +/- 4.16   0.193% *  1.3086% (0.97 10.00   0.02   0.02) =   0.003%
          HN    ASP-  62 - HN    GLN   30  18.76 +/- 2.71   0.323% *  0.0877% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   30  19.44 +/- 3.57   0.294% *  0.0713% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   30  25.23 +/- 4.27   0.267% *  0.0419% (0.31  1.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LYS+  99  14.46 +/- 4.44   1.088% *  0.0065% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    LYS+  99  17.07 +/- 2.71   0.380% *  0.0047% (0.03  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    LYS+  99  19.20 +/- 2.67   0.307% *  0.0058% (0.04  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LYS+  99  24.87 +/- 2.53   0.118% *  0.0086% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    LYS+  99  25.07 +/- 2.95   0.128% *  0.0027% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 334 (7.85, 8.06, 119.69 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.86, residual support = 44.5:
        T HN    LEU   31 - HN    GLN   32   2.68 +/- 0.18  94.896% * 99.0995% (0.98 10.00   5.86  44.48) =  99.995%  kept
        T HN    PHE   55 - HN    GLN   32  27.58 +/- 4.59   0.400% *  0.6945% (0.69 10.00   0.02   0.02) =   0.003%
          HN    LYS+  38 - HN    GLN   32   8.99 +/- 0.90   3.337% *  0.0225% (0.22  1.00   0.02   0.02) =   0.001%
          HN    ARG+  54 - HN    GLN   32  27.17 +/- 4.77   0.582% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   32  20.55 +/- 2.97   0.390% *  0.0956% (0.95  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   32  20.48 +/- 4.42   0.395% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 335 (6.81, 7.57, 112.27 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 1.0, residual support = 44.1:
      O   HE22  GLN   32 - HE21  GLN   32   1.73 +/- 0.00  98.214% * 99.4510% (0.87  10.0   1.00  44.09) =  99.997%  kept
          HE22  GLN   90 - HE21  GLN   32  28.64 +/- 6.77   1.115% *  0.1752% (0.76   1.0   0.02   0.02) =   0.002%
          HE22  GLN   17 - HE21  GLN   32  19.85 +/- 4.84   0.620% *  0.2248% (0.98   1.0   0.02   0.02) =   0.001%
          HD2   HIS  122 - HE21  GLN   32  27.34 +/- 4.69   0.033% *  0.0708% (0.31   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   32  32.78 +/- 3.77   0.018% *  0.0782% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 336 (7.58, 6.80, 112.28 ppm):
    15 chemical-shift based assignments, quality = 0.835, support = 1.0, residual support = 44.1:
      O T HE21  GLN   32 - HE22  GLN   32   1.73 +/- 0.00  96.880% * 98.9152% (0.83  10.0 10.00   1.00  44.09) =  99.994%  kept
        T HE21  GLN   32 - HE22  GLN   90  28.64 +/- 6.77   1.100% *  0.3770% (0.32   1.0 10.00   0.02   0.02) =   0.004%
        T HE21  GLN   32 - HE22  GLN   17  19.85 +/- 4.84   0.612% *  0.1186% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HN    ALA   84 - HE22  GLN   90  10.03 +/- 1.27   0.600% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   32  23.35 +/- 5.80   0.071% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   90  17.77 +/- 2.80   0.118% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   32  31.59 +/- 4.73   0.044% *  0.0860% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   32  32.40 +/- 4.26   0.028% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   90  20.53 +/- 4.18   0.087% *  0.0328% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   32  25.18 +/- 2.95   0.039% *  0.0718% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   17  15.97 +/- 3.65   0.197% *  0.0086% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   90  22.59 +/- 2.93   0.053% *  0.0274% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   17  22.66 +/- 4.14   0.090% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   17  23.78 +/- 4.13   0.051% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   17  27.76 +/- 4.20   0.030% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 338 (7.75, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.9, support = 5.64, residual support = 48.7:
          HN    GLU-  36 - HN    ASN   35   2.53 +/- 0.19  82.217% * 75.6704% (0.90   5.87  51.53) =  94.559%  kept
          HN    THR   39 - HN    ASN   35   5.59 +/- 0.86  15.101% * 23.6760% (0.97   1.71   0.11) =   5.434%  kept
          HD1   TRP   87 - HN    ASN   35  19.69 +/- 4.82   0.618% *  0.2820% (0.98   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HN    ASN   35  15.37 +/- 6.40   0.735% *  0.2089% (0.73   0.02   0.02) =   0.002%
          HN    TRP   27 - HN    ASN   35  12.35 +/- 0.82   0.803% *  0.1183% (0.41   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    ASN   35  24.58 +/- 4.23   0.526% *  0.0444% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 339 (6.53, 7.37, 110.13 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 2.0, residual support = 54.7:
      O T HD22  ASN   35 - HD21  ASN   35   1.73 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   2.00  54.66) = 100.000%  kept
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 340 (4.38, 8.36, 120.50 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.55, residual support = 54.7:
      O   HA    ASN   35 - HN    ASN   35   2.79 +/- 0.07  88.950% * 99.5029% (0.98  10.0   4.55  54.66) =  99.994%  kept
          HA    LYS+  99 - HN    ASN   35  12.68 +/- 5.96   2.191% *  0.0910% (0.90   1.0   0.02   0.02) =   0.002%
          HA    LEU   40 - HN    ASN   35   8.79 +/- 0.77   3.118% *  0.0494% (0.49   1.0   0.02   0.02) =   0.002%
          HA    GLU-  15 - HN    ASN   35  12.51 +/- 3.53   3.167% *  0.0313% (0.31   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    ASN   35  16.64 +/- 4.36   1.904% *  0.0313% (0.31   1.0   0.02   0.02) =   0.001%
          HA    ILE   56 - HN    ASN   35  26.47 +/- 3.94   0.185% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASN   35  26.03 +/- 5.14   0.177% *  0.1013% (1.00   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ASN   35  23.00 +/- 3.22   0.218% *  0.0346% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ASN   35  29.43 +/- 3.05   0.089% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 342 (7.19, 6.64, 111.61 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 2.4, residual support = 159.2:
      O   HE21  GLN   30 - HE22  GLN   30   1.73 +/- 0.00  98.539% * 99.6989% (0.90  10.0   2.40 159.23) =  99.998%  kept
          HD1   TRP   27 - HE22  GLN   30   8.15 +/- 1.23   1.277% *  0.1102% (0.99   1.0   0.02   0.02) =   0.001%
          QD    PHE   59 - HE22  GLN   30  16.72 +/- 2.34   0.139% *  0.1102% (0.99   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE22  GLN   30  25.23 +/- 3.85   0.046% *  0.0807% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 343 (6.64, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.4, residual support = 159.2:
      O T HE22  GLN   30 - HE21  GLN   30   1.73 +/- 0.00  99.719% * 99.8775% (0.92  10.0 10.00   2.40 159.23) = 100.000%  kept
          HD22  ASN   69 - HE21  GLN   30  15.02 +/- 2.99   0.228% *  0.0656% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HE21  GLN   30  23.46 +/- 3.61   0.053% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 344 (4.46, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.611, support = 0.02, residual support = 0.02:
          HA    GLN   90 - HN    GLN   30  21.25 +/- 3.63   5.300% * 25.0767% (0.97   0.02   0.02) =  28.388%  kept
          HA    VAL   42 - HN    GLN   30  12.50 +/- 1.84  19.804% *  6.4793% (0.25   0.02   0.02) =  27.405%  kept
          HA    ALA  110 - HN    GLN   30  26.15 +/- 3.44   2.394% * 25.9267% (1.00   0.02   0.02) =  13.259%  kept
          HA    PHE   55 - HN    GLN   30  26.67 +/- 4.70   2.711% * 21.7040% (0.84   0.02   0.02) =  12.568%  kept
          HA    VAL  107 - HN    GLN   30  22.47 +/- 2.21   3.136% *  8.8635% (0.34   0.02   0.02) =   5.937%  kept
          HA    ALA   91 - HN    GLN   30  23.50 +/- 3.13   3.088% *  5.7850% (0.22   0.02   0.02) =   3.815%  kept
          HA    VAL   42 - HN    LYS+  99   9.93 +/- 4.56  39.039% *  0.4257% (0.02   0.02   0.02) =   3.549%  kept
          HA    VAL  107 - HN    LYS+  99  14.00 +/- 0.75  11.927% *  0.5823% (0.02   0.02   0.02) =   1.483%  kept
          HA    GLN   90 - HN    LYS+  99  20.40 +/- 1.71   4.012% *  1.6475% (0.06   0.02   0.02) =   1.412%  kept
          HA    ALA  110 - HN    LYS+  99  20.61 +/- 1.71   3.691% *  1.7034% (0.07   0.02   0.02) =   1.343%  kept
          HA    PHE   55 - HN    LYS+  99  25.37 +/- 2.85   1.984% *  1.4259% (0.05   0.02   0.02) =   0.604%  kept
          HA    ALA   91 - HN    LYS+  99  21.97 +/- 0.86   2.913% *  0.3801% (0.01   0.02   0.02) =   0.236%  kept
    Distance limit 4.32 A violated in 20 structures by 3.88 A, eliminated.
    Peak unassigned.
 
    Peak 346 (8.09, 7.95, 120.58 ppm):
    4 chemical-shift based assignments, quality = 0.787, support = 4.71, residual support = 37.8:
          HN    ALA   34 - HN    LYS+  33   2.41 +/- 0.08  57.184% * 79.2754% (0.90   4.61  42.00) =  84.242%  kept
          HN    GLN   32 - HN    LYS+  33   2.68 +/- 0.16  42.447% * 19.9740% (0.20   5.26  15.25) =  15.755%  kept
          HN    LEU   80 - HN    LYS+  33  19.42 +/- 4.66   0.240% *  0.3703% (0.97   0.02   0.02) =   0.002%
          HN    CYS   53 - HN    LYS+  33  27.39 +/- 4.27   0.129% *  0.3803% (0.99   0.02   0.02) =   0.001%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 347 (7.36, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 54.7:
      O   HD21  ASN   35 - HD22  ASN   35   1.73 +/- 0.00  99.607% * 99.5403% (0.73  10.0   2.00  54.66) = 100.000%  kept
          HN    LEU   67 - HD22  ASN   35  20.67 +/- 3.75   0.109% *  0.0995% (0.73   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HD22  ASN   35  20.32 +/- 2.18   0.070% *  0.1368% (1.00   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HD22  ASN   35  30.32 +/- 4.91   0.042% *  0.1344% (0.98   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HD22  ASN   35  18.49 +/- 1.70   0.090% *  0.0468% (0.34   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HD22  ASN   35  20.75 +/- 3.06   0.082% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 348 (8.36, 7.76, 119.36 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 5.87, residual support = 51.5:
        T HN    ASN   35 - HN    GLU-  36   2.53 +/- 0.19  98.843% * 99.7986% (0.99 10.00   5.87  51.53) =  99.999%  kept
        T HN    LYS+  99 - HN    GLU-  36  16.15 +/- 5.70   0.664% *  0.1363% (0.14 10.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    GLU-  36  17.57 +/- 4.45   0.493% *  0.0651% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 349 (7.74, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.433, support = 4.05, residual support = 12.2:
          HN    GLU-  36 - HN    SER   37   2.57 +/- 0.15  68.886% * 31.6300% (0.25   4.45  18.97) =  53.872%  kept
          HN    THR   39 - HN    SER   37   3.50 +/- 0.21  28.109% * 66.3396% (0.65   3.60   4.22) =  46.106%  kept
          HD1   TRP   87 - HN    SER   37  21.43 +/- 5.15   1.038% *  0.3460% (0.61   0.02   0.02) =   0.009%
          HN    TRP   27 - HN    SER   37  14.84 +/- 1.09   0.370% *  0.5654% (0.99   0.02   0.02) =   0.005%
          HE3   TRP   87 - HN    SER   37  20.17 +/- 5.33   0.724% *  0.2141% (0.38   0.02   0.02) =   0.004%
          HN    ALA   91 - HN    SER   37  26.15 +/- 4.06   0.197% *  0.4359% (0.76   0.02   0.02) =   0.002%
          HN    ALA   61 - HN    SER   37  20.42 +/- 2.62   0.180% *  0.3918% (0.69   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HN    SER   37  16.53 +/- 6.83   0.496% *  0.0772% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 350 (7.74, 7.88, 117.58 ppm):
    8 chemical-shift based assignments, quality = 0.91, support = 4.96, residual support = 21.1:
          HN    THR   39 - HN    LYS+  38   2.73 +/- 0.12  64.962% * 80.1698% (0.95   5.27  22.99) =  90.615%  kept
          HN    GLU-  36 - HN    LYS+  38   3.62 +/- 0.26  28.492% * 18.8804% (0.57   2.07   2.48) =   9.360%  kept
          HD1   TRP   87 - HN    LYS+  38  20.99 +/- 5.60   3.781% *  0.2972% (0.92   0.02   0.02) =   0.020%
          HN    LYS+ 102 - HN    LYS+  38  15.71 +/- 7.40   0.847% *  0.1208% (0.38   0.02   0.02) =   0.002%
          HN    TRP   27 - HN    LYS+  38  15.29 +/- 1.26   0.399% *  0.2460% (0.76   0.02   0.02) =   0.002%
          HE3   TRP   87 - HN    LYS+  38  19.63 +/- 5.68   1.144% *  0.0436% (0.14   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    LYS+  38  25.68 +/- 3.81   0.177% *  0.1323% (0.41   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    LYS+  38  20.24 +/- 2.62   0.195% *  0.1098% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 351 (4.40, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.375, support = 4.64, residual support = 49.3:
      O   HA    ASN   35 - HN    GLU-  36   3.58 +/- 0.03  57.535% * 82.0854% (0.38  10.0   4.69  51.53) =  93.257%  kept
          HA    SER   37 - HN    GLU-  36   5.08 +/- 0.18  20.335% * 16.6314% (0.38   1.0   4.05  18.97) =   6.678%  kept
          HA    SER   13 - HN    GLU-  36  15.83 +/- 4.76   4.282% *  0.2069% (0.95   1.0   0.02   0.02) =   0.017%
          HA    GLU-  15 - HN    GLU-  36  12.14 +/- 3.75   4.076% *  0.2069% (0.95   1.0   0.02   0.02) =   0.017%
          HA    LEU   40 - HN    GLU-  36   9.76 +/- 0.75   3.037% *  0.2187% (1.00   1.0   0.02   0.02) =   0.013%
          HA    GLN   17 - HN    GLU-  36  14.27 +/- 4.37   7.846% *  0.0821% (0.38   1.0   0.02   0.02) =   0.013%
          HA    LYS+  99 - HN    GLU-  36  14.03 +/- 6.00   1.830% *  0.0545% (0.25   1.0   0.02   0.02) =   0.002%
          HA    PRO   58 - HN    GLU-  36  24.24 +/- 3.07   0.232% *  0.2111% (0.97   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    GLU-  36  24.53 +/- 3.33   0.424% *  0.0981% (0.45   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    GLU-  36  26.80 +/- 5.40   0.222% *  0.1151% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ILE   56 - HN    GLU-  36  27.83 +/- 3.81   0.181% *  0.0899% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 352 (4.08, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.05, residual support = 86.2:
      O   HA    GLU-  36 - HN    GLU-  36   2.80 +/- 0.05  98.331% * 99.7892% (0.69  10.0   6.05  86.24) =  99.999%  kept
          HA    LYS+  81 - HN    GLU-  36  24.66 +/- 6.11   1.144% *  0.0822% (0.57   1.0   0.02   0.02) =   0.001%
          HA    LYS+  66 - HN    GLU-  36  20.50 +/- 2.96   0.329% *  0.0998% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLU-  36  28.22 +/- 6.51   0.195% *  0.0287% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 353 (4.42, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.47, residual support = 29.7:
      O   HA    SER   37 - HN    SER   37   2.91 +/- 0.03  86.418% * 99.4774% (0.97  10.0   4.47  29.69) =  99.989%  kept
          HA    GLN   17 - HN    SER   37  13.60 +/- 3.91   2.994% *  0.0995% (0.97   1.0   0.02   0.02) =   0.003%
          HA    LEU   40 - HN    SER   37   8.28 +/- 0.72   4.242% *  0.0542% (0.53   1.0   0.02   0.71) =   0.003%
          HA    SER   13 - HN    SER   37  15.84 +/- 4.99   2.561% *  0.0748% (0.73   1.0   0.02   0.02) =   0.002%
          HA    GLU-  15 - HN    SER   37  11.72 +/- 3.88   2.416% *  0.0748% (0.73   1.0   0.02   0.02) =   0.002%
          HA    VAL   42 - HN    SER   37  13.43 +/- 0.89   0.926% *  0.0462% (0.45   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    SER   37  23.96 +/- 2.90   0.236% *  0.1022% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    SER   37  23.31 +/- 2.92   0.208% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 354 (4.08, 7.91, 112.05 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.29, residual support = 19.0:
      O   HA    GLU-  36 - HN    SER   37   3.51 +/- 0.07  96.589% * 99.6452% (0.34  10.0   4.29  18.97) =  99.996%  kept
          HA    LYS+  66 - HN    SER   37  19.24 +/- 2.33   0.712% *  0.2819% (0.97   1.0   0.02   0.02) =   0.002%
          HA    LYS+  81 - HN    SER   37  24.54 +/- 6.25   2.699% *  0.0728% (0.25   1.0   0.02   0.02) =   0.002%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 355 (4.41, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.727, support = 4.95, residual support = 20.5:
      O   HA    SER   37 - HN    LYS+  38   3.39 +/- 0.12  78.233% * 95.0675% (0.73  10.0   4.97  20.59) =  99.521%  kept
          HA    LEU   40 - HN    LYS+  38   7.33 +/- 0.31   8.028% *  4.2808% (0.84   1.0   0.78   0.83) =   0.460%  kept
          HA    SER   13 - HN    LYS+  38  16.95 +/- 5.02   4.873% *  0.1263% (0.97   1.0   0.02   0.02) =   0.008%
          HA    GLU-  15 - HN    LYS+  38  12.49 +/- 4.06   3.189% *  0.1263% (0.97   1.0   0.02   0.02) =   0.005%
          HA    GLN   17 - HN    LYS+  38  14.12 +/- 3.89   2.917% *  0.0951% (0.73   1.0   0.02   0.02) =   0.004%
          HA    PRO   58 - HN    LYS+  38  23.17 +/- 3.07   0.321% *  0.1238% (0.95   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    LYS+  38  12.88 +/- 0.61   1.486% *  0.0259% (0.20   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    LYS+  38  23.74 +/- 2.43   0.299% *  0.1048% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  38  25.12 +/- 5.86   0.446% *  0.0291% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  38  26.52 +/- 3.59   0.208% *  0.0202% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (4.09, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 2.08, residual support = 2.48:
          HA    GLU-  36 - HN    LYS+  38   4.23 +/- 0.30  93.311% * 97.9510% (0.97   2.08   2.48) =  99.952%  kept
          HA    LYS+  81 - HN    LYS+  38  24.35 +/- 6.36   3.742% *  0.8751% (0.90   0.02   0.02) =   0.036%
          HA    LYS+  66 - HN    LYS+  38  19.18 +/- 2.32   1.465% *  0.3328% (0.34   0.02   0.02) =   0.005%
          HA    ALA  124 - HN    LYS+  38  26.50 +/- 7.00   0.995% *  0.4749% (0.49   0.02   0.02) =   0.005%
          HA    ARG+  54 - HN    LYS+  38  27.57 +/- 4.54   0.487% *  0.3662% (0.38   0.02   0.02) =   0.002%
    Distance limit 4.49 A violated in 0 structures by 0.02 A, kept.
 
    Peak 357 (4.27, 7.75, 114.55 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.75, residual support = 36.8:
      O   HA    THR   39 - HN    THR   39   2.87 +/- 0.03  94.433% * 99.4345% (1.00  10.0   3.75  36.84) =  99.996%  kept
          HB    THR   77 - HN    THR   39  21.64 +/- 5.34   1.667% *  0.0603% (0.61   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    THR   39  22.17 +/- 4.61   0.908% *  0.0986% (0.99   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    THR   39  15.25 +/- 5.64   1.083% *  0.0722% (0.73   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    THR   39  24.18 +/- 5.13   0.546% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    THR   39  16.36 +/- 1.09   0.547% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    THR   39  21.87 +/- 3.19   0.307% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   39  20.74 +/- 4.45   0.392% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   39  28.91 +/- 3.59   0.118% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 358 (4.27, 8.88, 128.13 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.34, residual support = 24.7:
      O   HA    THR   39 - HN    LEU   40   2.27 +/- 0.11  97.132% * 99.4345% (1.00  10.0   4.34  24.68) =  99.998%  kept
          HA    ILE  103 - HN    LEU   40  13.82 +/- 6.03   0.926% *  0.0722% (0.73   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    LEU   40  21.13 +/- 4.18   0.424% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   40  18.97 +/- 3.19   0.325% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   40  13.82 +/- 0.97   0.471% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU   40  20.20 +/- 3.67   0.318% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU   40  22.81 +/- 4.50   0.191% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   40  26.02 +/- 3.88   0.093% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   40  23.02 +/- 3.94   0.121% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 359 (4.40, 8.88, 128.13 ppm):
    11 chemical-shift based assignments, quality = 0.998, support = 5.29, residual support = 106.1:
      O   HA    LEU   40 - HN    LEU   40   2.84 +/- 0.05  76.913% * 95.4960% (1.00  10.0   5.30 106.44) =  99.682%  kept
          HA    LYS+  99 - HN    LEU   40  10.62 +/- 7.81   9.129% *  1.4971% (0.25   1.0   1.26   8.09) =   0.185%  kept
          HA    SER   37 - HN    LEU   40   8.09 +/- 0.53   3.614% *  2.5301% (0.38   1.0   1.41   0.71) =   0.124%  kept
          HA    GLU-  15 - HN    LEU   40  13.15 +/- 4.72   2.869% *  0.0903% (0.95   1.0   0.02   0.02) =   0.004%
          HA    ASN   35 - HN    LEU   40   8.28 +/- 0.68   3.479% *  0.0358% (0.38   1.0   0.02   0.02) =   0.002%
          HA    GLN   17 - HN    LEU   40  12.48 +/- 4.36   1.827% *  0.0358% (0.38   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    LEU   40  18.76 +/- 5.13   0.480% *  0.0903% (0.95   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    LEU   40  18.46 +/- 2.96   0.459% *  0.0922% (0.97   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    LEU   40  20.61 +/- 6.26   0.721% *  0.0502% (0.53   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   40  19.28 +/- 1.55   0.269% *  0.0428% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU   40  21.44 +/- 3.22   0.240% *  0.0393% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (4.85, 9.02, 128.16 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 4.49, residual support = 76.5:
      O   HA    VAL   41 - HN    VAL   41   2.93 +/- 0.01  97.596% * 99.4222% (0.22  10.0   4.49  76.54) =  99.995%  kept
          HA    PHE   45 - HN    VAL   41  13.72 +/- 1.03   1.040% *  0.3413% (0.76   1.0   0.02   0.02) =   0.004%
          HA    ASP-  78 - HN    VAL   41  20.45 +/- 2.94   0.546% *  0.1676% (0.38   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HN    VAL   41  17.06 +/- 2.88   0.818% *  0.0689% (0.15   1.0   0.02   0.02) =   0.001%
    Distance limit 4.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 361 (4.40, 9.02, 128.16 ppm):
    11 chemical-shift based assignments, quality = 0.997, support = 5.1, residual support = 20.8:
      O   HA    LEU   40 - HN    VAL   41   2.23 +/- 0.05  77.517% * 97.7884% (1.00  10.0   5.12  20.92) =  99.624%  kept
          HA    LYS+  99 - HN    VAL   41   8.04 +/- 6.99  16.811% *  1.6866% (0.25   1.0   1.38   0.02) =   0.373%  kept
          HA    GLN   17 - HN    VAL   41  13.27 +/- 3.41   1.715% *  0.0367% (0.38   1.0   0.02   0.02) =   0.001%
          HA    ASN   35 - HN    VAL   41   8.80 +/- 1.16   1.558% *  0.0367% (0.38   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    VAL   41  14.43 +/- 3.39   0.482% *  0.0925% (0.95   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    VAL   41  16.96 +/- 3.03   0.355% *  0.0944% (0.97   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   41  10.48 +/- 0.81   0.820% *  0.0367% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   41  20.01 +/- 3.85   0.159% *  0.0925% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    VAL   41  20.07 +/- 5.28   0.226% *  0.0514% (0.53   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   41  16.65 +/- 1.20   0.201% *  0.0438% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    VAL   41  19.60 +/- 3.23   0.155% *  0.0402% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 362 (9.69, 9.02, 128.16 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 5.01, residual support = 20.0:
        T HN    LEU   98 - HN    VAL   41   7.26 +/- 5.63 100.000% *100.0000% (0.97 10.00   5.01  20.04) = 100.000%  kept
    Distance limit 4.20 A violated in 8 structures by 3.26 A, kept.
 
    Peak 363 (5.25, 8.95, 126.35 ppm):
    1 chemical-shift based assignment, quality = 0.223, support = 1.11, residual support = 3.84:
          HA    PHE   72 - HN    VAL   42   5.03 +/- 1.66 100.000% *100.0000% (0.22   1.11   3.84) = 100.000%  kept
    Distance limit 4.24 A violated in 8 structures by 1.14 A, kept.
 
    Peak 364 (4.85, 8.95, 126.35 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 5.3, residual support = 29.5:
      O   HA    VAL   41 - HN    VAL   42   2.28 +/- 0.08  97.844% * 99.4222% (0.22  10.0   5.30  29.45) =  99.995%  kept
          HA    PHE   45 - HN    VAL   42  10.17 +/- 0.73   1.179% *  0.3413% (0.76   1.0   0.02   0.02) =   0.004%
          HA    THR   23 - HN    VAL   42  14.72 +/- 2.99   0.716% *  0.0689% (0.15   1.0   0.02   0.02) =   0.001%
          HA    ASP-  78 - HN    VAL   42  17.46 +/- 1.71   0.262% *  0.1676% (0.38   1.0   0.02   0.16) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 365 (4.45, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 5.46, residual support = 89.9:
      O   HA    VAL   42 - HN    VAL   42   2.90 +/- 0.03  93.603% * 99.6568% (0.87  10.0   5.46  89.91) =  99.997%  kept
          HA    GLN   17 - HN    VAL   42  12.43 +/- 3.51   2.544% *  0.0355% (0.31   1.0   0.02   0.02) =   0.001%
          HA    GLN   90 - HN    VAL   42  16.49 +/- 2.63   0.787% *  0.0789% (0.69   1.0   0.02   0.02) =   0.001%
          HA    PHE   55 - HN    VAL   42  19.34 +/- 2.96   0.427% *  0.0997% (0.87   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   42  13.28 +/- 0.99   1.061% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   42  17.87 +/- 2.43   0.492% *  0.0650% (0.57   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   42  13.14 +/- 1.03   1.085% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 366 (4.44, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.04, residual support = 39.7:
      O   HA    VAL   42 - HN    VAL   43   2.24 +/- 0.06  97.143% * 99.7026% (1.00  10.0   5.04  39.68) =  99.999%  kept
          HA    THR   46 - HN    VAL   43  11.32 +/- 0.73   0.803% *  0.0566% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   43  14.84 +/- 3.23   0.630% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   43  13.78 +/- 1.71   0.502% *  0.0341% (0.34   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   43  16.64 +/- 1.17   0.255% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   43  15.07 +/- 2.42   0.455% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   43  18.34 +/- 2.30   0.211% *  0.0526% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 368 (4.90, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.399, support = 2.18, residual support = 3.25:
          HA    LYS+  74 - HN    ASP-  44   6.08 +/- 3.21  56.381% * 39.5948% (0.28   2.64   4.48) =  71.677%  kept
          HA    MET   92 - HN    ASP-  44  11.14 +/- 1.53  12.793% * 52.4369% (0.87   1.12   0.19) =  21.538%  kept
          HA    VAL   41 - HN    ASP-  44   7.61 +/- 0.78  28.366% *  7.4001% (0.20   0.69   0.02) =   6.740%  kept
          HA    HIS  122 - HN    ASP-  44  17.37 +/- 3.21   2.460% *  0.5683% (0.53   0.02   0.02) =   0.045%
    Distance limit 3.76 A violated in 5 structures by 1.13 A, kept.
 
    Peak 369 (4.67, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.92, residual support = 16.6:
      O   HA    VAL   43 - HN    ASP-  44   2.24 +/- 0.07  95.583% * 99.8182% (0.87  10.0   3.92  16.56) =  99.997%  kept
          HA    HIS   22 - HN    ASP-  44  12.08 +/- 3.52   2.688% *  0.0560% (0.49   1.0   0.02   0.02) =   0.002%
          HA    LEU   71 - HN    ASP-  44  10.19 +/- 1.37   1.318% *  0.0560% (0.49   1.0   0.02   0.02) =   0.001%
          HA    ASN   69 - HN    ASP-  44  14.22 +/- 1.55   0.410% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 370 (4.30, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.487, support = 3.85, residual support = 39.9:
      O   HA    ASP-  44 - HN    ASP-  44   2.88 +/- 0.06  91.941% * 98.9185% (0.49  10.0   3.85  39.89) =  99.991%  kept
          HB    THR   77 - HN    ASP-  44  10.96 +/- 2.26   3.011% *  0.0835% (0.41   1.0   0.02   0.02) =   0.003%
          HA    ASP-  86 - HN    ASP-  44  14.91 +/- 1.95   0.811% *  0.2028% (1.00   1.0   0.02   0.02) =   0.002%
          HA    LEU  104 - HN    ASP-  44  14.88 +/- 2.55   0.834% *  0.1396% (0.69   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ASP-  44  14.14 +/- 2.15   1.311% *  0.0835% (0.41   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ASP-  44  12.52 +/- 2.57   1.464% *  0.0627% (0.31   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    ASP-  44  20.51 +/- 3.01   0.303% *  0.1992% (0.98   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HN    ASP-  44  24.44 +/- 3.40   0.190% *  0.2032% (1.00   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  44  26.85 +/- 3.46   0.134% *  0.1069% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (8.02, 8.74, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.45, residual support = 27.3:
        T HN    THR   94 - HN    PHE   45   3.16 +/- 0.57  95.523% * 99.8815% (0.84 10.00   3.45  27.35) =  99.994%  kept
          HN    GLU-  79 - HN    PHE   45  10.93 +/- 2.71   4.477% *  0.1185% (0.99  1.00   0.02   0.02) =   0.006%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 372 (6.84, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.69, residual support = 79.8:
          QD    PHE   45 - HN    PHE   45   2.52 +/- 0.78  97.668% * 98.5597% (0.53   5.69  79.80) =  99.988%  kept
          HD2   HIS  122 - HN    PHE   45  14.49 +/- 2.51   1.083% *  0.6350% (0.97   0.02   0.02) =   0.007%
          HE22  GLN  116 - HN    PHE   45  16.02 +/- 3.32   0.593% *  0.6224% (0.95   0.02   0.02) =   0.004%
          HE22  GLN   17 - HN    PHE   45  19.60 +/- 3.54   0.655% *  0.1829% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 0 structures by 0.02 A, kept.
 
    Peak 373 (5.96, 8.74, 125.75 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 1.89, residual support = 1.89:
          HA    PHE   95 - HN    PHE   45   4.24 +/- 1.14 100.000% *100.0000% (1.00   1.89   1.89) = 100.000%  kept
    Distance limit 4.64 A violated in 2 structures by 0.31 A, kept.
 
    Peak 374 (4.86, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.95, residual support = 79.8:
      O   HA    PHE   45 - HN    PHE   45   2.89 +/- 0.07  96.316% * 99.9134% (0.99  10.0   3.95  79.80) =  99.999%  kept
          HA    VAL   41 - HN    PHE   45  11.26 +/- 0.70   1.729% *  0.0530% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ASP-  78 - HN    PHE   45  12.50 +/- 2.87   1.491% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    PHE   45  18.02 +/- 2.64   0.464% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 375 (4.29, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.06, residual support = 18.8:
      O   HA    ASP-  44 - HN    PHE   45   2.30 +/- 0.05  91.037% * 97.6336% (1.00  10.0   4.06  18.79) =  99.950%  kept
          HB    THR   77 - HN    PHE   45   9.51 +/- 3.66   2.297% *  1.7841% (0.99   1.0   0.37   9.64) =   0.046%
          HA    SER   85 - HN    PHE   45  12.52 +/- 1.80   0.855% *  0.0968% (0.99   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    PHE   45  12.53 +/- 2.74   1.239% *  0.0592% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    PHE   45  10.33 +/- 3.18   2.854% *  0.0171% (0.18   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    PHE   45  13.84 +/- 1.18   0.445% *  0.0924% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    PHE   45  14.26 +/- 1.47   0.449% *  0.0438% (0.45   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    PHE   45  14.60 +/- 1.16   0.386% *  0.0401% (0.41   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    PHE   45  17.40 +/- 1.17   0.226% *  0.0514% (0.53   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    PHE   45  29.97 +/- 4.12   0.052% *  0.0974% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    PHE   45  23.68 +/- 3.01   0.095% *  0.0366% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    PHE   45  27.60 +/- 3.72   0.065% *  0.0475% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 376 (6.83, 8.46, 117.19 ppm):
    6 chemical-shift based assignments, quality = 0.225, support = 4.36, residual support = 12.3:
          QD    PHE   45 - HN    THR   46   4.30 +/- 0.47  77.741% * 89.1053% (0.22   4.38  12.33) =  99.457%  kept
          HE22  GLN  116 - HN    THR   46  17.67 +/- 4.20   3.679% *  7.3707% (0.97   0.08   0.02) =   0.389%  kept
          HD2   HIS  122 - HN    THR   46  16.61 +/- 2.77   2.273% *  1.7278% (0.95   0.02   0.02) =   0.056%
          HE22  GLN   32 - HN    THR   46  24.84 +/- 5.05   6.190% *  0.4066% (0.22   0.02   0.02) =   0.036%
          HE22  GLN   90 - HN    THR   46  12.82 +/- 3.08   8.397% *  0.2818% (0.15   0.02   0.02) =   0.034%
          HE22  GLN   17 - HN    THR   46  20.42 +/- 4.60   1.720% *  1.1078% (0.61   0.02   0.02) =   0.027%
    Distance limit 4.57 A violated in 0 structures by 0.04 A, kept.
 
    Peak 377 (5.00, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.527, support = 2.69, residual support = 3.71:
          HA    ASP-  76 - HN    THR   46   6.93 +/- 5.18  76.579% * 98.7934% (0.53   2.70   3.72) =  99.628%  kept
          HA    LEU   67 - HN    THR   46  16.08 +/- 2.42  23.421% *  1.2066% (0.87   0.02   0.02) =   0.372%  kept
    Distance limit 4.09 A violated in 10 structures by 2.98 A, kept.
 
    Peak 378 (4.85, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.95, residual support = 12.3:
      O   HA    PHE   45 - HN    THR   46   2.29 +/- 0.09  96.678% * 99.9017% (0.76  10.0   3.95  12.33) =  99.999%  kept
          HA    ASP-  78 - HN    THR   46  10.25 +/- 4.17   2.247% *  0.0491% (0.38   1.0   0.02   0.02) =   0.001%
          HA    VAL   41 - HN    THR   46  13.57 +/- 1.53   0.590% *  0.0291% (0.22   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    THR   46  14.98 +/- 3.35   0.485% *  0.0202% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 379 (4.44, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 3.25, residual support = 34.2:
      O   HA    THR   46 - HN    THR   46   2.91 +/- 0.05  76.995% * 99.4016% (0.57  10.0   3.25  34.25) =  99.979%  kept
          HA    GLN   90 - HN    THR   46   8.54 +/- 2.74  18.661% *  0.0599% (0.34   1.0   0.02   0.02) =   0.015%
          HA    VAL   42 - HN    THR   46  11.49 +/- 1.02   1.381% *  0.1752% (1.00   1.0   0.02   0.02) =   0.003%
          HA    PHE   55 - HN    THR   46  14.18 +/- 1.66   0.917% *  0.0924% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    THR   46  12.70 +/- 2.70   1.342% *  0.0438% (0.25   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    THR   46  18.37 +/- 3.94   0.441% *  0.1136% (0.65   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    THR   46  23.70 +/- 3.15   0.262% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 381 (9.28, 8.46, 117.19 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 3.39, residual support = 10.7:
          HN    THR   77 - HN    THR   46   6.44 +/- 5.24 100.000% *100.0000% (1.00   3.39  10.73) = 100.000%  kept
    Distance limit 4.75 A violated in 6 structures by 2.67 A, kept.
 
    Peak 382 (4.57, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.894, support = 2.3, residual support = 10.8:
      O   HA    ALA   47 - HN    ALA   47   2.91 +/- 0.03  60.056% * 96.8065% (0.90  10.0   2.32  10.83) =  98.484%  kept
          HA    CYS   50 - HN    ALA   47   4.68 +/- 1.65  30.230% *  2.9393% (0.73   1.0   0.75   7.01) =   1.505%  kept
          HA    TRP   49 - HN    ALA   47   6.88 +/- 0.79   6.377% *  0.0568% (0.53   1.0   0.02  16.20) =   0.006%
          HA    VAL  108 - HN    ALA   47  12.41 +/- 2.99   1.851% *  0.0864% (0.80   1.0   0.02   0.02) =   0.003%
          HA1   GLY  109 - HN    ALA   47  13.43 +/- 3.13   1.180% *  0.0741% (0.69   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    ALA   47  18.61 +/- 2.87   0.306% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 384 (4.44, 7.01, 120.97 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 3.07, residual support = 11.6:
      O   HA    THR   46 - HN    ALA   47   2.55 +/- 0.18  92.479% * 99.4016% (0.57  10.0   3.07  11.60) =  99.994%  kept
          HA    GLN   90 - HN    ALA   47  10.02 +/- 2.78   3.957% *  0.0599% (0.34   1.0   0.02   0.02) =   0.003%
          HA    PHE   55 - HN    ALA   47  12.28 +/- 1.64   1.091% *  0.0924% (0.53   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    ALA   47  14.90 +/- 1.27   0.549% *  0.1752% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    ALA   47  12.27 +/- 3.05   1.573% *  0.0438% (0.25   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    ALA   47  21.06 +/- 4.42   0.238% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   47  26.89 +/- 3.31   0.114% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 386 (6.62, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.831, support = 4.12, residual support = 14.2:
        T HN    TRP   49 - HN    SER   48   2.68 +/- 0.15  78.852% * 93.4983% (0.84 10.00   4.15  14.42) =  98.275%  kept
          HN    CYS   50 - HN    SER   48   4.79 +/- 1.19  20.113% *  6.4335% (0.61  1.00   1.90   0.02) =   1.725%  kept
          HN    VAL   83 - HN    SER   48  14.36 +/- 3.03   0.814% *  0.0222% (0.20  1.00   0.02   0.02) =   0.000%
          HE22  GLN   30 - HN    SER   48  21.27 +/- 3.45   0.222% *  0.0460% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 387 (4.57, 9.44, 119.76 ppm):
    6 chemical-shift based assignments, quality = 0.893, support = 2.22, residual support = 6.32:
      O   HA    ALA   47 - HN    SER   48   2.34 +/- 0.10  85.607% * 88.1719% (0.90  10.0   2.22   6.27) =  98.932%  kept
          HA    TRP   49 - HN    SER   48   5.20 +/- 0.16   7.929% *  8.0268% (0.53   1.0   3.10  14.42) =   0.834%  kept
          HA    CYS   50 - HN    SER   48   6.35 +/- 0.76   4.892% *  3.6216% (0.73   1.0   1.01   0.02) =   0.232%  kept
          HA    VAL  108 - HN    SER   48  14.98 +/- 3.64   0.877% *  0.0787% (0.80   1.0   0.02   0.02) =   0.001%
          HA1   GLY  109 - HN    SER   48  15.94 +/- 3.79   0.506% *  0.0675% (0.69   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    SER   48  19.78 +/- 3.53   0.190% *  0.0335% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 388 (7.35, 6.63, 116.57 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 4.88, residual support = 84.6:
          HD1   TRP   49 - HN    TRP   49   2.45 +/- 0.86  93.147% * 98.2817% (0.92   4.88  84.63) =  99.981%  kept
          HN    LEU   67 - HN    TRP   49  19.59 +/- 3.82   1.267% *  0.4278% (0.98   0.02   0.02) =   0.006%
          QE    PHE   95 - HN    TRP   49  12.38 +/- 2.09   1.834% *  0.2823% (0.65   0.02   0.02) =   0.006%
          HD2   HIS   22 - HN    TRP   49  21.31 +/- 4.72   0.724% *  0.3495% (0.80   0.02   0.02) =   0.003%
          HN    THR   23 - HN    TRP   49  19.73 +/- 3.97   0.760% *  0.2998% (0.69   0.02   0.02) =   0.002%
          QD    PHE   55 - HN    TRP   49  12.90 +/- 0.91   1.604% *  0.1088% (0.25   0.02   0.02) =   0.002%
          HE3   TRP   27 - HN    TRP   49  19.95 +/- 2.84   0.513% *  0.0864% (0.20   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    TRP   49  29.54 +/- 5.21   0.150% *  0.1638% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.04 A, kept.
 
    Peak 389 (9.45, 6.63, 116.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 4.15, residual support = 14.4:
        T HN    SER   48 - HN    TRP   49   2.68 +/- 0.15 100.000% *100.0000% (0.84 10.00   4.15  14.42) = 100.000%  kept
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 390 (4.58, 6.60, 121.96 ppm):
    7 chemical-shift based assignments, quality = 0.945, support = 2.25, residual support = 7.17:
      O   HA    CYS   50 - HN    CYS   50   2.42 +/- 0.28  57.599% * 51.9976% (0.98  10.0   2.07   7.92) =  69.485%  kept
      O   HA    TRP   49 - HN    CYS   50   3.33 +/- 0.41  28.248% * 46.0154% (0.87  10.0   2.68   5.46) =  30.156%  kept
          HA    ALA   47 - HN    CYS   50   5.20 +/- 1.34   8.252% *  1.8574% (0.57   1.0   1.24   7.01) =   0.356%  kept
          HA    VAL  108 - HN    CYS   50  15.08 +/- 4.47   4.691% *  0.0238% (0.45   1.0   0.02   0.02) =   0.003%
          HA1   GLY  109 - HN    CYS   50  15.26 +/- 4.55   0.974% *  0.0512% (0.97   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    CYS   50  21.35 +/- 3.60   0.128% *  0.0364% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   50  26.59 +/- 4.72   0.109% *  0.0181% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 391 (4.58, 6.63, 116.57 ppm):
    7 chemical-shift based assignments, quality = 0.86, support = 4.45, residual support = 79.5:
      O   HA    TRP   49 - HN    TRP   49   2.83 +/- 0.12  60.389% * 78.9559% (0.87  10.0   4.56  84.63) =  93.047%  kept
          HA    ALA   47 - HN    TRP   49   3.97 +/- 0.32  23.444% *  7.8489% (0.57   1.0   3.05  16.20) =   3.591%  kept
          HA    CYS   50 - HN    TRP   49   4.81 +/- 0.38  13.267% * 12.9729% (0.98   1.0   2.91   5.46) =   3.359%  kept
          HA1   GLY  109 - HN    TRP   49  16.05 +/- 4.39   0.831% *  0.0878% (0.97   1.0   0.02   0.02) =   0.001%
          HA    VAL  108 - HN    TRP   49  15.66 +/- 4.12   1.580% *  0.0408% (0.45   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    TRP   49  21.28 +/- 3.62   0.185% *  0.0625% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    TRP   49  26.38 +/- 5.20   0.304% *  0.0310% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 392 (7.36, 11.10, 134.86 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 2.32, residual support = 84.6:
      O   HD1   TRP   49 - HE1   TRP   49   2.64 +/- 0.00  96.959% * 99.6863% (0.92  10.0   2.32  84.63) =  99.999%  kept
          HN    LEU   67 - HE1   TRP   49  19.97 +/- 4.05   0.690% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HE1   TRP   49  11.44 +/- 2.32   1.737% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE1   TRP   49  22.78 +/- 3.86   0.202% *  0.1070% (0.99   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE1   TRP   49  29.77 +/- 4.99   0.160% *  0.0902% (0.84   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HE1   TRP   49  21.14 +/- 3.48   0.251% *  0.0269% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 393 (4.58, 9.57, 121.38 ppm):
    7 chemical-shift based assignments, quality = 0.979, support = 1.37, residual support = 1.35:
      O   HA    CYS   50 - HN    GLY   51   2.90 +/- 0.35  71.619% * 95.0479% (0.98  10.0   1.38   1.37) =  98.745%  kept
          HA    TRP   49 - HN    GLY   51   5.26 +/- 1.08  18.921% *  4.5293% (0.87   1.0   0.74   0.02) =   1.243%  kept
          HA    ALA   47 - HN    GLY   51   7.68 +/- 1.27   5.500% *  0.0796% (0.57   1.0   0.02   0.02) =   0.006%
          HA1   GLY  109 - HN    GLY   51  15.30 +/- 4.71   1.535% *  0.1356% (0.97   1.0   0.02   0.02) =   0.003%
          HA    VAL  108 - HN    GLY   51  15.60 +/- 4.19   2.005% *  0.0630% (0.45   1.0   0.02   0.02) =   0.002%
          HA    CYS   21 - HN    GLY   51  22.41 +/- 3.40   0.264% *  0.0965% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY   51  27.84 +/- 4.06   0.155% *  0.0479% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 394 (4.26, 9.57, 121.38 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 2.71, residual support = 10.2:
      O   HA1   GLY   51 - HN    GLY   51   2.65 +/- 0.31  91.531% * 99.5416% (0.92  10.0   2.71  10.19) =  99.995%  kept
          HA    ALA   57 - HN    GLY   51  10.75 +/- 1.54   2.167% *  0.1069% (0.99   1.0   0.02   0.02) =   0.003%
          HB    THR   77 - HN    GLY   51  13.82 +/- 5.34   3.185% *  0.0300% (0.28   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    GLY   51  17.26 +/- 4.70   1.034% *  0.0824% (0.76   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    GLY   51  13.99 +/- 1.29   0.760% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    GLY   51  18.98 +/- 3.61   0.559% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    GLY   51  18.98 +/- 3.19   0.397% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLY   51  26.40 +/- 3.62   0.141% *  0.0901% (0.84   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLY   51  24.39 +/- 3.43   0.184% *  0.0405% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLY   51  37.04 +/- 5.32   0.044% *  0.0213% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (7.87, 8.09, 110.83 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 6.25, residual support = 32.1:
        T HN    ARG+  54 - HN    CYS   53   2.70 +/- 0.13  98.054% * 99.1159% (0.98 10.00   6.25  32.13) =  99.990%  kept
        T HN    ASP-  62 - HN    CYS   53  12.35 +/- 1.75   1.291% *  0.7343% (0.73 10.00   0.02   0.02) =   0.010%
          HN    LEU   31 - HN    CYS   53  24.61 +/- 4.08   0.545% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    CYS   53  28.27 +/- 3.28   0.110% *  0.0845% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 396 (8.10, 7.87, 121.30 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 6.25, residual support = 32.1:
        T HN    CYS   53 - HN    ARG+  54   2.70 +/- 0.13  95.873% * 99.6035% (0.85 10.00   6.25  32.13) =  99.996%  kept
        T HN    CYS   53 - HN    ASP-  62  12.35 +/- 1.75   1.262% *  0.1864% (0.16 10.00   0.02   0.02) =   0.002%
          HN    LEU   80 - HN    ARG+  54  18.46 +/- 4.13   1.161% *  0.0763% (0.65  1.00   0.02   0.02) =   0.001%
          HN    ALA   34 - HN    ARG+  54  26.53 +/- 3.98   0.213% *  0.0629% (0.54  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ARG+  54  24.61 +/- 4.24   0.269% *  0.0379% (0.32  1.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ASP-  62  17.47 +/- 2.55   0.439% *  0.0143% (0.12  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ASP-  62  19.16 +/- 2.31   0.374% *  0.0118% (0.10  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ASP-  62  19.29 +/- 3.17   0.410% *  0.0071% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 397 (7.67, 7.87, 121.30 ppm):
    6 chemical-shift based assignments, quality = 0.531, support = 0.02, residual support = 0.02:
          HD21  ASN   69 - HN    ARG+  54  21.43 +/- 4.90  14.291% * 31.3037% (0.72   0.02   0.02) =  34.276%  kept
          HN    TRP   87 - HN    ARG+  54  20.72 +/- 3.05  12.525% * 29.7440% (0.69   0.02   0.02) =  28.546%  kept
          HD21  ASN   69 - HN    ASP-  62  13.47 +/- 1.77  31.736% *  5.8573% (0.14   0.02   0.02) =  14.243%  kept
          HN    GLN   17 - HN    ARG+  54  25.02 +/- 4.02   5.587% * 23.1904% (0.54   0.02   0.02) =   9.926%  kept
          HN    GLN   17 - HN    ASP-  62  16.39 +/- 4.07  24.304% *  4.3392% (0.10   0.02   0.02) =   8.080%  kept
          HN    TRP   87 - HN    ASP-  62  20.17 +/- 2.63  11.558% *  5.5654% (0.13   0.02   0.02) =   4.929%  kept
    Distance limit 3.91 A violated in 20 structures by 7.69 A, eliminated.
    Peak unassigned.
 
    Peak 400 (7.83, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 3.93, residual support = 21.3:
          HN    PHE   55 - HN    ILE   56   2.61 +/- 0.18  91.511% * 99.1145% (0.95   3.93  21.30) =  99.993%  kept
          HN    ASP-  62 - HN    ILE   56   9.36 +/- 0.86   2.295% *  0.1647% (0.31   0.02   0.02) =   0.004%
          HN    ALA   88 - HN    ILE   56  20.88 +/- 3.43   0.334% *  0.4628% (0.87   0.02   0.02) =   0.002%
          HN    ALA   88 - HZ2   TRP   87   8.48 +/- 0.27   2.805% *  0.0201% (0.04   0.02   4.98) =   0.001%
          HN    LEU   31 - HN    ILE   56  23.84 +/- 3.93   0.278% *  0.2002% (0.38   0.02   0.02) =   0.001%
          HN    LEU   31 - HZ2   TRP   87  13.33 +/- 5.62   2.310% *  0.0087% (0.02   0.02   1.73) =   0.000%
          HN    PHE   55 - HZ2   TRP   87  22.97 +/- 2.83   0.189% *  0.0219% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  62 - HZ2   TRP   87  19.22 +/- 2.12   0.278% *  0.0071% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 401 (7.40, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.866, support = 4.99, residual support = 30.5:
          HN    ALA   57 - HN    ILE   56   3.33 +/- 0.70  79.674% * 90.2955% (0.87   5.07  31.08) =  98.159%  kept
          HE21  GLN  116 - HN    ILE   56  10.71 +/- 3.59  14.732% *  9.1143% (0.80   0.55   0.02) =   1.832%  kept
          HN    ALA  120 - HN    ILE   56  12.93 +/- 1.72   1.901% *  0.1688% (0.41   0.02   0.02) =   0.004%
          HE21  GLN   90 - HN    ILE   56  19.71 +/- 4.09   0.859% *  0.3683% (0.90   0.02   0.02) =   0.004%
          HE21  GLN   90 - HZ2   TRP   87  14.45 +/- 1.88   1.567% *  0.0160% (0.04   0.02   0.02) =   0.000%
          HN    ALA   57 - HZ2   TRP   87  21.22 +/- 2.74   0.588% *  0.0155% (0.04   0.02   0.02) =   0.000%
          HE21  GLN  116 - HZ2   TRP   87  25.06 +/- 3.53   0.331% *  0.0143% (0.03   0.02   0.02) =   0.000%
          HN    ALA  120 - HZ2   TRP   87  23.75 +/- 2.72   0.349% *  0.0073% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.30 A, kept.
 
    Peak 402 (4.41, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 0.159, support = 5.0, residual support = 123.6:
      O   HA    ILE   56 - HN    ILE   56   2.79 +/- 0.12  79.538% * 87.8488% (0.15  10.0   5.03 124.29) =  99.433%  kept
          HA    PRO   58 - HN    ILE   56   7.58 +/- 0.54   4.263% *  8.8929% (0.95   1.0   0.33   0.02) =   0.540%  kept
          HA    THR   46 - HN    ILE   56   9.99 +/- 1.88   2.826% *  0.4559% (0.80   1.0   0.02   0.02) =   0.018%
          HA    LEU   40 - HN    ILE   56  20.85 +/- 3.48   0.278% *  0.4756% (0.84   1.0   0.02   0.02) =   0.002%
          HA    GLN   17 - HN    ILE   56  21.55 +/- 3.76   0.215% *  0.4134% (0.73   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ILE   56  16.57 +/- 2.83   0.514% *  0.1268% (0.22   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    ILE   56  26.22 +/- 3.47   0.110% *  0.5495% (0.97   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    ILE   56  16.53 +/- 2.36   0.496% *  0.1127% (0.20   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    ILE   56  28.14 +/- 3.67   0.104% *  0.4134% (0.73   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HZ2   TRP   87  15.26 +/- 5.91   2.081% *  0.0206% (0.04   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HZ2   TRP   87  14.64 +/- 2.79   2.060% *  0.0198% (0.03   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    ILE   56  30.78 +/- 3.82   0.066% *  0.5495% (0.97   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HZ2   TRP   87  18.63 +/- 4.44   1.603% *  0.0179% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HZ2   TRP   87  19.73 +/- 4.95   1.081% *  0.0238% (0.04   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HZ2   TRP   87  11.50 +/- 4.41   3.124% *  0.0049% (0.01   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HZ2   TRP   87  23.98 +/- 5.94   0.492% *  0.0238% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HZ2   TRP   87  20.73 +/- 5.88   0.554% *  0.0179% (0.03   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HZ2   TRP   87  20.94 +/- 3.02   0.257% *  0.0234% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HZ2   TRP   87  22.12 +/- 3.07   0.225% *  0.0038% (0.01   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HZ2   TRP   87  27.17 +/- 3.68   0.111% *  0.0055% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 403 (7.59, 7.41, 127.14 ppm):
    7 chemical-shift based assignments, quality = 0.979, support = 5.02, residual support = 30.8:
          HN    ILE   56 - HN    ALA   57   3.33 +/- 0.70  83.573% * 87.8150% (0.98   5.07  31.08) =  98.965%  kept
          HN    LYS+ 111 - HN    ALA   57  11.62 +/- 3.15   6.599% * 11.1987% (0.90   0.71   0.02) =   0.997%  kept
          HN    LEU   63 - HN    ALA   57   8.53 +/- 0.84   7.379% *  0.3263% (0.92   0.02   0.02) =   0.032%
          HN    ALA   84 - HN    ALA   57  19.82 +/- 3.04   0.853% *  0.3170% (0.90   0.02   0.02) =   0.004%
          HD21  ASN   28 - HN    ALA   57  21.62 +/- 4.53   0.825% *  0.1091% (0.31   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HN    ALA   57  21.22 +/- 2.74   0.604% *  0.0619% (0.18   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ALA   57  29.28 +/- 4.31   0.167% *  0.1720% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.26 A, kept.
 
    Peak 404 (8.20, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.468, support = 4.31, residual support = 19.9:
        T HN    PHE   60 - HN    PHE   59   2.81 +/- 0.15  91.591% * 97.7864% (0.47 10.00   4.31  19.93) =  99.969%  kept
        T HN    THR  118 - HN    PHE   59   9.18 +/- 1.11   3.940% *  0.6051% (0.29 10.00   0.02  12.80) =   0.027%
        T HN    GLU-  15 - HN    PHE   59  23.59 +/- 3.69   0.191% *  1.5803% (0.76 10.00   0.02   0.02) =   0.003%
          HN    GLN  116 - HN    PHE   59   8.24 +/- 0.83   4.279% *  0.0282% (0.14  1.00   0.02   0.39) =   0.001%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 405 (4.37, 7.25, 119.50 ppm):
    7 chemical-shift based assignments, quality = 0.268, support = 4.71, residual support = 55.5:
      O   HA    PHE   59 - HN    PHE   59   2.75 +/- 0.06  69.917% * 83.8196% (0.24  10.0   4.95  57.86) =  93.403%  kept
          HA    ILE   56 - HN    PHE   59   4.40 +/- 1.15  27.288% * 15.1458% (0.69   1.0   1.24  21.89) =   6.587%  kept
          HA    ASP- 113 - HN    PHE   59  10.97 +/- 1.29   1.275% *  0.2436% (0.69   1.0   0.02   0.02) =   0.005%
          HA    LEU  123 - HN    PHE   59  12.97 +/- 1.38   0.772% *  0.2175% (0.62   1.0   0.02   0.02) =   0.003%
          HA    LYS+  99 - HN    PHE   59  20.27 +/- 2.91   0.222% *  0.2692% (0.76   1.0   0.02   0.02) =   0.001%
          HA    ASN   35 - HN    PHE   59  24.00 +/- 3.40   0.142% *  0.2507% (0.71   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    PHE   59  17.72 +/- 3.08   0.382% *  0.0537% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 406 (4.27, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 4.44, residual support = 24.1:
      O   HA    ALA   57 - HN    ALA   57   2.73 +/- 0.16  93.607% * 99.2309% (0.76  10.0   4.44  24.15) =  99.993%  kept
          HA1   GLY   51 - HN    ALA   57  11.02 +/- 1.34   1.931% *  0.1273% (0.98   1.0   0.02   0.02) =   0.003%
          HA    ASP-  44 - HN    ALA   57  11.28 +/- 2.14   2.159% *  0.0683% (0.53   1.0   0.02   0.02) =   0.002%
          HA    GLU-  79 - HN    ALA   57  19.08 +/- 4.12   0.621% *  0.1287% (0.99   1.0   0.02   0.02) =   0.001%
          HB    THR   77 - HN    ALA   57  15.77 +/- 4.07   0.801% *  0.0788% (0.61   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    ALA   57  21.90 +/- 3.11   0.258% *  0.1298% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   57  21.58 +/- 3.54   0.306% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   57  20.69 +/- 2.35   0.253% *  0.0943% (0.73   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   57  33.35 +/- 4.52   0.063% *  0.0632% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 407 (4.38, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.973, support = 4.59, residual support = 30.9:
      O   HA    ILE   56 - HN    ALA   57   2.93 +/- 0.51  73.851% * 90.7686% (0.99  10.0   4.56  31.08) =  97.183%  kept
          HA    PRO   58 - HN    ALA   57   4.69 +/- 0.29  22.014% *  8.8152% (0.34   1.0   5.64  25.39) =   2.813%  kept
          HA    ASP- 113 - HN    ALA   57  11.17 +/- 1.67   1.864% *  0.0518% (0.57   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ALA   57  15.19 +/- 2.17   0.889% *  0.0914% (1.00   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    ALA   57  19.25 +/- 3.47   0.562% *  0.0446% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   57  25.37 +/- 3.85   0.224% *  0.0898% (0.98   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   57  21.94 +/- 2.55   0.236% *  0.0821% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA   57  24.21 +/- 3.53   0.232% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   57  28.79 +/- 3.87   0.128% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 408 (8.20, 7.72, 117.18 ppm):
    4 chemical-shift based assignments, quality = 0.606, support = 5.25, residual support = 41.4:
        T HN    PHE   60 - HN    ALA   61   2.77 +/- 0.24  96.093% * 97.7864% (0.61 10.00   5.25  41.42) =  99.980%  kept
        T HN    THR  118 - HN    ALA   61  11.65 +/- 1.46   1.837% *  0.6051% (0.38 10.00   0.02   0.02) =   0.012%
        T HN    GLU-  15 - HN    ALA   61  20.26 +/- 4.12   0.453% *  1.5803% (0.98 10.00   0.02   0.02) =   0.008%
          HN    GLN  116 - HN    ALA   61  11.27 +/- 1.29   1.618% *  0.0282% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 409 (7.27, 7.72, 117.18 ppm):
    5 chemical-shift based assignments, quality = 0.551, support = 4.3, residual support = 31.6:
          QD    PHE   60 - HN    ALA   61   3.42 +/- 0.63  57.507% * 49.3790% (0.57   4.77  41.42) =  75.850%  kept
          HN    PHE   59 - HN    ALA   61   4.59 +/- 0.40  28.498% * 24.0851% (0.41   3.20   0.70) =  18.334%  kept
          QE    PHE   59 - HN    ALA   61   7.26 +/- 1.15   8.273% * 26.0858% (0.80   1.78   0.70) =   5.764%  kept
          HN    LYS+  66 - HN    ALA   61   7.95 +/- 0.77   5.258% *  0.3587% (0.98   0.02   0.02) =   0.050%
          HN    LYS+  81 - HN    ALA   61  18.67 +/- 2.95   0.463% *  0.0913% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 410 (4.40, 7.72, 117.18 ppm):
    11 chemical-shift based assignments, quality = 0.938, support = 0.884, residual support = 0.838:
          HA    PRO   58 - HN    ALA   61   3.80 +/- 0.65  66.081% * 65.5728% (0.97   0.91   0.86) =  94.908%  kept
          HA    THR   46 - HN    ALA   61  10.71 +/- 3.35   7.856% * 17.3475% (0.45   0.52   0.02) =   2.985%  kept
          HA    ILE   56 - HN    ALA   61   8.02 +/- 1.24  11.721% *  5.7451% (0.41   0.19   1.22) =   1.475%  kept
          HA    GLN   17 - HN    ALA   61  14.77 +/- 4.52   3.799% *  4.7451% (0.38   0.17   0.02) =   0.395%  kept
          HA    LEU   40 - HN    ALA   61  14.66 +/- 3.15   3.960% *  1.4915% (1.00   0.02   0.02) =   0.129%  kept
          HA    LEU  123 - HN    ALA   61  14.66 +/- 1.61   1.848% *  0.7847% (0.53   0.02   0.02) =   0.032%
          HA    GLU-  15 - HN    ALA   61  19.10 +/- 3.87   0.974% *  1.4109% (0.95   0.02   0.02) =   0.030%
          HA    LYS+  99 - HN    ALA   61  18.17 +/- 3.08   1.970% *  0.3719% (0.25   0.02   0.02) =   0.016%
          HA    SER   13 - HN    ALA   61  23.91 +/- 4.01   0.420% *  1.4109% (0.95   0.02   0.02) =   0.013%
          HA    ASN   35 - HN    ALA   61  20.67 +/- 2.99   0.777% *  0.5598% (0.38   0.02   0.02) =   0.010%
          HA    SER   37 - HN    ALA   61  21.37 +/- 2.76   0.595% *  0.5598% (0.38   0.02   0.02) =   0.007%
    Distance limit 4.03 A violated in 0 structures by 0.16 A, kept.
 
    Peak 411 (4.28, 7.72, 117.18 ppm):
    12 chemical-shift based assignments, quality = 0.539, support = 1.42, residual support = 0.831:
          HA    ALA   57 - HN    ALA   61   5.30 +/- 1.43  54.098% * 46.9451% (0.41   1.69   1.05) =  71.567%  kept
          HA    ASP-  44 - HN    ALA   61   8.65 +/- 2.38  22.388% * 43.9993% (0.87   0.75   0.28) =  27.759%  kept
          HB    THR   77 - HN    ALA   61  14.36 +/- 3.87   4.348% *  1.2486% (0.92   0.02   0.02) =   0.153%  kept
          HA    ILE  103 - HN    ALA   61  17.91 +/- 2.74   3.478% *  1.3259% (0.98   0.02   0.02) =   0.130%  kept
          HA    THR   39 - HN    ALA   61  17.11 +/- 2.65   3.694% *  1.1298% (0.84   0.02   0.02) =   0.118%  kept
          HA1   GLY   51 - HN    ALA   61  14.62 +/- 1.79   3.512% *  0.9822% (0.73   0.02   0.02) =   0.097%
          HA    GLU-  79 - HN    ALA   61  16.98 +/- 3.45   2.352% *  1.2131% (0.90   0.02   0.02) =   0.080%
          HA    SER   85 - HN    ALA   61  20.75 +/- 2.85   1.203% *  1.2486% (0.92   0.02   0.02) =   0.042%
          HA    MET   11 - HN    ALA   61  28.61 +/- 4.22   0.744% *  1.1298% (0.84   0.02   0.02) =   0.024%
          HA    GLU-  14 - HN    ALA   61  21.75 +/- 4.26   2.195% *  0.2087% (0.15   0.02   0.02) =   0.013%
          HA    ALA   12 - HN    ALA   61  26.18 +/- 3.73   1.050% *  0.3011% (0.22   0.02   0.02) =   0.009%
          HA    ASP-  86 - HN    ALA   61  22.28 +/- 2.53   0.938% *  0.2677% (0.20   0.02   0.02) =   0.007%
    Distance limit 4.56 A violated in 4 structures by 0.74 A, kept.
 
    Peak 412 (7.86, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.84, residual support = 42.3:
        T HN    ASP-  62 - HN    LEU   63   2.65 +/- 0.16  95.708% * 99.7221% (0.98 10.00   5.84  42.32) =  99.997%  kept
          HN    ARG+  54 - HN    LEU   63  12.62 +/- 2.17   1.765% *  0.0939% (0.92  1.00   0.02   0.02) =   0.002%
          HN    LEU   31 - HN    LEU   63  17.28 +/- 2.80   0.639% *  0.0962% (0.95  1.00   0.02   0.02) =   0.001%
          HN    PHE   55 - HN    LEU   63  12.37 +/- 1.84   1.586% *  0.0382% (0.38  1.00   0.02   0.02) =   0.001%
          HN    LYS+  38 - HN    LEU   63  19.04 +/- 1.93   0.302% *  0.0495% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 413 (6.47, 7.59, 120.97 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 6.92, residual support = 55.4:
        T HN    ALA   64 - HN    LEU   63   2.74 +/- 0.19 100.000% *100.0000% (0.97 10.00   6.92  55.43) = 100.000%  kept
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 414 (6.91, 6.46, 118.53 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.86, residual support = 29.3:
        T HN    LYS+  65 - HN    ALA   64   2.64 +/- 0.19 100.000% *100.0000% (0.97 10.00   4.86  29.27) = 100.000%  kept
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 415 (7.59, 6.46, 118.53 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 6.92, residual support = 55.4:
          HN    LEU   63 - HN    ALA   64   2.74 +/- 0.19  95.955% * 99.0189% (0.99   6.92  55.43) =  99.992%  kept
          HN    ILE   56 - HN    ALA   64  12.38 +/- 1.08   1.124% *  0.2730% (0.95   0.02   0.02) =   0.003%
          HD21  ASN   28 - HN    ALA   64  16.42 +/- 3.58   1.151% *  0.1751% (0.61   0.02   0.02) =   0.002%
          HN    LYS+ 111 - HN    ALA   64  16.60 +/- 2.11   0.666% *  0.1751% (0.61   0.02   0.02) =   0.001%
          HN    ALA   84 - HN    ALA   64  17.95 +/- 1.54   0.383% *  0.1751% (0.61   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HN    ALA   64  17.05 +/- 2.40   0.502% *  0.1187% (0.41   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ALA   64  22.17 +/- 2.75   0.219% *  0.0643% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 416 (6.47, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.667, support = 4.86, residual support = 29.3:
        T HN    ALA   64 - HN    LYS+  65   2.64 +/- 0.19 100.000% *100.0000% (0.67 10.00   4.86  29.27) = 100.000%  kept
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 417 (7.27, 6.90, 114.80 ppm):
    5 chemical-shift based assignments, quality = 0.675, support = 6.45, residual support = 30.5:
          HN    LYS+  66 - HN    LYS+  65   2.62 +/- 0.18  87.355% * 93.3401% (0.68   6.49  30.70) =  99.360%  kept
          QD    PHE   60 - HN    LYS+  65   6.34 +/- 0.82   8.311% *  6.2311% (0.39   0.75   0.02) =   0.631%  kept
          QE    PHE   59 - HN    LYS+  65   9.89 +/- 1.24   1.905% *  0.2350% (0.55   0.02   0.02) =   0.005%
          HN    PHE   59 - HN    LYS+  65   9.32 +/- 0.85   2.173% *  0.1207% (0.28   0.02   0.02) =   0.003%
          HN    LYS+  81 - HN    LYS+  65  19.29 +/- 2.15   0.255% *  0.0732% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 418 (4.22, 6.90, 114.80 ppm):
    4 chemical-shift based assignments, quality = 0.666, support = 1.11, residual support = 4.2:
          HA    ASP-  62 - HN    LYS+  65   3.63 +/- 0.46  95.469% * 96.5875% (0.67   1.11   4.21) =  99.931%  kept
          HB    THR   26 - HN    LYS+  65  16.59 +/- 2.29   1.876% *  1.7873% (0.68   0.02   0.02) =   0.036%
          HA    SER  117 - HN    LYS+  65  16.42 +/- 2.66   2.173% *  1.3094% (0.50   0.02   0.02) =   0.031%
          HA    SER   82 - HN    LYS+  65  22.61 +/- 1.99   0.481% *  0.3158% (0.12   0.02   0.02) =   0.002%
    Distance limit 4.13 A violated in 0 structures by 0.02 A, kept.
 
    Peak 419 (6.91, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 6.49, residual support = 30.7:
        T HN    LYS+  65 - HN    LYS+  66   2.62 +/- 0.18 100.000% *100.0000% (0.97 10.00   6.49  30.70) = 100.000%  kept
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 420 (4.08, 7.27, 117.25 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.2, residual support = 118.4:
      O   HA    LYS+  66 - HN    LYS+  66   2.89 +/- 0.05  99.375% * 99.9389% (0.97  10.0   5.20 118.45) = 100.000%  kept
          HA    GLU-  36 - HN    LYS+  66  21.32 +/- 2.50   0.295% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  66  20.46 +/- 2.08   0.330% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 421 (6.95, 7.34, 119.88 ppm):
    2 chemical-shift based assignments, quality = 0.0832, support = 2.62, residual support = 46.7:
          HD22  ASN   28 - HE3   TRP   27   5.28 +/- 0.44  81.812% * 94.3459% (0.08   2.65  47.30) =  98.685%  kept
          HD22  ASN   28 - HN    LEU   67  17.83 +/- 4.25  18.188% *  5.6541% (0.61   0.02   0.02) =   1.315%  kept
    Distance limit 4.52 A violated in 0 structures by 0.68 A, kept.
 
    Peak 422 (4.99, 7.34, 119.88 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.13, residual support = 60.8:
      O   HA    LEU   67 - HN    LEU   67   2.57 +/- 0.27  95.520% * 99.9623% (1.00  10.0   6.13  60.78) = 100.000%  kept
          HA    ASP-  76 - HN    LEU   67  13.79 +/- 2.08   0.911% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HE3   TRP   27  14.21 +/- 2.55   1.149% *  0.0126% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HE3   TRP   27  11.44 +/- 2.49   2.420% *  0.0028% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 423 (4.08, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.99, residual support = 15.7:
      O   HA    LYS+  66 - HN    LEU   67   3.54 +/- 0.09  93.145% * 99.9186% (0.97  10.0   4.99  15.68) =  99.999%  kept
          HA    LYS+  66 - HE3   TRP   27  15.97 +/- 2.92   2.106% *  0.0126% (0.12   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   67  19.91 +/- 2.72   0.679% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU   67  20.73 +/- 1.95   0.528% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HE3   TRP   27  15.26 +/- 4.16   2.072% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HE3   TRP   27  14.54 +/- 1.23   1.471% *  0.0044% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 424 (7.97, 8.82, 114.58 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 4.26, residual support = 26.3:
        T HN    VAL   70 - HN    ASN   69   2.41 +/- 0.56  99.625% * 99.9644% (0.87 10.00   4.26  26.32) = 100.000%  kept
          HN    LYS+  33 - HN    ASN   69  17.01 +/- 2.50   0.375% *  0.0356% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.01 A, kept.
 
    Peak 425 (4.69, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.48, residual support = 60.7:
      O   HA    ASN   69 - HN    ASN   69   2.77 +/- 0.20  97.802% * 99.8231% (0.76  10.0   5.48  60.69) =  99.998%  kept
          HA    HIS   22 - HN    ASN   69  18.49 +/- 3.14   1.068% *  0.1133% (0.87   1.0   0.02   0.02) =   0.001%
          HA    VAL   43 - HN    ASN   69  13.47 +/- 1.99   1.129% *  0.0636% (0.49   1.0   0.02   0.02) =   0.001%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 426 (6.65, 7.68, 113.30 ppm):
    3 chemical-shift based assignments, quality = 0.518, support = 3.05, residual support = 60.7:
      O T HD22  ASN   69 - HD21  ASN   69   1.73 +/- 0.00  99.693% * 99.9103% (0.52  10.0 10.00   3.05  60.69) = 100.000%  kept
          HE22  GLN   30 - HD21  ASN   69  14.57 +/- 2.40   0.221% *  0.0656% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HD21  ASN   69  23.89 +/- 4.49   0.087% *  0.0241% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (7.69, 6.66, 113.30 ppm):
    4 chemical-shift based assignments, quality = 0.518, support = 3.05, residual support = 60.7:
      O   HD21  ASN   69 - HD22  ASN   69   1.73 +/- 0.00  98.039% * 99.7566% (0.52  10.0   3.05  60.69) =  99.998%  kept
          HN    GLN   17 - HD22  ASN   69  12.72 +/- 6.19   1.836% *  0.1078% (0.56   1.0   0.02   0.02) =   0.002%
          HN    TRP   87 - HD22  ASN   69  24.53 +/- 3.97   0.046% *  0.1022% (0.53   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HD22  ASN   69  22.26 +/- 4.69   0.079% *  0.0334% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 428 (6.97, 7.98, 124.64 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 2.37, residual support = 46.4:
          QE    PHE   72 - HN    VAL   70   4.51 +/- 0.53  96.811% * 98.1915% (0.45   2.37  46.47) =  99.939%  kept
          HD22  ASN   28 - HN    VAL   70  16.97 +/- 2.33   3.189% *  1.8085% (0.98   0.02   0.02) =   0.061%
    Distance limit 4.51 A violated in 0 structures by 0.21 A, kept.
 
    Peak 429 (8.81, 7.98, 124.64 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.26, residual support = 26.3:
        T HN    ASN   69 - HN    VAL   70   2.41 +/- 0.56  97.477% * 99.8277% (0.76 10.00   4.26  26.32) =  99.999%  kept
          HN    ASN   28 - HN    VAL   70  17.13 +/- 2.04   0.619% *  0.1236% (0.95  1.00   0.02   0.02) =   0.001%
          HN    ASP-  44 - HN    VAL   70  11.61 +/- 1.39   1.333% *  0.0259% (0.20  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    VAL   70  19.85 +/- 2.71   0.572% *  0.0229% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.02 A, kept.
 
    Peak 430 (4.69, 7.99, 124.64 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.72, residual support = 26.3:
      O   HA    ASN   69 - HN    VAL   70   2.98 +/- 0.44  94.777% * 99.8197% (0.87  10.0   3.72  26.32) =  99.995%  kept
          HA    HIS   22 - HN    VAL   70  16.57 +/- 3.37   2.807% *  0.1060% (0.93   1.0   0.02   0.02) =   0.003%
          HA    VAL   43 - HN    VAL   70  11.65 +/- 1.81   2.415% *  0.0743% (0.65   1.0   0.02   0.02) =   0.002%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 431 (4.03, 7.98, 124.64 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 4.31, residual support = 81.0:
      O   HA    VAL   70 - HN    VAL   70   2.92 +/- 0.02  71.771% * 99.5350% (0.72  10.0   4.31  81.07) =  99.974%  kept
          HA1   GLY   16 - HN    VAL   70  10.85 +/- 6.18  14.292% *  0.0831% (0.60   1.0   0.02   0.02) =   0.017%
          HA    VAL   18 - HN    VAL   70   9.22 +/- 4.33  10.653% *  0.0342% (0.25   1.0   0.02   0.02) =   0.005%
          HB2   SER   37 - HN    VAL   70  11.44 +/- 2.14   1.675% *  0.1265% (0.91   1.0   0.02   0.02) =   0.003%
          HA    GLN  116 - HN    VAL   70  16.91 +/- 2.76   0.536% *  0.0995% (0.72   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    VAL   70  15.73 +/- 2.33   0.586% *  0.0564% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   70  18.24 +/- 1.93   0.335% *  0.0381% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   70  24.32 +/- 3.57   0.153% *  0.0271% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (4.65, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.6, residual support = 139.0:
      O   HA    LEU   71 - HN    LEU   71   2.90 +/- 0.03  94.252% * 99.9402% (1.00  10.0   6.60 139.00) =  99.998%  kept
          HA    ALA   20 - HN    LEU   71  11.27 +/- 2.49   3.168% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
          HA    VAL   43 - HN    LEU   71  10.37 +/- 1.90   2.580% *  0.0223% (0.22   1.0   0.02   0.02) =   0.001%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 433 (4.01, 8.15, 128.27 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 5.62, residual support = 33.5:
      O   HA    VAL   70 - HN    LEU   71   2.22 +/- 0.03  85.137% * 95.9699% (1.00  10.0   5.63  33.57) =  99.790%  kept
          HA    VAL   18 - HN    LEU   71   8.03 +/- 4.19   4.638% *  3.6333% (0.69   1.0   1.10   0.02) =   0.206%  kept
          HB2   SER   37 - HN    LEU   71   8.62 +/- 2.48   3.141% *  0.0467% (0.49   1.0   0.02   0.02) =   0.002%
          HA1   GLY   16 - HN    LEU   71   9.60 +/- 5.87   5.295% *  0.0190% (0.20   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    LEU   71  12.54 +/- 2.75   0.713% *  0.0832% (0.87   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    LEU   71  15.28 +/- 2.11   0.328% *  0.0697% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   71  18.38 +/- 2.71   0.209% *  0.0960% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   71  20.05 +/- 4.03   0.422% *  0.0239% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LEU   71  22.80 +/- 4.59   0.117% *  0.0582% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 434 (4.88, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.996, support = 0.79, residual support = 0.784:
          HA    VAL   41 - HN    LEU   71   6.00 +/- 2.33  75.227% * 96.5840% (1.00   0.79   0.79) =  99.409%  kept
          HA    HIS  122 - HN    LEU   71  16.65 +/- 5.46  13.778% *  2.0360% (0.84   0.02   0.02) =   0.384%  kept
          HA    PHE   45 - HN    LEU   71  14.87 +/- 1.80  10.995% *  1.3800% (0.57   0.02   0.02) =   0.208%  kept
    Distance limit 4.08 A violated in 10 structures by 1.99 A, kept.
 
    Peak 435 (8.93, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.71, support = 2.12, residual support = 1.08:
          HN    VAL   42 - HN    LEU   71   6.65 +/- 2.09  43.131% * 32.9777% (0.61   2.30   0.84) =  43.209%  kept
          HN    LEU   73 - HN    LEU   71   7.38 +/- 0.42  24.839% * 38.5574% (0.61   2.69   1.76) =  29.094%  kept
          HN    ILE   19 - HN    LEU   71   8.32 +/- 3.58  32.030% * 28.4649% (0.98   1.23   0.72) =  27.697%  kept
    Distance limit 4.61 A violated in 1 structures by 0.73 A, kept.
 
    Peak 436 (6.67, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 0.449, support = 5.6, residual support = 90.0:
          QD    PHE   72 - HN    PHE   72   2.49 +/- 0.53  94.603% * 96.7375% (0.45   5.61  90.14) =  99.872%  kept
          HD22  ASN   69 - HN    PHE   72   9.38 +/- 1.08   4.003% *  2.7645% (0.73   0.10   0.02) =   0.121%  kept
          QE    PHE   45 - HN    PHE   72  11.53 +/- 1.75   1.394% *  0.4979% (0.65   0.02   0.02) =   0.008%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 437 (5.26, 9.36, 127.59 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 5.08, residual support = 90.1:
      O   HA    PHE   72 - HN    PHE   72   2.92 +/- 0.02 100.000% *100.0000% (0.53  10.0   5.08  90.14) = 100.000%  kept
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 438 (4.65, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.47, residual support = 19.1:
      O   HA    LEU   71 - HN    PHE   72   2.29 +/- 0.08  90.049% * 99.9402% (1.00  10.0   5.47  19.10) =  99.996%  kept
          HA    ALA   20 - HN    PHE   72   7.88 +/- 2.11   7.144% *  0.0375% (0.38   1.0   0.02   0.02) =   0.003%
          HA    VAL   43 - HN    PHE   72   8.32 +/- 1.66   2.807% *  0.0223% (0.22   1.0   0.02   0.02) =   0.001%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 439 (4.83, 9.36, 127.59 ppm):
    5 chemical-shift based assignments, quality = 0.62, support = 0.02, residual support = 0.02:
          HA    THR   23 - HN    PHE   72  13.85 +/- 1.91  23.327% * 29.8815% (0.73   0.02   0.02) =  39.823%  kept
          HA    ASP-  78 - HN    PHE   72  17.82 +/- 1.89  11.256% * 39.7133% (0.97   0.02   0.02) =  25.539%  kept
          HA    PHE   45 - HN    PHE   72  12.31 +/- 1.08  32.426% *  7.2068% (0.18   0.02   0.02) =  13.351%  kept
          HA    LEU   80 - HN    PHE   72  17.05 +/- 3.12  14.432% * 14.0368% (0.34   0.02   0.02) =  11.573%  kept
          HB    THR   23 - HN    PHE   72  14.91 +/- 1.99  18.559% *  9.1616% (0.22   0.02   0.02) =   9.714%  kept
    Distance limit 4.48 A violated in 20 structures by 6.13 A, eliminated.
    Peak unassigned.
 
    Peak 440 (7.61, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.561, support = 0.884, residual support = 1.71:
          QE    PHE   60 - HN    LEU   73   6.76 +/- 2.29  48.588% * 49.8944% (0.49   1.06   2.22) =  75.973%  kept
          HZ2   TRP   87 - HN    LEU   73  12.42 +/- 3.34  15.729% * 30.3891% (0.99   0.32   0.02) =  14.980%  kept
          HN    LEU   63 - HN    LEU   73  10.23 +/- 1.58  14.680% * 17.2134% (0.41   0.43   0.02) =   7.919%  kept
          HD21  ASN   28 - HN    LEU   73  10.75 +/- 1.32  17.942% *  1.9037% (0.98   0.02   1.21) =   1.070%  kept
          HN    ILE   56 - HN    LEU   73  17.04 +/- 3.08   3.060% *  0.5994% (0.31   0.02   0.02) =   0.057%
    Distance limit 4.60 A violated in 13 structures by 1.78 A, kept.
 
    Peak 441 (5.57, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 6.51, residual support = 170.6:
      O   HA    LEU   73 - HN    LEU   73   2.88 +/- 0.04 100.000% *100.0000% (0.95  10.0   6.51 170.59) = 100.000%  kept
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 442 (5.26, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 5.62, residual support = 44.1:
      O   HA    PHE   72 - HN    LEU   73   2.55 +/- 0.19 100.000% *100.0000% (0.53  10.0   5.62  44.07) = 100.000%  kept
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 443 (4.66, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.672, support = 1.79, residual support = 1.93:
          HA    LEU   71 - HN    LEU   73   6.17 +/- 0.65  24.527% * 59.9478% (0.84   1.93   1.76) =  53.460%  kept
          HA    VAL   43 - HN    LEU   73   6.41 +/- 2.36  33.489% * 34.1077% (0.53   1.74   2.38) =  41.530%  kept
          HA    ALA   20 - HN    LEU   73   6.35 +/- 2.28  30.415% *  4.3201% (0.14   0.86   0.02) =   4.777%  kept
          HA    ASN   69 - HN    LEU   73  11.75 +/- 0.75   3.525% *  1.4768% (0.28   0.14   0.02) =   0.189%  kept
          HA    HIS   22 - HN    LEU   73   9.69 +/- 1.62   8.043% *  0.1475% (0.20   0.02   0.02) =   0.043%
    Distance limit 4.37 A violated in 0 structures by 0.41 A, kept.
 
    Peak 444 (7.90, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.125, support = 3.65, residual support = 7.84:
        T HN    CYS   21 - HN    LYS+  74   4.10 +/- 1.62  81.086% * 95.8247% (0.12 10.00   3.67   7.87) =  99.656%  kept
        T HN    ILE  119 - HN    LYS+  74  16.96 +/- 3.41   7.299% *  3.0978% (0.40 10.00   0.02   0.02) =   0.290%  kept
          HN    ILE   89 - HN    LYS+  74  15.78 +/- 1.61   4.444% *  0.4381% (0.57  1.00   0.02   0.02) =   0.025%
          HN    SER   37 - HN    LYS+  74  15.55 +/- 1.95   3.557% *  0.5176% (0.67  1.00   0.02   0.02) =   0.024%
          HN    LYS+  38 - HN    LYS+  74  15.76 +/- 1.84   3.615% *  0.1218% (0.16  1.00   0.02   0.02) =   0.006%
    Distance limit 4.24 A violated in 2 structures by 0.49 A, kept.
 
    Peak 445 (8.94, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.575, support = 4.41, residual support = 20.4:
        T HN    ILE   19 - HN    LYS+  74   6.01 +/- 2.61  34.831% * 73.0464% (0.54 10.00   3.38   8.22) =  64.343%  kept
          HN    LEU   73 - HN    LYS+  74   4.34 +/- 0.29  52.478% * 26.8490% (0.64  1.00   6.26  42.48) =  35.632%  kept
          HN    VAL   42 - HN    LYS+  74   8.45 +/- 2.18  11.514% *  0.0857% (0.64  1.00   0.02   0.02) =   0.025%
          HN    LYS+ 106 - HN    LYS+  74  17.77 +/- 2.98   1.177% *  0.0189% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 446 (5.56, 8.48, 121.30 ppm):
    1 chemical-shift based assignment, quality = 0.684, support = 5.74, residual support = 42.5:
      O   HA    LEU   73 - HN    LYS+  74   2.58 +/- 0.27 100.000% *100.0000% (0.68  10.0   5.74  42.48) = 100.000%  kept
    Distance limit 3.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 447 (4.90, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.197, support = 6.12, residual support = 186.9:
      O   HA    LYS+  74 - HN    LYS+  74   2.86 +/- 0.05  93.239% * 99.4309% (0.20  10.0   6.12 186.90) =  99.992%  kept
          HA    VAL   41 - HN    LYS+  74   9.51 +/- 2.44   5.474% *  0.0708% (0.14   1.0   0.02   0.02) =   0.004%
          HA    MET   92 - HN    LYS+  74  15.75 +/- 2.30   0.682% *  0.3102% (0.61   1.0   0.02   0.02) =   0.002%
          HA    HIS  122 - HN    LYS+  74  18.08 +/- 3.71   0.605% *  0.1882% (0.37   1.0   0.02   0.02) =   0.001%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 448 (4.63, 8.48, 121.30 ppm):
    2 chemical-shift based assignments, quality = 0.673, support = 3.44, residual support = 6.27:
          HA    ALA   20 - HN    LYS+  74   3.54 +/- 2.03  80.100% * 87.2089% (0.68   3.53   6.49) =  96.484%  kept
          HA    LEU   71 - HN    LYS+  74   8.11 +/- 1.20  19.900% * 12.7911% (0.37   0.95   0.28) =   3.516%  kept
    Distance limit 3.77 A violated in 0 structures by 0.18 A, kept.
 
    Peak 449 (4.91, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 6.24, residual support = 31.9:
      O   HA    LYS+  74 - HN    VAL   75   2.24 +/- 0.07  98.973% * 99.7992% (0.61  10.0   6.24  31.89) =  99.999%  kept
          HA    MET   92 - HN    VAL   75  12.88 +/- 3.42   0.784% *  0.1642% (1.00   1.0   0.02   0.02) =   0.001%
          HA    HIS  122 - HN    VAL   75  18.07 +/- 2.85   0.243% *  0.0366% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 450 (4.99, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.223, support = 3.72, residual support = 35.7:
      O   HA    ASP-  76 - HN    ASP-  76   2.87 +/- 0.07  98.952% * 99.5538% (0.22  10.0   3.72  35.66) =  99.995%  kept
          HA    LEU   67 - HN    ASP-  76  14.71 +/- 2.58   1.048% *  0.4462% (1.00   1.0   0.02   0.02) =   0.005%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 451 (4.50, 9.14, 128.89 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 3.97, residual support = 19.7:
      O   HA    VAL  107 - HN    VAL  108   2.19 +/- 0.01  96.220% * 99.5919% (0.65  10.0   3.97  19.67) =  99.998%  kept
          HA    ALA   91 - HN    VAL  108  12.93 +/- 2.26   0.670% *  0.1233% (0.80   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 111 - HN    VAL  108   8.39 +/- 1.39   2.466% *  0.0305% (0.20   1.0   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    VAL  108  16.51 +/- 4.22   0.537% *  0.1058% (0.69   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    VAL  108  21.72 +/- 1.91   0.106% *  0.1486% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 452 (8.52, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.979, support = 5.58, residual support = 28.4:
        T HN    ASP-  78 - HN    THR   77   2.64 +/- 0.15  90.657% * 96.7722% (0.98 10.00   5.59  28.45) =  99.681%  kept
          HN    VAL   75 - HN    THR   77   6.09 +/- 0.86   8.753% *  3.2105% (0.61  1.00   1.07   0.71) =   0.319%  kept
          HN    LYS+ 112 - HN    THR   77  18.40 +/- 4.70   0.591% *  0.0173% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 453 (9.28, 8.52, 119.25 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 5.59, residual support = 28.4:
        T HN    THR   77 - HN    ASP-  78   2.64 +/- 0.15 100.000% *100.0000% (1.00 10.00   5.59  28.45) = 100.000%  kept
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 454 (8.02, 8.52, 119.25 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.88, residual support = 21.0:
        T HN    GLU-  79 - HN    ASP-  78   2.52 +/- 0.18  98.341% * 99.9158% (0.99 10.00   3.88  21.02) =  99.999%  kept
          HN    THR   94 - HN    ASP-  78  11.57 +/- 3.61   1.659% *  0.0842% (0.84  1.00   0.02   0.02) =   0.001%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 455 (8.53, 8.02, 121.50 ppm):
    2 chemical-shift based assignments, quality = 0.563, support = 3.88, residual support = 21.0:
        T HN    ASP-  78 - HN    GLU-  79   2.52 +/- 0.18  97.094% * 99.4045% (0.56 10.00   3.88  21.02) =  99.982%  kept
          HN    VAL   75 - HN    GLU-  79   8.28 +/- 0.55   2.906% *  0.5955% (0.56  1.00   0.12   0.02) =   0.018%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 458 (4.27, 8.02, 121.50 ppm):
    9 chemical-shift based assignments, quality = 0.603, support = 4.42, residual support = 56.3:
      O   HA    GLU-  79 - HN    GLU-  79   2.71 +/- 0.19  83.506% * 94.5756% (0.60  10.0   4.44  56.73) =  99.297%  kept
          HB    THR   77 - HN    GLU-  79   5.44 +/- 0.44  11.251% *  4.9387% (0.37   1.0   1.71   0.02) =   0.699%  kept
          HA1   GLY   51 - HN    GLU-  79  17.56 +/- 5.14   1.011% *  0.0935% (0.60   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    GLU-  79  11.81 +/- 2.27   1.202% *  0.0502% (0.32   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    GLU-  79  21.22 +/- 4.34   0.606% *  0.0954% (0.61   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    GLU-  79  12.44 +/- 0.91   0.931% *  0.0579% (0.37   1.0   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    GLU-  79  16.27 +/- 4.18   0.687% *  0.0729% (0.47   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    GLU-  79  19.41 +/- 3.99   0.642% *  0.0693% (0.44   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HN    GLU-  79  27.90 +/- 6.14   0.165% *  0.0464% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 459 (4.86, 8.02, 121.50 ppm):
    4 chemical-shift based assignments, quality = 0.0824, support = 3.84, residual support = 21.0:
      O   HA    ASP-  78 - HN    GLU-  79   3.55 +/- 0.08  88.466% * 98.7485% (0.08  10.0   3.84  21.02) =  99.916%  kept
          HA    PHE   45 - HN    GLU-  79   9.15 +/- 3.21   8.817% *  0.7232% (0.60   1.0   0.02   0.02) =   0.073%
          HA    VAL   41 - HN    GLU-  79  16.28 +/- 2.71   2.327% *  0.3839% (0.32   1.0   0.02   0.02) =   0.010%
          HA    HIS  122 - HN    GLU-  79  23.85 +/- 3.23   0.391% *  0.1444% (0.12   1.0   0.02   0.02) =   0.001%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 460 (5.00, 9.27, 119.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 4.53, residual support = 11.0:
      O   HA    ASP-  76 - HN    THR   77   2.31 +/- 0.05  99.647% * 99.8354% (0.53  10.0   4.53  10.98) =  99.999%  kept
          HA    LEU   67 - HN    THR   77  16.12 +/- 2.18   0.353% *  0.1646% (0.87   1.0   0.02   0.02) =   0.001%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 461 (4.58, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.574, support = 1.14, residual support = 2.94:
          HA    ALA   47 - HN    THR   77   9.00 +/- 5.90  37.159% * 88.6390% (0.57   1.18   3.05) =  96.501%  kept
          HA    CYS   50 - HN    THR   77  12.49 +/- 4.92  14.831% *  2.5964% (0.98   0.02   0.02) =   1.128%  kept
          HA    CYS   21 - HN    THR   77  13.26 +/- 1.56  19.313% *  1.8195% (0.69   0.02   0.02) =   1.030%  kept
          HA    TRP   49 - HN    THR   77  13.56 +/- 5.14   7.461% *  2.2977% (0.87   0.02   0.02) =   0.502%  kept
          HA1   GLY  109 - HN    THR   77  17.90 +/- 4.96   4.492% *  2.5563% (0.97   0.02   0.02) =   0.336%  kept
          HA    LYS+ 102 - HN    THR   77  21.04 +/- 3.44   9.560% *  0.9035% (0.34   0.02   0.02) =   0.253%  kept
          HA    VAL  108 - HN    THR   77  15.64 +/- 4.18   7.185% *  1.1876% (0.45   0.02   0.02) =   0.250%  kept
    Distance limit 4.47 A violated in 10 structures by 2.64 A, kept.
 
    Peak 462 (4.45, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.42, support = 0.973, residual support = 7.74:
          HA    THR   46 - HN    THR   77   8.29 +/- 5.32  38.998% * 37.4804% (0.25   1.19  10.73) =  70.965%  kept
          HA    VAL   42 - HN    THR   77  13.43 +/- 1.40   9.554% * 55.5809% (0.87   0.51   0.50) =  25.781%  kept
          HA    GLN   90 - HN    THR   77  10.75 +/- 4.22  20.235% *  1.7409% (0.69   0.02   0.02) =   1.710%  kept
          HA    SER   37 - HN    THR   77  23.08 +/- 5.61  12.418% *  0.7822% (0.31   0.02   0.02) =   0.472%  kept
          HA    GLN   17 - HN    THR   77  17.10 +/- 3.63  11.641% *  0.7822% (0.31   0.02   0.02) =   0.442%  kept
          HA    PHE   55 - HN    THR   77  17.50 +/- 4.11   3.548% *  2.1984% (0.87   0.02   0.02) =   0.379%  kept
          HA    ALA  110 - HN    THR   77  17.06 +/- 4.73   3.605% *  1.4349% (0.57   0.02   0.02) =   0.251%  kept
    Distance limit 4.38 A violated in 8 structures by 1.72 A, kept.
 
    Peak 463 (4.29, 9.27, 119.07 ppm):
    12 chemical-shift based assignments, quality = 0.763, support = 4.01, residual support = 37.3:
      O   HB    THR   77 - HN    THR   77   3.25 +/- 0.42  77.429% * 97.2429% (0.76  10.0   4.02  37.44) =  99.716%  kept
          HA    GLU-  79 - HN    THR   77   6.69 +/- 0.64  10.369% *  1.9690% (0.28   1.0   1.11   0.02) =   0.270%  kept
          HA    ASP-  44 - HN    THR   77   9.40 +/- 3.03   5.109% *  0.1063% (0.84   1.0   0.02   0.02) =   0.007%
          HA    SER   85 - HN    THR   77  13.10 +/- 1.83   1.615% *  0.0972% (0.76   1.0   0.02   0.02) =   0.002%
          HA    ASP-  86 - HN    THR   77  14.97 +/- 1.51   0.974% *  0.1019% (0.80   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    THR   77  22.05 +/- 4.47   0.850% *  0.0924% (0.73   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    THR   77  18.25 +/- 2.71   0.641% *  0.0823% (0.65   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HN    THR   77  25.75 +/- 5.22   0.345% *  0.1063% (0.84   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   77  15.83 +/- 5.07   1.491% *  0.0196% (0.15   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   77  27.93 +/- 6.04   0.261% *  0.1104% (0.87   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    THR   77  20.72 +/- 2.60   0.383% *  0.0434% (0.34   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    THR   77  19.86 +/- 3.60   0.534% *  0.0283% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 465 (8.07, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 0.645, support = 5.33, residual support = 39.7:
        T HN    LEU   80 - HN    LYS+  81   3.36 +/- 0.55  83.011% * 94.5574% (0.65 10.00   5.36  40.00) =  99.263%  kept
          HN    SER   85 - HN    LYS+  81   6.57 +/- 0.33  13.775% *  4.1433% (0.45  1.00   1.26   0.02) =   0.722%  kept
        T HN    ALA   34 - HN    LYS+  81  21.30 +/- 5.34   0.941% *  1.1171% (0.76 10.00   0.02   0.02) =   0.013%
          HN    CYS   53 - HN    LYS+  81  18.26 +/- 3.60   1.783% *  0.0601% (0.41  1.00   0.02   0.02) =   0.001%
          HN    GLN   32 - HN    LYS+  81  20.85 +/- 5.41   0.489% *  0.1221% (0.84  1.00   0.02   0.02) =   0.001%
    Distance limit 3.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 466 (8.64, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.34, residual support = 13.2:
        T HN    SER   82 - HN    LYS+  81   2.60 +/- 0.17  97.060% * 99.8569% (1.00 10.00   4.34  13.21) =  99.999%  kept
          HN    GLN   90 - HN    LYS+  81  10.93 +/- 2.04   1.724% *  0.0375% (0.38  1.00   0.02   0.02) =   0.001%
          HN    GLY   16 - HN    LYS+  81  23.34 +/- 6.01   0.678% *  0.0525% (0.53  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    LYS+  81  24.51 +/- 3.93   0.240% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    LYS+  81  21.63 +/- 4.07   0.299% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 467 (4.82, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 0.692, support = 5.75, residual support = 39.2:
      O   HA    LEU   80 - HN    LYS+  81   2.56 +/- 0.36  79.020% * 88.9685% (0.69  10.0   5.84  40.00) =  97.911%  kept
          HA    ASP-  78 - HN    LYS+  81   5.77 +/- 1.30  15.694% *  9.1891% (0.95   1.0   1.50   0.43) =   2.008%  kept
          HA    THR   23 - HN    LYS+  81  13.56 +/- 6.27   3.248% *  1.7382% (0.98   1.0   0.27   0.02) =   0.079%
          HB    THR   23 - HN    LYS+  81  15.11 +/- 6.00   1.835% *  0.0681% (0.53   1.0   0.02   0.02) =   0.002%
          HA    ASP- 105 - HN    LYS+  81  22.61 +/- 2.90   0.203% *  0.0360% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 468 (4.10, 7.29, 121.74 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.37, residual support = 105.1:
      O   HA    LYS+  81 - HN    LYS+  81   2.79 +/- 0.06  97.294% * 99.7055% (0.99  10.0   5.37 105.05) =  99.998%  kept
          HA    GLU-  36 - HN    LYS+  81  26.78 +/- 7.05   0.998% *  0.0952% (0.95   1.0   0.02   0.02) =   0.001%
          HA    ARG+  54 - HN    LYS+  81  19.81 +/- 3.87   0.421% *  0.0730% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+  81  17.44 +/- 5.64   0.928% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  81  32.07 +/- 4.67   0.099% *  0.0840% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  81  21.68 +/- 2.86   0.261% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.17, 8.64, 114.33 ppm):
    6 chemical-shift based assignments, quality = 0.249, support = 3.9, residual support = 33.3:
      O   HA    SER   82 - HN    SER   82   2.77 +/- 0.03  96.574% * 98.7108% (0.25  10.0   3.90  33.26) =  99.990%  kept
          HA    GLU-  25 - HN    SER   82  16.55 +/- 7.02   1.750% *  0.3170% (0.80   1.0   0.02   0.02) =   0.006%
          HA    CYS   53 - HN    SER   82  20.09 +/- 3.30   0.425% *  0.3880% (0.98   1.0   0.02   0.02) =   0.002%
          HA    ILE   19 - HN    SER   82  19.46 +/- 3.03   0.348% *  0.3820% (0.97   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    SER   82  18.29 +/- 5.56   0.712% *  0.1486% (0.38   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    SER   82  25.56 +/- 3.62   0.190% *  0.0536% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 470 (4.78, 8.64, 114.33 ppm):
    2 chemical-shift based assignments, quality = 0.304, support = 0.02, residual support = 0.02:
          HB    THR   23 - HN    SER   82  15.57 +/- 6.16  67.559% * 32.4951% (0.20   0.02   0.02) =  50.062%  kept
          HA    ASP- 105 - HN    SER   82  22.66 +/- 2.86  32.441% * 67.5049% (0.41   0.02   0.02) =  49.938%  kept
    Distance limit 4.36 A violated in 20 structures by 10.14 A, eliminated.
    Peak unassigned.
 
    Peak 471 (6.59, 8.64, 114.33 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 19.1:
        T HN    VAL   83 - HN    SER   82   2.72 +/- 0.09  99.444% * 99.9274% (1.00 10.00   5.62  19.13) = 100.000%  kept
          HN    CYS   50 - HN    SER   82  17.47 +/- 3.16   0.556% *  0.0726% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 472 (7.29, 8.64, 114.33 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.34, residual support = 13.2:
          HN    LYS+  81 - HN    SER   82   2.60 +/- 0.17  97.534% * 99.3081% (1.00   4.34  13.21) =  99.996%  kept
          QD    PHE   60 - HN    SER   82  17.10 +/- 2.96   0.470% *  0.3676% (0.80   0.02   0.02) =   0.002%
          HE3   TRP   27 - HN    SER   82  15.70 +/- 5.13   1.204% *  0.1022% (0.22   0.02   0.02) =   0.001%
          QD    PHE   55 - HN    SER   82  21.91 +/- 4.02   0.619% *  0.0804% (0.18   0.02   0.02) =   0.001%
          HN    LYS+  66 - HN    SER   82  22.37 +/- 1.82   0.173% *  0.1417% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 473 (7.58, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.748, support = 7.55, residual support = 40.8:
        T HN    ALA   84 - HN    VAL   83   2.61 +/- 0.09  98.983% * 99.6823% (0.75 10.00   7.55  40.77) =  99.999%  kept
          HE21  GLN   32 - HN    VAL   83  22.57 +/- 6.57   0.303% *  0.0840% (0.63  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    VAL   83  21.57 +/- 3.15   0.217% *  0.0997% (0.75  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    VAL   83  21.48 +/- 3.24   0.266% *  0.0730% (0.55  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    VAL   83  20.12 +/- 1.66   0.231% *  0.0610% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 474 (8.64, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.755, support = 5.62, residual support = 19.1:
        T HN    SER   82 - HN    VAL   83   2.72 +/- 0.09  95.746% * 99.8569% (0.75 10.00   5.62  19.13) =  99.998%  kept
          HN    GLN   90 - HN    VAL   83  10.37 +/- 1.50   2.413% *  0.0375% (0.28  1.00   0.02   0.02) =   0.001%
          HN    GLY   16 - HN    VAL   83  22.51 +/- 5.72   1.187% *  0.0525% (0.40  1.00   0.02   0.02) =   0.001%
          HN    ILE  103 - HN    VAL   83  19.00 +/- 4.06   0.465% *  0.0222% (0.17  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    VAL   83  24.61 +/- 3.17   0.188% *  0.0308% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 475 (8.05, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.77, residual support = 20.7:
        T HN    SER   85 - HN    ALA   84   2.86 +/- 0.06  97.075% * 99.8725% (0.99 10.00   3.77  20.66) =  99.999%  kept
          HN    THR   94 - HN    ALA   84  11.51 +/- 1.73   1.912% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ALA   84  19.42 +/- 4.76   0.484% *  0.0874% (0.87  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ALA   84  19.94 +/- 4.58   0.529% *  0.0176% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 476 (6.59, 7.58, 119.96 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 7.55, residual support = 40.8:
        T HN    VAL   83 - HN    ALA   84   2.61 +/- 0.09  99.450% * 99.9274% (1.00 10.00   7.55  40.77) = 100.000%  kept
          HN    CYS   50 - HN    ALA   84  16.13 +/- 2.69   0.550% *  0.0726% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 477 (4.11, 7.58, 119.96 ppm):
    8 chemical-shift based assignments, quality = 0.8, support = 2.24, residual support = 5.52:
          HA    LYS+  81 - HN    ALA   84   3.19 +/- 0.12  90.082% * 95.6655% (0.80   2.24   5.52) =  99.926%  kept
          HA    GLU-  36 - HN    ALA   84  25.41 +/- 6.60   5.871% *  0.7318% (0.69   0.02   0.02) =   0.050%
          HA    ASN   28 - HN    ALA   84  15.98 +/- 5.19   1.598% *  0.5186% (0.49   0.02   0.02) =   0.010%
          HA    ARG+  54 - HN    ALA   84  19.92 +/- 3.37   0.519% *  1.0281% (0.97   0.02   0.02) =   0.006%
          HA    ALA   34 - HN    ALA   84  20.54 +/- 4.69   0.685% *  0.3288% (0.31   0.02   0.02) =   0.003%
          HA    LEU  115 - HN    ALA   84  19.86 +/- 2.18   0.437% *  0.4776% (0.45   0.02   0.02) =   0.002%
          HA    ALA  124 - HN    ALA   84  31.05 +/- 3.59   0.124% *  1.0630% (1.00   0.02   0.02) =   0.002%
          HA1   GLY  101 - HN    ALA   84  20.07 +/- 5.37   0.684% *  0.1866% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 478 (4.16, 6.59, 123.60 ppm):
    6 chemical-shift based assignments, quality = 0.493, support = 0.02, residual support = 0.02:
          HA    CYS   53 - HN    VAL   83  19.86 +/- 3.24  15.532% * 27.0775% (0.70   0.02   0.02) =  25.317%  kept
          HA    GLU-  25 - HN    VAL   83  15.54 +/- 6.63  30.064% * 13.1508% (0.34   0.02   0.02) =  23.799%  kept
          HA    THR   26 - HN    VAL   83  17.09 +/- 5.23  15.781% * 21.2999% (0.55   0.02   0.02) =  20.235%  kept
          HA    ILE   19 - HN    VAL   83  18.26 +/- 2.83  15.821% * 20.1488% (0.52   0.02   0.02) =  19.189%  kept
          HA1   GLY  101 - HN    VAL   83  20.29 +/- 6.04  16.416% *  7.3142% (0.19   0.02   0.02) =   7.228%  kept
          HA    GLU- 114 - HN    VAL   83  24.52 +/- 3.34   6.386% * 11.0089% (0.28   0.02   0.02) =   4.232%  kept
    Distance limit 4.35 A violated in 20 structures by 6.86 A, eliminated.
    Peak unassigned.
 
    Peak 479 (8.06, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.574, support = 2.58, residual support = 5.09:
        T HN    SER   85 - HN    VAL   83   4.36 +/- 0.08  61.349% * 97.9507% (0.58 10.00   2.59   5.14) =  99.054%  kept
          HN    LEU   80 - HN    VAL   83   5.33 +/- 0.39  34.692% *  1.6395% (0.26  1.00   0.75   0.14) =   0.938%  kept
        T HN    CYS   53 - HN    VAL   83  19.88 +/- 3.34   1.235% *  0.2245% (0.13 10.00   0.02   0.02) =   0.005%
          HN    GLN   32 - HN    VAL   83  18.95 +/- 5.68   1.531% *  0.1279% (0.75  1.00   0.02   0.02) =   0.003%
          HN    ALA   34 - HN    VAL   83  19.64 +/- 5.20   1.193% *  0.0575% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 480 (8.63, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.17, residual support = 10.3:
          HN    SER   82 - HN    ALA   84   3.89 +/- 0.11  84.119% * 99.2201% (0.87   4.17  10.27) =  99.938%  kept
          HN    GLN   90 - HN    ALA   84   7.98 +/- 1.40  11.718% *  0.3765% (0.69   0.02   0.02) =   0.053%
          HN    GLY   16 - HN    ALA   84  22.71 +/- 5.61   2.756% *  0.1367% (0.25   0.02   0.02) =   0.005%
          HN    ILE  103 - HN    ALA   84  18.12 +/- 3.61   1.407% *  0.2668% (0.49   0.02   0.02) =   0.004%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 481 (8.32, 8.05, 111.48 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 3.33, residual support = 13.4:
          HN    ASP-  86 - HN    SER   85   2.52 +/- 0.14  98.654% * 97.4522% (0.80   3.33  13.44) =  99.993%  kept
          HN    GLN   30 - HN    SER   85  19.25 +/- 4.20   0.297% *  0.6345% (0.87   0.02   0.02) =   0.002%
          HN    LYS+  99 - HN    SER   85  19.18 +/- 3.84   0.349% *  0.4732% (0.65   0.02   0.02) =   0.002%
          HN    GLU-  14 - HN    SER   85  27.63 +/- 5.64   0.242% *  0.6345% (0.87   0.02   0.02) =   0.002%
          HN    GLU-  29 - HN    SER   85  19.33 +/- 4.69   0.315% *  0.2745% (0.38   0.02   0.02) =   0.001%
          HE1   HIS  122 - HN    SER   85  24.92 +/- 3.87   0.144% *  0.5311% (0.73   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 482 (7.59, 8.05, 111.48 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 3.77, residual support = 20.7:
          HN    ALA   84 - HN    SER   85   2.86 +/- 0.06  94.000% * 97.8180% (0.90   3.77  20.66) =  99.987%  kept
          HZ2   TRP   87 - HN    SER   85   9.09 +/- 0.47   3.019% *  0.1013% (0.18   0.02   0.02) =   0.003%
          HD21  ASN   28 - HN    SER   85  15.56 +/- 6.16   1.631% *  0.1786% (0.31   0.02   0.02) =   0.003%
          HN    ILE   56 - HN    SER   85  21.01 +/- 3.29   0.341% *  0.5672% (0.98   0.02   0.02) =   0.002%
          HN    LYS+ 111 - HN    SER   85  19.80 +/- 2.87   0.366% *  0.5190% (0.90   0.02   0.02) =   0.002%
          HN    LEU   63 - HN    SER   85  20.93 +/- 1.73   0.257% *  0.5342% (0.92   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    SER   85  24.35 +/- 6.28   0.387% *  0.2817% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 483 (6.58, 8.05, 111.48 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.59, residual support = 5.14:
        T HN    VAL   83 - HN    SER   85   4.36 +/- 0.08  97.729% * 99.9526% (0.87 10.00   2.59   5.14) =  99.999%  kept
          HN    CYS   50 - HN    SER   85  17.04 +/- 2.75   2.271% *  0.0474% (0.41  1.00   0.02   0.02) =   0.001%
    Distance limit 4.21 A violated in 0 structures by 0.15 A, kept.
 
    Peak 484 (4.29, 8.05, 111.48 ppm):
    12 chemical-shift based assignments, quality = 0.984, support = 3.65, residual support = 18.0:
      O   HA    SER   85 - HN    SER   85   2.80 +/- 0.05  78.485% * 92.5556% (0.99  10.0   3.65  18.03) =  98.688%  kept
          HA    ASP-  86 - HN    SER   85   4.99 +/- 0.13  14.050% *  6.8359% (0.45   1.0   3.27  13.44) =   1.305%  kept
          HB    THR   77 - HN    SER   85  10.34 +/- 2.53   2.487% *  0.0926% (0.99   1.0   0.02   0.02) =   0.003%
          HA    GLU-  79 - HN    SER   85  10.02 +/- 0.99   1.880% *  0.0566% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    SER   85  13.55 +/- 1.94   0.895% *  0.0934% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    SER   85  17.86 +/- 3.26   0.455% *  0.0883% (0.95   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HN    SER   85  32.68 +/- 7.40   0.222% *  0.0932% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    SER   85  23.13 +/- 5.31   0.383% *  0.0491% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    SER   85  30.57 +/- 6.67   0.380% *  0.0455% (0.49   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    SER   85  20.70 +/- 3.24   0.256% *  0.0384% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    SER   85  27.56 +/- 5.04   0.233% *  0.0350% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    SER   85  20.38 +/- 3.74   0.277% *  0.0164% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 485 (4.15, 8.05, 111.48 ppm):
    9 chemical-shift based assignments, quality = 0.575, support = 0.02, residual support = 0.02:
          HA    THR   26 - HN    SER   85  19.71 +/- 4.25   9.209% * 23.1039% (0.98   0.02   0.02) =  20.858%  kept
          HA    CYS   53 - HN    SER   85  19.23 +/- 3.27  13.783% * 14.2963% (0.61   0.02   0.02) =  19.316%  kept
          HA1   GLY  101 - HN    SER   85  20.68 +/- 5.17  10.122% * 13.3446% (0.57   0.02   0.02) =  13.242%  kept
          HA    GLU- 114 - HN    SER   85  23.28 +/- 3.07   6.528% * 17.1158% (0.73   0.02   0.02) =  10.954%  kept
          HA    ASN   28 - HN    SER   85  17.38 +/- 5.29  17.057% *  5.2476% (0.22   0.02   0.02) =   8.774%  kept
          HA    ALA   34 - HN    SER   85  22.21 +/- 4.71   9.071% *  8.8463% (0.38   0.02   0.02) =   7.866%  kept
          HA    ILE   19 - HN    SER   85  20.73 +/- 2.69   9.434% *  8.0401% (0.34   0.02   0.02) =   7.436%  kept
          HA    GLU-  25 - HN    SER   85  17.87 +/- 5.56  15.925% *  4.1279% (0.18   0.02   0.02) =   6.444%  kept
          HA    LEU  115 - HN    SER   85  20.88 +/- 2.35   8.869% *  5.8774% (0.25   0.02   0.02) =   5.110%  kept
    Distance limit 3.90 A violated in 20 structures by 8.08 A, eliminated.
    Peak unassigned.
 
    Peak 486 (8.05, 8.31, 124.24 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.33, residual support = 13.4:
        T HN    SER   85 - HN    ASP-  86   2.52 +/- 0.14  98.598% * 99.7141% (0.99 10.00   3.33  13.44) =  99.999%  kept
        T HN    ALA   34 - HN    ASP-  86  20.51 +/- 4.67   0.277% *  0.1762% (0.18 10.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ASP-  86  19.73 +/- 5.16   0.307% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    ASP-  86  13.10 +/- 1.16   0.819% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 487 (7.69, 8.31, 124.24 ppm):
    4 chemical-shift based assignments, quality = 0.936, support = 3.71, residual support = 22.7:
          HN    TRP   87 - HN    ASP-  86   2.68 +/- 0.07  95.004% * 74.1783% (0.95   3.71  22.69) =  98.434%  kept
          HE3   TRP   87 - HN    ASP-  86   7.45 +/- 0.19   4.474% * 25.0099% (0.31   3.83  22.69) =   1.563%  kept
          HN    GLN   17 - HN    ASP-  86  23.27 +/- 4.74   0.382% *  0.4217% (1.00   0.02   0.02) =   0.002%
          HD21  ASN   69 - HN    ASP-  86  25.47 +/- 3.54   0.141% *  0.3901% (0.92   0.02   0.02) =   0.001%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 488 (4.31, 8.31, 124.24 ppm):
    9 chemical-shift based assignments, quality = 0.807, support = 4.1, residual support = 40.1:
      O   HA    ASP-  86 - HN    ASP-  86   2.74 +/- 0.03  60.437% * 79.7150% (0.87  10.0   4.16  42.53) =  91.397%  kept
      O   HA    SER   85 - HN    ASP-  86   3.53 +/- 0.02  28.387% * 14.1794% (0.15  10.0   3.26  13.44) =   7.636%  kept
          HA    TRP   87 - HN    ASP-  86   5.23 +/- 0.07   8.774% *  5.8024% (0.28   1.0   4.54  22.69) =   0.966%  kept
          HA    LEU  104 - HN    ASP-  86  19.92 +/- 2.90   0.190% *  0.0887% (0.97   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ASP-  86  11.68 +/- 2.32   1.158% *  0.0142% (0.15   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  86  27.00 +/- 4.85   0.148% *  0.0848% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  86  30.00 +/- 6.53   0.155% *  0.0768% (0.84   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ASP-  86  13.63 +/- 1.83   0.643% *  0.0182% (0.20   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  86  32.12 +/- 7.24   0.109% *  0.0205% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 489 (8.31, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.71, residual support = 22.7:
          HN    ASP-  86 - HN    TRP   87   2.68 +/- 0.07  98.028% * 98.4399% (1.00   3.71  22.69) =  99.993%  kept
          HN    GLN   30 - HN    TRP   87  17.89 +/- 3.79   0.467% *  0.5305% (1.00   0.02   0.02) =   0.003%
          HN    GLU-  29 - HN    TRP   87  18.16 +/- 4.28   0.482% *  0.3861% (0.73   0.02   0.02) =   0.002%
          HN    LYS+  99 - HN    TRP   87  16.12 +/- 3.17   0.583% *  0.1641% (0.31   0.02   0.02) =   0.001%
          HN    GLU-  14 - HN    TRP   87  26.58 +/- 5.28   0.221% *  0.2798% (0.53   0.02   0.02) =   0.001%
          HE1   HIS  122 - HN    TRP   87  23.31 +/- 4.57   0.219% *  0.1996% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 490 (4.33, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.812, support = 3.94, residual support = 64.3:
      O   HA    TRP   87 - HN    TRP   87   2.93 +/- 0.01  64.158% * 78.1363% (0.90  10.0   4.03  70.63) =  86.862%  kept
      O   HA    ASP-  86 - HN    TRP   87   3.60 +/- 0.04  34.899% * 21.7248% (0.25  10.0   3.39  22.69) =  13.137%  kept
          HA    LEU  104 - HN    TRP   87  17.82 +/- 2.54   0.338% *  0.0598% (0.69   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    TRP   87  20.88 +/- 2.93   0.267% *  0.0327% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    TRP   87  26.54 +/- 4.56   0.176% *  0.0269% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    TRP   87  29.72 +/- 6.20   0.161% *  0.0194% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 491 (7.73, 10.56, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.295, support = 1.88, residual support = 70.5:
      O   HD1   TRP   87 - HE1   TRP   87   2.64 +/- 0.00  85.200% * 69.3633% (0.28  10.0   1.87  70.63) =  96.256%  kept
          HE3   TRP   87 - HE1   TRP   87   5.48 +/- 0.00   9.500% * 23.1724% (0.73   1.0   2.39  70.63) =   3.585%  kept
          HN    TRP   27 - HE1   TRP   87  13.35 +/- 4.57   1.313% *  6.8591% (0.90   1.0   0.57   5.63) =   0.147%  kept
          HN    ALA   91 - HE1   TRP   87  11.14 +/- 1.50   1.984% *  0.2648% (0.99   1.0   0.02   0.02) =   0.009%
          HN    THR   39 - HE1   TRP   87  18.68 +/- 5.56   1.678% *  0.0825% (0.31   1.0   0.02   0.02) =   0.002%
          HN    ALA   61 - HE1   TRP   87  17.77 +/- 2.39   0.325% *  0.2579% (0.97   1.0   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 492 (6.74, 10.56, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.8, support = 2.0, residual support = 5.62:
          HZ2   TRP   27 - HE1   TRP   87  10.12 +/- 7.17  64.768% * 99.7535% (0.80   2.00   5.63) =  99.866%  kept
          HZ    PHE   72 - HE1   TRP   87  15.43 +/- 2.61  35.232% *  0.2465% (0.20   0.02   0.02) =   0.134%  kept
    Distance limit 4.28 A violated in 11 structures by 5.26 A, kept.
 
    Peak 493 (4.31, 7.82, 121.71 ppm):
    9 chemical-shift based assignments, quality = 0.314, support = 2.83, residual support = 4.67:
      O   HA    TRP   87 - HN    ALA   88   3.29 +/- 0.09  32.295% * 88.7548% (0.28  10.0   2.97   4.98) =  93.760%  kept
          HA    ASP-  86 - HN    ALA   88   3.97 +/- 0.26  18.558% * 10.1431% (0.87   1.0   0.73   0.02) =   6.157%  kept
          HA    SER   85 - HN    ALA   88   2.94 +/- 0.38  45.657% *  0.0493% (0.15   1.0   0.02   0.02) =   0.074%
          HB    THR   77 - HN    ALA   88  12.37 +/- 3.20   2.156% *  0.0493% (0.15   1.0   0.02   0.02) =   0.003%
          HA    LEU  104 - HN    ALA   88  18.45 +/- 2.30   0.200% *  0.3081% (0.97   1.0   0.02   0.02) =   0.002%
          HA    ASP-  44 - HN    ALA   88  12.76 +/- 1.74   0.853% *  0.0632% (0.20   1.0   0.02   0.02) =   0.002%
          HA    GLU-  14 - HN    ALA   88  28.18 +/- 4.69   0.095% *  0.2947% (0.92   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HN    ALA   88  31.33 +/- 6.33   0.104% *  0.2666% (0.84   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HN    ALA   88  33.52 +/- 6.95   0.083% *  0.0711% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 494 (4.32, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.601, support = 0.851, residual support = 17.0:
          HA    TRP   87 - HN    ILE   89   4.18 +/- 0.17  74.913% * 76.9529% (0.61   0.89  18.04) =  94.028%  kept
          HA    ASP-  86 - HN    ILE   89   6.40 +/- 0.41  21.478% * 16.8032% (0.53   0.22   0.02) =   5.887%  kept
          HA    LEU  104 - HN    ILE   89  17.29 +/- 2.01   1.179% *  2.6927% (0.95   0.02   0.02) =   0.052%
          HA    GLU-  14 - HN    ILE   89  27.54 +/- 4.04   0.431% *  1.7265% (0.61   0.02   0.02) =   0.012%
          HA    PHE   59 - HN    ILE   89  19.28 +/- 3.26   1.520% *  0.4392% (0.15   0.02   0.02) =   0.011%
          HA    ALA   12 - HN    ILE   89  30.86 +/- 5.63   0.478% *  1.3855% (0.49   0.02   0.02) =   0.011%
    Distance limit 4.37 A violated in 0 structures by 0.02 A, kept.
 
    Peak 495 (7.72, 8.62, 127.39 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 6.75, residual support = 32.4:
          HN    ALA   91 - HN    GLN   90   2.13 +/- 0.39  97.809% * 99.1369% (0.92   6.75  32.36) =  99.994%  kept
          HE3   TRP   87 - HN    GLN   90  10.10 +/- 0.57   1.222% *  0.3072% (0.97   0.02   0.02) =   0.004%
          HN    ALA   61 - HN    GLN   90  16.34 +/- 3.50   0.601% *  0.3072% (0.97   0.02   0.02) =   0.002%
          HN    TRP   27 - HN    GLN   90  18.72 +/- 2.66   0.229% *  0.1930% (0.61   0.02   0.02) =   0.000%
          HN    GLN   17 - HN    GLN   90  23.77 +/- 4.79   0.139% *  0.0557% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 496 (4.48, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.391, support = 5.3, residual support = 83.9:
      O   HA    GLN   90 - HN    GLN   90   2.70 +/- 0.24  78.284% * 68.5429% (0.34  10.0   5.48  89.27) =  90.498%  kept
          HA    ALA   91 - HN    GLN   90   4.57 +/- 0.34  18.157% * 31.0033% (0.87   1.0   3.56  32.36) =   9.494%  kept
          HA    VAL  107 - HN    GLN   90  12.61 +/- 1.98   1.110% *  0.1939% (0.97   1.0   0.02   0.02) =   0.004%
          HA    ALA  110 - HN    GLN   90  12.34 +/- 2.62   1.878% *  0.0901% (0.45   1.0   0.02   0.02) =   0.003%
          HA    TRP   27 - HN    GLN   90  18.40 +/- 2.46   0.278% *  0.1300% (0.65   1.0   0.02   0.02) =   0.001%
          HA    PHE   55 - HN    GLN   90  18.63 +/- 2.67   0.293% *  0.0398% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 497 (6.79, 7.39, 112.01 ppm):
    3 chemical-shift based assignments, quality = 0.922, support = 1.0, residual support = 89.3:
      O T HE22  GLN   90 - HE21  GLN   90   1.73 +/- 0.00  97.635% * 99.0596% (0.92  10.0 10.00   1.00  89.27) =  99.990%  kept
        T HE22  GLN   32 - HE21  GLN   90  27.91 +/- 6.77   1.039% *  0.8963% (0.83   1.0 10.00   0.02   0.02) =   0.010%
          HE22  GLN   17 - HE21  GLN   90  27.75 +/- 7.05   1.326% *  0.0441% (0.41   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 498 (7.38, 6.80, 112.00 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 1.0, residual support = 89.3:
      O   HE21  GLN   90 - HE22  GLN   90   1.73 +/- 0.00  95.386% * 99.4024% (0.76  10.0   1.00  89.27) =  99.997%  kept
          HD21  ASN   35 - HE22  GLN   90  27.84 +/- 6.70   0.650% *  0.1683% (0.65   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HE22  GLN   32   8.11 +/- 1.99   1.230% *  0.0646% (0.25   1.0   0.02   3.40) =   0.001%
          HE21  GLN   90 - HE22  GLN   32  27.91 +/- 6.77   1.017% *  0.0763% (0.29   1.0   0.02   0.02) =   0.001%
          HD1   TRP   49 - HE22  GLN   90  14.56 +/- 4.44   1.162% *  0.0401% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   90  21.26 +/- 4.40   0.077% *  0.0579% (0.22   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HE22  GLN   32  31.59 +/- 6.31   0.230% *  0.0154% (0.06   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   90  23.95 +/- 4.04   0.050% *  0.0649% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   32  18.29 +/- 2.05   0.095% *  0.0249% (0.10   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   90  25.83 +/- 4.25   0.045% *  0.0456% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   32  29.98 +/- 4.28   0.040% *  0.0222% (0.09   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   32  33.36 +/- 4.32   0.017% *  0.0175% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 499 (8.62, 7.72, 122.85 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.75, residual support = 32.4:
        T HN    GLN   90 - HN    ALA   91   2.13 +/- 0.39  89.154% * 99.6698% (0.95 10.00   6.75  32.36) =  99.995%  kept
          HN    GLY  109 - HN    ALA   91   9.08 +/- 2.59   7.052% *  0.0554% (0.53  1.00   0.02   0.02) =   0.004%
        T HN    GLN   90 - HN    TRP   27  18.72 +/- 2.66   0.208% *  0.1232% (0.12 10.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.21 +/- 1.88   0.995% *  0.0235% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  18.34 +/- 4.87   1.685% *  0.0130% (0.12  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  18.67 +/- 1.46   0.185% *  0.1054% (1.00  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  15.71 +/- 5.81   0.627% *  0.0029% (0.03  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  23.01 +/- 1.94   0.093% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 500 (5.58, 7.72, 122.85 ppm):
    2 chemical-shift based assignments, quality = 0.415, support = 0.02, residual support = 9.79:
          HA    LEU   73 - HN    ALA   91  17.50 +/- 1.90  15.145% * 89.0027% (0.65   0.02   0.02) =  59.091%  kept
          HA    LEU   73 - HN    TRP   27   8.53 +/- 1.15  84.855% * 10.9973% (0.08   0.02  23.90) =  40.909%  kept
    Distance limit 4.47 A violated in 20 structures by 4.00 A, eliminated.
    Peak unassigned.
 
    Peak 501 (4.49, 7.72, 122.85 ppm):
    10 chemical-shift based assignments, quality = 0.89, support = 2.76, residual support = 23.6:
      O   HA    ALA   91 - HN    ALA   91   2.91 +/- 0.03  43.784% * 89.2967% (1.00  10.0   2.45  12.80) =  87.751%  kept
      O   HA    TRP   27 - HN    TRP   27   2.74 +/- 0.02  52.160% * 10.4606% (0.12  10.0   4.93 100.64) =  12.246%  kept
          HA    VAL  107 - HN    ALA   91  12.40 +/- 1.96   0.767% *  0.0847% (0.95   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    ALA   91  11.28 +/- 2.95   2.187% *  0.0157% (0.18   1.0   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    ALA   91  15.90 +/- 3.54   0.500% *  0.0305% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  19.59 +/- 2.47   0.165% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  21.46 +/- 2.67   0.123% *  0.0110% (0.12   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.76 +/- 2.54   0.122% *  0.0105% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  25.19 +/- 3.90   0.107% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    TRP   27  24.81 +/- 3.16   0.084% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 503 (4.88, 8.46, 118.59 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.21, residual support = 61.2:
      O   HA    MET   92 - HN    MET   92   2.44 +/- 0.23  96.729% * 99.1845% (0.25  10.0   4.21  61.21) =  99.996%  kept
          HA    PHE   45 - HN    MET   92   8.53 +/- 1.42   2.870% *  0.0992% (0.25   1.0   0.02   0.02) =   0.003%
          HA    VAL   41 - HN    MET   92  18.94 +/- 2.31   0.245% *  0.3185% (0.80   1.0   0.02   0.02) =   0.001%
          HA    HIS  122 - HN    MET   92  23.83 +/- 2.97   0.156% *  0.3978% (1.00   1.0   0.02   0.02) =   0.001%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 504 (4.50, 8.46, 118.59 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 2.99, residual support = 9.24:
      O   HA    ALA   91 - HN    MET   92   2.23 +/- 0.06  96.267% * 99.6892% (0.80  10.0   2.99   9.24) =  99.998%  kept
          HA    PRO   52 - HN    MET   92  12.95 +/- 3.71   0.983% *  0.0855% (0.69   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 111 - HN    MET   92  12.02 +/- 3.53   2.141% *  0.0246% (0.20   1.0   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    MET   92  13.72 +/- 1.39   0.477% *  0.0805% (0.65   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    MET   92  20.98 +/- 2.48   0.133% *  0.1201% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 505 (8.75, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.44, residual support = 27.3:
        T HN    PHE   45 - HN    THR   94   3.16 +/- 0.57  90.488% * 97.7599% (0.95 10.00   3.45  27.35) =  99.760%  kept
          HN    ALA  110 - HN    THR   94   8.39 +/- 2.10   9.512% *  2.2401% (1.00  1.00   0.43   0.02) =   0.240%  kept
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 506 (5.60, 8.03, 115.19 ppm):
    1 chemical-shift based assignment, quality = 0.135, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - HN    THR   94   9.14 +/- 0.49 100.000% *100.0000% (0.14   0.02   0.02) = 100.000%  kept
    Distance limit 4.39 A violated in 20 structures by 4.74 A, eliminated.
    Peak unassigned.
 
    Peak 507 (5.04, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.223, support = 4.07, residual support = 15.6:
      O   HA    PRO   93 - HN    THR   94   2.17 +/- 0.07  97.132% * 99.9112% (0.22  10.0   4.07  15.58) =  99.997%  kept
          HA    ASP-  76 - HN    THR   94  10.05 +/- 4.10   2.868% *  0.0888% (0.20   1.0   0.02   0.02) =   0.003%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 508 (4.91, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.95, support = 0.02, residual support = 0.02:
          HA    MET   92 - HN    THR   94   5.90 +/- 0.31  80.712% * 54.6147% (1.00   0.02   0.02) =  88.423%  kept
          HA    LYS+  74 - HN    THR   94  11.01 +/- 2.46  16.279% * 33.1992% (0.61   0.02   0.02) =  10.841%  kept
          HA    HIS  122 - HN    THR   94  18.51 +/- 2.74   3.009% * 12.1862% (0.22   0.02   0.02) =   0.736%  kept
    Distance limit 3.81 A violated in 20 structures by 2.05 A, eliminated.
    Peak unassigned.
 
    Peak 509 (9.56, 9.87, 125.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 2.11, residual support = 47.0:
          HN    VAL  107 - HN    PHE   95   3.53 +/- 0.56  97.193% * 99.1014% (0.97   2.11  46.96) =  99.974%  kept
          HN    GLY   51 - HN    PHE   95  14.77 +/- 2.57   2.807% *  0.8986% (0.92   0.02   0.02) =   0.026%
    Distance limit 4.01 A violated in 0 structures by 0.07 A, kept.
 
    Peak 510 (7.01, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.85, residual support = 73.4:
          QD    PHE   95 - HN    PHE   95   3.23 +/- 0.59  89.275% * 99.3365% (0.87   3.85  73.44) =  99.961%  kept
          HN    ALA   47 - HN    PHE   95  10.66 +/- 1.74   5.044% *  0.5154% (0.87   0.02   0.17) =   0.029%
          QE    PHE   72 - HN    PHE   95  10.84 +/- 2.22   5.681% *  0.1482% (0.25   0.02   0.02) =   0.009%
    Distance limit 3.89 A violated in 0 structures by 0.01 A, kept.
 
    Peak 511 (5.96, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.32, residual support = 73.4:
      O   HA    PHE   95 - HN    PHE   95   2.93 +/- 0.01 100.000% *100.0000% (1.00  10.0   4.32  73.44) = 100.000%  kept
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 512 (4.94, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.16, residual support = 14.6:
      O   HA    THR   94 - HN    PHE   95   2.24 +/- 0.10  97.926% * 99.8515% (0.65  10.0   3.16  14.59) =  99.999%  kept
          HA    LYS+  74 - HN    PHE   95  12.63 +/- 2.38   0.666% *  0.1180% (0.76   1.0   0.02   0.02) =   0.001%
          HA    MET   92 - HN    PHE   95   9.26 +/- 0.19   1.408% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 513 (5.96, 9.32, 123.66 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.99, residual support = 12.0:
      O   HA    PHE   95 - HN    MET   96   2.20 +/- 0.01 100.000% *100.0000% (0.95  10.0   3.99  11.96) = 100.000%  kept
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 514 (5.31, 9.32, 123.66 ppm):
    2 chemical-shift based assignments, quality = 0.938, support = 4.09, residual support = 115.4:
      O   HA    MET   96 - HN    MET   96   2.91 +/- 0.01  97.138% * 99.9800% (0.94  10.0   4.09 115.40) =  99.999%  kept
          HA    PHE   72 - HN    MET   96  11.15 +/- 2.12   2.862% *  0.0200% (0.19   1.0   0.02   0.02) =   0.001%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 515 (7.80, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 4.88, residual support = 60.5:
        T HN    ASP- 105 - HN    PHE   97   3.44 +/- 0.74  97.260% * 99.9802% (1.00 10.00   4.88  60.54) =  99.999%  kept
          HN    ALA   88 - HN    PHE   97  13.54 +/- 1.98   2.740% *  0.0198% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.30 A violated in 0 structures by 0.09 A, kept.
 
    Peak 516 (7.12, 8.40, 123.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.07, residual support = 62.2:
          QD    PHE   97 - HN    PHE   97   2.65 +/- 0.78  94.965% * 98.9857% (0.80   4.07  62.20) =  99.972%  kept
          HZ3   TRP   87 - HN    PHE   97  10.29 +/- 3.73   4.454% *  0.5274% (0.87   0.02   0.02) =   0.025%
          HE3   TRP   49 - HN    PHE   97  21.56 +/- 3.78   0.581% *  0.4869% (0.80   0.02   0.02) =   0.003%
    Distance limit 3.57 A violated in 0 structures by 0.04 A, kept.
 
    Peak 517 (5.62, 8.40, 123.79 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.15, residual support = 11.6:
          HA    LYS+ 106 - HN    PHE   97   3.34 +/- 0.54 100.000% *100.0000% (0.98   3.15  11.55) = 100.000%  kept
    Distance limit 4.37 A violated in 0 structures by 0.02 A, kept.
 
    Peak 518 (5.31, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 6.07, residual support = 44.1:
      O   HA    MET   96 - HN    PHE   97   2.24 +/- 0.05  99.235% * 99.9800% (0.99  10.0   6.07  44.15) = 100.000%  kept
          HA    PHE   72 - HN    PHE   97  13.02 +/- 2.33   0.765% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 519 (9.01, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 5.01, residual support = 20.0:
        T HN    VAL   41 - HN    LEU   98   7.26 +/- 5.63 100.000% *100.0000% (0.69 10.00   5.01  20.04) = 100.000%  kept
    Distance limit 4.00 A violated in 8 structures by 3.38 A, kept.
 
    Peak 520 (5.50, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.97, residual support = 76.6:
      O   HA    LEU   98 - HN    LEU   98   2.91 +/- 0.03 100.000% *100.0000% (0.80  10.0   4.97  76.63) = 100.000%  kept
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 521 (5.36, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.34, residual support = 10.6:
      O   HA    PHE   97 - HN    LEU   98   2.22 +/- 0.06 100.000% *100.0000% (0.98  10.0   3.34  10.63) = 100.000%  kept
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 522 (4.42, 9.69, 125.68 ppm):
    8 chemical-shift based assignments, quality = 0.492, support = 1.4, residual support = 4.29:
          HA    VAL   42 - HN    LEU   98   5.79 +/- 4.48  49.251% * 24.6269% (0.45   0.84   0.37) =  49.719%  kept
          HA    LEU   40 - HN    LEU   98   8.99 +/- 5.81  17.254% * 68.7848% (0.53   2.01   8.43) =  48.650%  kept
          HA    GLN   17 - HN    LEU   98  15.72 +/- 5.01  12.104% *  1.2564% (0.97   0.02   0.02) =   0.623%  kept
          HA    THR   46 - HN    LEU   98  15.51 +/- 1.45  11.652% *  1.2904% (0.99   0.02   0.02) =   0.616%  kept
          HA    GLU-  15 - HN    LEU   98  17.57 +/- 4.29   3.071% *  0.9454% (0.73   0.02   0.02) =   0.119%  kept
          HA    PRO   58 - HN    LEU   98  17.27 +/- 2.97   2.679% *  0.8943% (0.69   0.02   0.02) =   0.098%
          HA    SER   13 - HN    LEU   98  22.76 +/- 4.87   2.463% *  0.9454% (0.73   0.02   0.02) =   0.095%
          HA    SER   37 - HN    LEU   98  16.88 +/- 4.86   1.525% *  1.2564% (0.97   0.02   0.02) =   0.079%
    Distance limit 4.47 A violated in 3 structures by 0.71 A, kept.
 
    Peak 523 (7.77, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.844, support = 1.15, residual support = 1.44:
          HN    LYS+ 102 - HN    LYS+  99   3.51 +/- 0.62  68.810% * 58.6748% (0.95   0.86   1.59) =  86.819%  kept
          HN    ASP- 105 - HN    LYS+  99   6.27 +/- 0.38  15.702% * 38.7746% (0.18   3.06   0.44) =  13.092%  kept
          HN    GLU-  36 - HN    LYS+  99  16.15 +/- 5.70   1.246% *  1.1571% (0.80   0.02   0.02) =   0.031%
          HN    THR   39 - HN    LYS+  99  13.91 +/- 6.61   2.347% *  0.5423% (0.38   0.02   0.02) =   0.027%
          HD1   TRP   87 - HN    LYS+  99  15.35 +/- 3.43   1.452% *  0.5941% (0.41   0.02   0.02) =   0.019%
          HN    GLU-  36 - HN    GLN   30   9.80 +/- 0.69   3.912% *  0.0760% (0.05   0.02   0.02) =   0.006%
          HN    THR   39 - HN    GLN   30  11.46 +/- 1.64   3.477% *  0.0356% (0.02   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HN    GLN   30  17.12 +/- 4.22   1.157% *  0.0898% (0.06   0.02   0.02) =   0.002%
          HD1   TRP   87 - HN    GLN   30  16.54 +/- 3.65   0.991% *  0.0390% (0.03   0.02   0.02) =   0.001%
          HN    ASP- 105 - HN    GLN   30  18.26 +/- 3.12   0.906% *  0.0166% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.24 A, kept.
 
    Peak 524 (5.51, 8.33, 118.17 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.37, residual support = 18.6:
      O   HA    LEU   98 - HN    LYS+  99   2.29 +/- 0.06  99.581% * 99.9934% (0.99  10.0   4.37  18.55) = 100.000%  kept
          HA    LEU   98 - HN    GLN   30  15.99 +/- 3.38   0.419% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 525 (4.37, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.801, support = 5.26, residual support = 175.1:
      O   HA    LYS+  99 - HN    LYS+  99   2.91 +/- 0.02  90.494% * 99.5300% (0.80  10.0   5.26 175.13) =  99.997%  kept
          HA    ASN   35 - HN    LYS+  99  14.52 +/- 6.73   1.966% *  0.0804% (0.65   1.0   0.02   0.02) =   0.002%
          HA    PHE   59 - HN    LYS+  99  19.41 +/- 3.30   0.488% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LYS+  99  22.73 +/- 2.45   0.214% *  0.1240% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  99  22.47 +/- 6.51   0.377% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  99  22.63 +/- 2.96   0.235% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    LYS+  99  14.88 +/- 3.21   0.898% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN   30  10.47 +/- 0.94   2.206% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLN   30  14.44 +/- 4.05   1.572% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLN   30  20.85 +/- 3.40   0.372% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLN   30  24.41 +/- 3.54   0.312% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLN   30  28.49 +/- 3.42   0.119% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLN   30  25.92 +/- 4.61   0.180% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN   30  18.32 +/- 3.84   0.564% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 526 (8.85, 10.11, 128.03 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.61, residual support = 14.9:
        T HN    GLY  101 - HN    GLU- 100   3.41 +/- 0.60  79.572% * 99.8998% (1.00 10.00   3.61  14.94) =  99.974%  kept
          HN    LEU   40 - HN    GLU- 100  11.20 +/- 8.16  20.428% *  0.1002% (0.14  1.00   0.15   0.02) =   0.026%
    Distance limit 4.03 A violated in 0 structures by 0.01 A, kept.
 
    Peak 527 (4.37, 10.11, 128.03 ppm):
    7 chemical-shift based assignments, quality = 0.99, support = 6.82, residual support = 38.5:
      O   HA    LYS+  99 - HN    GLU- 100   2.23 +/- 0.06  80.657% * 99.2550% (0.99  10.0   6.83  38.54) =  99.925%  kept
          HA    LEU   40 - HN    GLU- 100   9.46 +/- 8.08  15.778% *  0.3619% (0.20   1.0   0.37   0.02) =   0.071%
          HA    ASN   35 - HN    GLU- 100  11.77 +/- 7.76   3.181% *  0.0924% (0.92   1.0   0.02   0.02) =   0.004%
          HA    LEU  123 - HN    GLU- 100  23.72 +/- 6.71   0.129% *  0.0802% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU- 100  24.70 +/- 2.73   0.069% *  0.0898% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU- 100  25.69 +/- 2.55   0.057% *  0.0898% (0.90   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 100  21.03 +/- 3.27   0.129% *  0.0309% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 529 (7.77, 8.85, 104.25 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.13, residual support = 12.5:
          HN    LYS+ 102 - HN    GLY  101   2.51 +/- 0.77  92.983% * 98.8236% (0.95   3.13  12.52) =  99.980%  kept
          HN    GLU-  36 - HN    GLY  101  15.28 +/- 6.39   1.295% *  0.5345% (0.80   0.02   0.02) =   0.008%
          HN    THR   39 - HN    GLY  101  13.81 +/- 7.29   2.357% *  0.2505% (0.38   0.02   0.02) =   0.006%
          HN    ASP- 105 - HN    GLY  101   9.66 +/- 0.65   2.432% *  0.1169% (0.18   0.02   0.02) =   0.003%
          HD1   TRP   87 - HN    GLY  101  17.16 +/- 4.11   0.933% *  0.2744% (0.41   0.02   0.02) =   0.003%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 530 (8.33, 7.76, 120.90 ppm):
    6 chemical-shift based assignments, quality = 0.979, support = 0.857, residual support = 1.59:
          HN    LYS+  99 - HN    LYS+ 102   3.51 +/- 0.62  90.437% * 94.6403% (0.98   0.86   1.59) =  99.859%  kept
          HE1   HIS  122 - HN    LYS+ 102  20.04 +/- 7.69   2.793% *  2.1278% (0.95   0.02   0.02) =   0.069%
          HN    GLU-  14 - HN    LYS+ 102  23.28 +/- 5.92   2.219% *  1.8788% (0.84   0.02   0.02) =   0.049%
          HN    GLN   30 - HN    LYS+ 102  17.12 +/- 4.22   1.536% *  0.5609% (0.25   0.02   0.02) =   0.010%
          HN    ASN   35 - HN    LYS+ 102  15.37 +/- 6.40   2.219% *  0.3471% (0.15   0.02   0.02) =   0.009%
          HN    ASP-  86 - HN    LYS+ 102  19.25 +/- 4.21   0.796% *  0.4451% (0.20   0.02   0.02) =   0.004%
    Distance limit 3.66 A violated in 0 structures by 0.19 A, kept.
 
    Peak 531 (8.85, 7.76, 120.90 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.13, residual support = 12.5:
        T HN    GLY  101 - HN    LYS+ 102   2.51 +/- 0.77  98.736% * 99.9864% (1.00 10.00   3.13  12.52) = 100.000%  kept
          HN    LEU   40 - HN    LYS+ 102  14.66 +/- 7.46   1.264% *  0.0136% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.02 A, kept.
 
    Peak 532 (10.10, 8.85, 104.25 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.61, residual support = 14.9:
        T HN    GLU- 100 - HN    GLY  101   3.41 +/- 0.60 100.000% *100.0000% (0.80 10.00   3.61  14.94) = 100.000%  kept
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 533 (4.37, 8.85, 104.25 ppm):
    7 chemical-shift based assignments, quality = 0.983, support = 1.42, residual support = 1.39:
          HA    LYS+  99 - HN    GLY  101   4.21 +/- 0.58  74.282% * 90.4959% (0.99   1.43   1.40) =  98.828%  kept
          HA    LEU   40 - HN    GLY  101  11.87 +/- 7.50  14.562% *  4.6164% (0.20   0.37   0.02) =   0.988%  kept
          HA    ASN   35 - HN    GLY  101  13.73 +/- 7.57   9.078% *  1.1792% (0.92   0.02   0.02) =   0.157%  kept
          HA    LEU  123 - HN    GLY  101  25.07 +/- 6.39   0.561% *  1.0229% (0.80   0.02   0.02) =   0.008%
          HA    ILE   56 - HN    GLY  101  25.82 +/- 2.72   0.416% *  1.1456% (0.90   0.02   0.02) =   0.007%
          HA    ASP- 113 - HN    GLY  101  26.14 +/- 2.23   0.378% *  1.1456% (0.90   0.02   0.02) =   0.006%
          HA    PHE   59 - HN    GLY  101  22.51 +/- 2.79   0.724% *  0.3943% (0.31   0.02   0.02) =   0.004%
    Distance limit 4.78 A violated in 0 structures by 0.02 A, kept.
 
    Peak 534 (4.14, 8.85, 104.25 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 2.86, residual support = 15.4:
      O   HA1   GLY  101 - HN    GLY  101   2.72 +/- 0.17  95.430% * 99.5220% (1.00  10.0   2.86  15.43) =  99.996%  kept
          HA    ASN   28 - HN    GLY  101  15.04 +/- 5.26   1.773% *  0.0833% (0.84   1.0   0.02   0.02) =   0.002%
          HA    ALA   34 - HN    GLY  101  14.15 +/- 5.82   1.424% *  0.0963% (0.97   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    GLY  101  18.69 +/- 4.62   0.659% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLY  101  21.23 +/- 2.39   0.228% *  0.0865% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLY  101  23.29 +/- 2.78   0.181% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLY  101  26.23 +/- 7.44   0.199% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    GLY  101  27.62 +/- 3.55   0.105% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 535 (9.36, 8.62, 122.05 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 6.57, residual support = 38.8:
          HN    LEU  104 - HN    ILE  103   4.58 +/- 0.17  97.685% * 99.3911% (0.49   6.57  38.81) =  99.985%  kept
          HN    PHE   72 - HN    ILE  103  17.67 +/- 3.42   2.315% *  0.6089% (0.98   0.02   0.02) =   0.015%
    Distance limit 4.51 A violated in 0 structures by 0.11 A, kept.
 
    Peak 536 (4.60, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.98, residual support = 23.2:
      O   HA    LYS+ 102 - HN    ILE  103   2.34 +/- 0.15  96.787% * 99.7796% (0.97  10.0   5.98  23.23) =  99.998%  kept
          HA    CYS   21 - HN    ILE  103  20.00 +/- 4.68   1.843% *  0.0710% (0.69   1.0   0.02   0.02) =   0.001%
          HA    ALA   20 - HN    ILE  103  19.54 +/- 4.27   0.681% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ILE  103  26.72 +/- 5.46   0.301% *  0.0503% (0.49   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    ILE  103  18.76 +/- 0.87   0.199% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    CYS   50 - HN    ILE  103  24.78 +/- 4.41   0.188% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 537 (4.28, 8.62, 122.05 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 7.01, residual support = 138.7:
      O   HA    ILE  103 - HN    ILE  103   2.73 +/- 0.14  94.639% * 99.2916% (0.98  10.0   7.01 138.66) =  99.996%  kept
          HA    GLU-  79 - HN    ILE  103  21.35 +/- 5.21   0.918% *  0.0908% (0.90   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    ILE  103  16.58 +/- 6.29   0.850% *  0.0846% (0.84   1.0   0.02   0.02) =   0.001%
          HB    THR   77 - HN    ILE  103  20.40 +/- 3.67   0.738% *  0.0935% (0.92   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    ILE  103  14.87 +/- 2.01   0.678% *  0.0879% (0.87   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ILE  103  18.18 +/- 3.31   0.425% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ILE  103  27.70 +/- 4.21   0.188% *  0.0736% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ILE  103  16.73 +/- 3.80   0.651% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ILE  103  30.22 +/- 5.22   0.133% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ILE  103  21.70 +/- 2.96   0.222% *  0.0416% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE  103  27.93 +/- 5.74   0.269% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE  103  24.95 +/- 5.24   0.290% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 538 (7.80, 9.38, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 6.91, residual support = 36.1:
        T HN    ASP- 105 - HN    LEU  104   2.31 +/- 0.61  99.515% * 99.9802% (1.00 10.00   6.91  36.07) = 100.000%  kept
          HN    ALA   88 - HN    LEU  104  16.20 +/- 2.17   0.485% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 539 (5.50, 9.38, 128.74 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.72, residual support = 11.0:
          HA    LEU   98 - HN    LEU  104   3.10 +/- 0.77 100.000% *100.0000% (0.80   3.72  11.02) = 100.000%  kept
    Distance limit 3.93 A violated in 1 structures by 0.08 A, kept.
 
    Peak 540 (4.29, 9.38, 128.74 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 6.57, residual support = 38.8:
      O   HA    ILE  103 - HN    LEU  104   2.48 +/- 0.35  94.863% * 99.2645% (0.95  10.0   6.57  38.81) =  99.996%  kept
          HA    ASP-  44 - HN    LEU  104  12.33 +/- 1.96   1.625% *  0.1049% (1.00   1.0   0.02   0.02) =   0.002%
          HB    THR   77 - HN    LEU  104  19.03 +/- 2.93   0.478% *  0.1040% (0.99   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    LEU  104  15.22 +/- 5.67   0.764% *  0.0552% (0.53   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU  104  18.33 +/- 2.84   0.369% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU  104  20.73 +/- 4.50   0.471% *  0.0636% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    LEU  104  17.71 +/- 2.80   0.365% *  0.0470% (0.45   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU  104  29.75 +/- 5.03   0.097% *  0.1047% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    LEU  104  27.33 +/- 5.38   0.183% *  0.0511% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU  104  18.51 +/- 2.85   0.439% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    LEU  104  24.02 +/- 4.66   0.199% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU  104  25.26 +/- 3.33   0.146% *  0.0431% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.04 A, kept.
 
    Peak 541 (8.39, 7.80, 116.22 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.88, residual support = 60.5:
        T HN    PHE   97 - HN    ASP- 105   3.44 +/- 0.74  96.054% * 99.7623% (0.73 10.00   4.88  60.54) =  99.997%  kept
          HN    LEU  115 - HN    ASP- 105  14.31 +/- 2.84   2.283% *  0.0998% (0.73  1.00   0.02   0.02) =   0.002%
          HN    ASN   35 - HN    ASP- 105  17.83 +/- 3.91   1.222% *  0.0382% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ASP- 105  29.07 +/- 4.88   0.441% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 1 structures by 0.13 A, kept.
 
    Peak 542 (9.39, 7.80, 116.22 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 6.91, residual support = 36.1:
        T HN    LEU  104 - HN    ASP- 105   2.31 +/- 0.61  99.241% * 99.9822% (0.87 10.00   6.91  36.07) = 100.000%  kept
          HN    PHE   72 - HN    ASP- 105  15.41 +/- 2.54   0.759% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.02 A, kept.
 
    Peak 543 (5.63, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 5.17, residual support = 135.5:
      O   HA    LYS+ 106 - HN    LYS+ 106   2.88 +/- 0.04 100.000% *100.0000% (0.95  10.0   5.17 135.48) = 100.000%  kept
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 544 (4.80, 8.97, 118.18 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.49, residual support = 22.2:
      O   HA    ASP- 105 - HN    LYS+ 106   2.48 +/- 0.11  99.152% * 99.6913% (0.92  10.0   3.49  22.22) =  99.999%  kept
          HB    THR   23 - HN    LYS+ 106  23.39 +/- 4.11   0.200% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    LYS+ 106  21.84 +/- 4.25   0.285% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    LYS+ 106  21.31 +/- 2.59   0.181% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    LYS+ 106  21.67 +/- 2.69   0.181% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 545 (4.80, 7.80, 116.22 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 4.35, residual support = 41.3:
      O   HA    ASP- 105 - HN    ASP- 105   2.84 +/- 0.05  98.063% * 99.6913% (0.92  10.0   4.35  41.30) =  99.998%  kept
          HB    THR   23 - HN    ASP- 105  21.64 +/- 4.55   0.478% *  0.1078% (1.00   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HN    ASP- 105  20.32 +/- 4.65   0.719% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    ASP- 105  20.66 +/- 3.14   0.343% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ASP- 105  21.48 +/- 3.25   0.397% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 546 (4.29, 7.80, 116.22 ppm):
    12 chemical-shift based assignments, quality = 0.385, support = 5.83, residual support = 31.4:
      O   HA    LEU  104 - HN    ASP- 105   3.50 +/- 0.30  58.490% * 77.0283% (0.34  10.0   6.31  36.07) =  85.649%  kept
          HA    ILE  103 - HN    ASP- 105   4.46 +/- 0.82  34.969% * 21.5607% (0.65   1.0   2.95   3.39) =  14.333%  kept
          HA    ASP-  44 - HN    ASP- 105  11.59 +/- 1.80   1.987% *  0.1886% (0.84   1.0   0.02   0.02) =   0.007%
          HB    THR   77 - HN    ASP- 105  18.66 +/- 2.64   0.718% *  0.1726% (0.76   1.0   0.02   0.02) =   0.002%
          HA    SER   85 - HN    ASP- 105  18.26 +/- 2.89   0.675% *  0.1726% (0.76   1.0   0.02   0.02) =   0.002%
          HA    ASP-  86 - HN    ASP- 105  18.06 +/- 2.61   0.510% *  0.1808% (0.80   1.0   0.02   0.02) =   0.002%
          HA    THR   39 - HN    ASP- 105  16.01 +/- 5.12   1.081% *  0.0503% (0.22   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HN    ASP- 105  28.24 +/- 5.17   0.253% *  0.1886% (0.84   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    ASP- 105  24.79 +/- 4.34   0.279% *  0.1640% (0.73   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    ASP- 105  20.80 +/- 4.14   0.634% *  0.0628% (0.28   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HN    ASP- 105  30.67 +/- 4.92   0.144% *  0.1959% (0.87   1.0   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    ASP- 105  23.98 +/- 3.19   0.261% *  0.0348% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 547 (7.14, 9.57, 125.50 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.25, residual support = 5.55:
          QD    PHE   97 - HN    VAL  107   4.53 +/- 0.68  89.247% * 99.0099% (0.87   2.25   5.55) =  99.939%  kept
          HZ3   TRP   87 - HN    VAL  107  12.74 +/- 2.60   5.548% *  0.8124% (0.80   0.02   0.02) =   0.051%
          HE3   TRP   49 - HN    VAL  107  18.74 +/- 3.84   5.204% *  0.1777% (0.18   0.02   0.02) =   0.010%
    Distance limit 4.51 A violated in 0 structures by 0.30 A, kept.
 
    Peak 548 (5.62, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.58, residual support = 26.7:
      O   HA    LYS+ 106 - HN    VAL  107   2.25 +/- 0.12 100.000% *100.0000% (0.98  10.0   4.58  26.74) = 100.000%  kept
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 549 (4.49, 9.57, 125.50 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.65, residual support = 60.2:
      O   HA    VAL  107 - HN    VAL  107   2.93 +/- 0.01  93.499% * 99.7406% (0.95  10.0   3.65  60.19) =  99.997%  kept
          HA    ALA   91 - HN    VAL  107  13.05 +/- 1.44   1.207% *  0.1052% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    VAL  107   9.25 +/- 1.62   4.090% *  0.0185% (0.18   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    VAL  107  18.20 +/- 1.92   0.440% *  0.0997% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  107  16.97 +/- 3.13   0.765% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 550 (7.14, 7.80, 116.22 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.83, residual support = 60.5:
          QD    PHE   97 - HN    ASP- 105   3.58 +/- 0.60  92.829% * 99.6160% (0.87   5.84  60.54) =  99.978%  kept
          HZ3   TRP   87 - HN    ASP- 105  12.26 +/- 4.06   6.113% *  0.3151% (0.80   0.02   0.02) =   0.021%
          HE3   TRP   49 - HN    ASP- 105  23.94 +/- 4.33   1.058% *  0.0689% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 551 (4.93, 8.60, 114.88 ppm):
    3 chemical-shift based assignments, quality = 0.314, support = 0.02, residual support = 0.02:
          HA    THR   94 - HN    GLY  109   5.46 +/- 1.53  80.939% * 19.2756% (0.26   0.02   0.02) =  72.766%  kept
          HA    MET   92 - HN    GLY  109   9.74 +/- 2.13  15.701% * 25.3346% (0.34   0.02   0.02) =  18.553%  kept
          HA    LYS+  74 - HN    GLY  109  17.38 +/- 2.79   3.360% * 55.3898% (0.74   0.02   0.02) =   8.681%  kept
    Distance limit 4.45 A violated in 6 structures by 1.17 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 552 (4.58, 8.60, 114.88 ppm):
    7 chemical-shift based assignments, quality = 0.545, support = 2.18, residual support = 8.43:
      O   HA1   GLY  109 - HN    GLY  109   2.66 +/- 0.17  36.005% * 65.2922% (0.73  10.0   1.76   9.32) =  52.912%  kept
      O   HA    VAL  108 - HN    GLY  109   2.22 +/- 0.04  60.732% * 34.4433% (0.34  10.0   2.66   7.43) =  47.083%  kept
          HA    CYS   50 - HN    GLY  109  13.86 +/- 4.46   1.753% *  0.0753% (0.74   1.0   0.02   0.02) =   0.003%
          HA    TRP   49 - HN    GLY  109  16.87 +/- 4.37   0.671% *  0.0666% (0.65   1.0   0.02   0.02) =   0.001%
          HA    ALA   47 - HN    GLY  109  12.82 +/- 3.28   0.684% *  0.0435% (0.43   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    GLY  109  23.30 +/- 2.18   0.059% *  0.0528% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY  109  19.16 +/- 0.78   0.095% *  0.0262% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 553 (7.59, 8.75, 122.21 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 3.02, residual support = 9.05:
          HN    LYS+ 111 - HN    ALA  110   3.09 +/- 0.85  91.729% * 86.4692% (0.90   3.04   9.11) =  99.259%  kept
          HN    ILE   56 - HN    ALA  110  11.44 +/- 3.93   4.911% * 11.7610% (0.98   0.38   1.08) =   0.723%  kept
          HN    LEU   63 - HN    ALA  110  15.64 +/- 2.10   1.361% *  0.5855% (0.92   0.02   0.02) =   0.010%
          HN    ALA   84 - HN    ALA  110  17.62 +/- 3.05   0.834% *  0.5688% (0.90   0.02   0.02) =   0.006%
          HZ2   TRP   87 - HN    ALA  110  18.85 +/- 2.84   0.663% *  0.1111% (0.18   0.02   0.02) =   0.001%
          HD21  ASN   28 - HN    ALA  110  23.00 +/- 2.82   0.334% *  0.1958% (0.31   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ALA  110  30.85 +/- 4.19   0.168% *  0.3087% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 554 (4.57, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.691, support = 2.03, residual support = 6.15:
      O   HA1   GLY  109 - HN    ALA  110   3.36 +/- 0.44  56.699% * 93.8843% (0.69  10.0   2.07   6.40) =  96.088%  kept
          HA    VAL  108 - HN    ALA  110   4.44 +/- 1.05  37.424% *  5.7753% (0.80   1.0   1.06   0.02) =   3.901%  kept
          HA    CYS   50 - HN    ALA  110  13.37 +/- 3.76   3.015% *  0.0992% (0.73   1.0   0.02   0.02) =   0.005%
          HA    ALA   47 - HN    ALA  110  13.22 +/- 2.88   1.641% *  0.1226% (0.90   1.0   0.02   0.02) =   0.004%
          HA    TRP   49 - HN    ALA  110  16.61 +/- 3.78   1.037% *  0.0719% (0.53   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    ALA  110  24.12 +/- 2.45   0.184% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 555 (4.49, 8.75, 122.21 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 2.73, residual support = 9.57:
      O   HA    ALA  110 - HN    ALA  110   2.47 +/- 0.29  87.277% * 98.1886% (0.18  10.0   2.74   9.58) =  99.932%  kept
          HA    VAL  107 - HN    ALA  110   6.56 +/- 1.23   7.494% *  0.5304% (0.95   1.0   0.02   0.02) =   0.046%
          HA    ALA   91 - HN    ALA  110  10.96 +/- 2.71   2.113% *  0.5594% (1.00   1.0   0.02   0.02) =   0.014%
          HA    PRO   52 - HN    ALA  110  12.69 +/- 4.59   2.997% *  0.1912% (0.34   1.0   0.02   0.02) =   0.007%
          HA    TRP   27 - HN    ALA  110  23.31 +/- 2.13   0.119% *  0.5304% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 556 (8.49, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 5.34, residual support = 28.7:
        T HN    LYS+ 112 - HN    LYS+ 111   4.31 +/- 0.21  93.097% * 99.8172% (0.99 10.00   5.34  28.75) =  99.998%  kept
          HN    THR   46 - HN    LYS+ 111  13.36 +/- 1.85   4.007% *  0.0199% (0.20  1.00   0.02   0.02) =   0.001%
          HN    LYS+  74 - HN    LYS+ 111  20.02 +/- 2.88   1.225% *  0.0570% (0.57  1.00   0.02   0.02) =   0.001%
          HN    ASP-  78 - HN    LYS+ 111  19.55 +/- 4.27   1.515% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    LYS+ 111  39.41 +/- 4.88   0.156% *  0.0903% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.20 A, kept.
 
    Peak 557 (8.75, 7.58, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.04, residual support = 9.11:
        T HN    ALA  110 - HN    LYS+ 111   3.09 +/- 0.85  97.104% * 99.9053% (1.00 10.00   3.04   9.11) =  99.997%  kept
          HN    PHE   45 - HN    LYS+ 111  11.72 +/- 2.19   2.896% *  0.0947% (0.95  1.00   0.02   0.02) =   0.003%
    Distance limit 4.36 A violated in 0 structures by 0.03 A, kept.
 
    Peak 558 (6.86, 7.58, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.781, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HN    LYS+ 111  11.56 +/- 1.73  40.770% * 58.2608% (1.00   0.02   0.02) =  66.081%  kept
          HE22  GLN  116 - HN    LYS+ 111  11.87 +/- 1.43  38.094% * 19.8732% (0.34   0.02   0.02) =  21.061%  kept
          HD2   HIS  122 - HN    LYS+ 111  14.74 +/- 1.60  21.137% * 21.8659% (0.38   0.02   0.02) =  12.858%  kept
    Distance limit 4.52 A violated in 20 structures by 5.36 A, eliminated.
    Peak unassigned.
 
    Peak 559 (4.48, 7.58, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 3.04, residual support = 9.11:
      O   HA    ALA  110 - HN    LYS+ 111   2.95 +/- 0.43  83.482% * 99.3312% (0.45  10.0   3.04   9.11) =  99.964%  kept
          HA    VAL  107 - HN    LYS+ 111   7.35 +/- 2.26  10.743% *  0.2138% (0.97   1.0   0.02   0.02) =   0.028%
          HA    ALA   91 - HN    LYS+ 111  12.40 +/- 2.89   2.400% *  0.1922% (0.87   1.0   0.02   0.02) =   0.006%
          HA    PHE   55 - HN    LYS+ 111  11.99 +/- 3.32   2.263% *  0.0438% (0.20   1.0   0.02   0.02) =   0.001%
          HA    GLN   90 - HN    LYS+ 111  14.99 +/- 2.19   0.937% *  0.0756% (0.34   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    LYS+ 111  24.26 +/- 2.38   0.175% *  0.1433% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.16 A, kept.
 
    Peak 560 (4.54, 8.49, 124.18 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 7.09, residual support = 28.7:
      O   HA    LYS+ 111 - HN    LYS+ 112   2.42 +/- 0.22  96.754% * 99.8075% (0.53  10.0   7.09  28.75) =  99.997%  kept
          HA    VAL  108 - HN    LYS+ 112   9.68 +/- 1.10   1.694% *  0.1074% (0.57   1.0   0.02   0.02) =   0.002%
          HA    ALA   47 - HN    LYS+ 112  14.79 +/- 3.64   1.552% *  0.0851% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 561 (8.17, 8.43, 117.70 ppm):
    5 chemical-shift based assignments, quality = 0.806, support = 5.07, residual support = 25.0:
        T HN    GLU- 114 - HN    ASP- 113   2.73 +/- 0.18  80.240% * 94.3636% (0.81 10.00   5.11  25.30) =  98.892%  kept
          HN    GLN  116 - HN    ASP- 113   4.84 +/- 0.34  15.457% *  5.4704% (0.76  1.00   1.22   1.87) =   1.104%  kept
          HN    THR  118 - HN    ASP- 113   8.35 +/- 0.51   2.984% *  0.0645% (0.55  1.00   0.02   0.02) =   0.003%
          HN    PHE   60 - HN    ASP- 113  12.37 +/- 1.75   1.096% *  0.0410% (0.35  1.00   0.02   0.02) =   0.001%
          HN    LEU   71 - HN    ASP- 113  22.69 +/- 3.70   0.222% *  0.0605% (0.52  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 562 (8.43, 8.16, 121.97 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 5.11, residual support = 25.3:
        T HN    ASP- 113 - HN    GLU- 114   2.73 +/- 0.18 100.000% *100.0000% (1.00 10.00   5.11  25.30) = 100.000%  kept
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 563 (4.15, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.956, support = 3.68, residual support = 42.5:
      O   HA    GLU- 114 - HN    GLU- 114   2.81 +/- 0.05  83.322% * 88.8362% (0.97  10.0   3.66  43.00) =  97.970%  kept
          HA    LEU  115 - HN    GLU- 114   5.10 +/- 0.15  14.113% * 10.8604% (0.53   1.0   4.48  20.73) =   2.029%  kept
          HA    CYS   53 - HN    GLU- 114  11.44 +/- 2.48   2.100% *  0.0284% (0.31   1.0   0.02   0.02) =   0.001%
          HA1   GLY  101 - HN    GLU- 114  25.29 +/- 2.01   0.122% *  0.0798% (0.87   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLU- 114  29.06 +/- 3.62   0.090% *  0.0871% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    GLU- 114  26.58 +/- 2.83   0.115% *  0.0632% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLU- 114  26.04 +/- 3.57   0.139% *  0.0448% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 564 (4.53, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 2.18, residual support = 3.61:
          HA    LYS+ 111 - HN    ASP- 113   4.03 +/- 0.48  82.759% * 99.1985% (0.74   2.18   3.61) =  99.937%  kept
          HA    PRO   52 - HN    ASP- 113  12.02 +/- 3.56   9.329% *  0.3571% (0.29   0.02   0.02) =   0.041%
          HA    VAL  108 - HN    ASP- 113  10.66 +/- 1.14   5.108% *  0.2610% (0.21   0.02   0.02) =   0.016%
          HA    ALA   47 - HN    ASP- 113  16.50 +/- 3.60   2.804% *  0.1833% (0.15   0.02   0.02) =   0.006%
    Distance limit 4.33 A violated in 0 structures by 0.09 A, kept.
 
    Peak 565 (4.37, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.851, support = 3.48, residual support = 14.4:
      O   HA    ASP- 113 - HN    ASP- 113   2.72 +/- 0.07  95.145% * 99.6702% (0.85  10.0   3.48  14.45) =  99.997%  kept
          HA    ILE   56 - HN    ASP- 113  10.16 +/- 2.17   2.766% *  0.0606% (0.52   1.0   0.02   0.02) =   0.002%
          HA    PHE   59 - HN    ASP- 113  12.18 +/- 1.18   1.181% *  0.0606% (0.52   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ASP- 113  16.73 +/- 1.24   0.436% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ASP- 113  23.78 +/- 2.10   0.155% *  0.0800% (0.68   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP- 113  29.52 +/- 3.12   0.085% *  0.0646% (0.55   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP- 113  21.92 +/- 3.05   0.233% *  0.0154% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 566 (8.18, 8.40, 122.87 ppm):
    6 chemical-shift based assignments, quality = 0.933, support = 8.01, residual support = 85.2:
        T HN    GLN  116 - HN    LEU  115   2.73 +/- 0.17  41.818% * 83.7516% (0.99 10.00   8.61  98.73) =  82.759%  kept
          HN    GLU- 114 - HN    LEU  115   2.56 +/- 0.17  50.200% * 14.2793% (0.65  1.00   5.22  20.73) =  16.938%  kept
          HN    THR  118 - HN    LEU  115   5.08 +/- 0.43   6.816% *  1.8680% (0.95  1.00   0.47   0.02) =   0.301%  kept
          HN    PHE   60 - HN    LEU  115   9.90 +/- 1.38   0.991% *  0.0646% (0.76  1.00   0.02   0.02) =   0.002%
          HN    LEU   71 - HN    LEU  115  19.81 +/- 2.70   0.130% *  0.0235% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    LEU  115  28.30 +/- 3.79   0.044% *  0.0130% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 567 (8.39, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 8.61, residual support = 98.7:
        T HN    LEU  115 - HN    GLN  116   2.73 +/- 0.17  99.038% * 99.8619% (0.98 10.00   8.61  98.73) =  99.999%  kept
          HN    PHE   97 - HN    GLN  116  14.25 +/- 2.62   0.889% *  0.0999% (0.98  1.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    GLN  116  34.12 +/- 4.52   0.073% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 568 (8.67, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.58, residual support = 28.1:
        T HN    SER  117 - HN    GLN  116   2.79 +/- 0.11  99.637% * 99.8966% (0.97 10.00   5.58  28.06) = 100.000%  kept
          HN    GLY   16 - HN    GLN  116  25.52 +/- 3.92   0.176% *  0.0829% (0.80  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN  116  24.52 +/- 3.21   0.187% *  0.0205% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 569 (8.18, 8.66, 115.11 ppm):
    6 chemical-shift based assignments, quality = 0.967, support = 4.14, residual support = 16.5:
        T HN    THR  118 - HN    SER  117   2.74 +/- 0.16  46.268% * 47.7903% (0.95 10.00   2.74   5.09) =  50.041%  kept
        T HN    GLN  116 - HN    SER  117   2.79 +/- 0.11  43.777% * 50.0734% (0.99 10.00   5.58  28.06) =  49.609%  kept
          HN    GLU- 114 - HN    SER  117   4.83 +/- 0.34   8.736% *  1.7283% (0.65  1.00   1.06   0.78) =   0.342%  kept
        T HN    PHE   60 - HN    SER  117  10.67 +/- 1.49   0.986% *  0.3861% (0.76 10.00   0.02   0.02) =   0.009%
          HN    LEU   71 - HN    SER  117  19.81 +/- 3.05   0.169% *  0.0140% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    SER  117  28.00 +/- 4.64   0.064% *  0.0078% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 570 (6.84, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.0, residual support = 111.5:
      O   HE22  GLN  116 - HE21  GLN  116   1.73 +/- 0.00  98.726% * 99.8133% (0.95  10.0   2.00 111.53) =  99.999%  kept
          HD2   HIS  122 - HE21  GLN  116   8.89 +/- 1.31   0.903% *  0.1018% (0.96   1.0   0.02   0.02) =   0.001%
          QD    PHE   45 - HE21  GLN  116  16.08 +/- 3.03   0.181% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN  116  24.82 +/- 5.67   0.190% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 571 (7.42, 6.83, 111.00 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 2.0, residual support = 111.5:
      O T HE21  GLN  116 - HE22  GLN  116   1.73 +/- 0.00  93.839% * 99.7477% (0.90  10.0 10.00   2.00 111.53) =  99.993%  kept
          HN    ALA  120 - HE22  GLN  116   6.05 +/- 1.78   4.558% *  0.1090% (0.98   1.0  1.00   0.02   0.17) =   0.005%
          HN    ALA   57 - HE22  GLN  116  10.22 +/- 2.41   1.116% *  0.0929% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HN    ALA  124 - HE22  GLN  116  11.47 +/- 2.15   0.428% *  0.0195% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN  116  24.99 +/- 4.63   0.058% *  0.0309% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 572 (4.37, 8.17, 116.99 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 1.17, residual support = 1.84:
          HA    ASP- 113 - HN    GLN  116   3.77 +/- 0.37  77.259% * 85.8393% (1.00   1.19   1.87) =  98.206%  kept
          HA    ILE   56 - HN    GLN  116   8.42 +/- 1.63  10.841% * 10.2679% (0.61   0.23   0.02) =   1.648%  kept
          HA    PHE   59 - HN    GLN  116   8.54 +/- 0.89   8.241% *  0.8760% (0.61   0.02   0.39) =   0.107%  kept
          HA    LEU  123 - HN    GLN  116  12.58 +/- 0.88   2.256% *  0.7030% (0.49   0.02   0.02) =   0.023%
          HA    LYS+  99 - HN    GLN  116  20.97 +/- 2.78   0.548% *  1.1565% (0.80   0.02   0.02) =   0.009%
          HA    ASN   35 - HN    GLN  116  26.49 +/- 3.22   0.306% *  0.9343% (0.65   0.02   0.02) =   0.004%
          HA    TRP   87 - HN    GLN  116  21.25 +/- 2.83   0.549% *  0.2228% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.36 A violated in 0 structures by 0.01 A, kept.
 
    Peak 573 (4.01, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.85, residual support = 111.5:
      O   HA    GLN  116 - HN    GLN  116   2.72 +/- 0.04  98.137% * 99.5202% (1.00  10.0   6.85 111.53) =  99.999%  kept
          HA    VAL   70 - HN    GLN  116  18.71 +/- 2.48   0.371% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLN  116  20.75 +/- 3.91   0.357% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN  116  18.51 +/- 2.97   0.467% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN  116  28.44 +/- 2.91   0.100% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN  116  28.00 +/- 3.62   0.119% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN  116  26.38 +/- 3.05   0.129% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN  116  25.63 +/- 2.99   0.144% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    GLN  116  24.57 +/- 4.37   0.176% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 574 (4.13, 8.40, 122.87 ppm):
    9 chemical-shift based assignments, quality = 0.914, support = 7.07, residual support = 174.9:
      O   HA    LEU  115 - HN    LEU  115   2.80 +/- 0.05  66.200% * 60.5049% (1.00  10.0   7.80 222.88) =  76.242%  kept
      O   HA    GLU- 114 - HN    LEU  115   3.58 +/- 0.05  31.817% * 39.2280% (0.65  10.0   4.74  20.73) =  23.757%  kept
          HA    ARG+  54 - HN    LEU  115  12.28 +/- 2.05   1.034% *  0.0392% (0.65   1.0   0.02   0.02) =   0.001%
          HA    ALA  124 - HN    LEU  115  17.44 +/- 0.98   0.284% *  0.0319% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU  115  24.33 +/- 3.41   0.142% *  0.0606% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU  115  24.74 +/- 2.65   0.115% *  0.0574% (0.95   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU  115  24.00 +/- 1.71   0.111% *  0.0486% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU  115  20.65 +/- 3.04   0.211% *  0.0106% (0.18   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU  115  27.18 +/- 3.46   0.087% *  0.0187% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 575 (4.22, 8.66, 115.11 ppm):
    4 chemical-shift based assignments, quality = 0.375, support = 3.63, residual support = 15.3:
      O   HA    SER  117 - HN    SER  117   2.73 +/- 0.05  98.424% * 99.4282% (0.38  10.0   3.63  15.35) =  99.996%  kept
          HA    ASP-  62 - HN    SER  117  13.98 +/- 1.93   1.223% *  0.2506% (0.95   1.0   0.02   0.02) =   0.003%
          HB    THR   26 - HN    SER  117  26.36 +/- 4.47   0.209% *  0.2025% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    SER  117  26.37 +/- 3.19   0.144% *  0.1188% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 576 (7.91, 7.43, 118.69 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.81, residual support = 52.4:
        T HN    ILE  119 - HN    ALA  120   2.67 +/- 0.15  98.915% * 99.2864% (0.83 10.00   5.81  52.40) =  99.996%  kept
        T HN    CYS   21 - HN    ALA  120  21.16 +/- 4.36   0.727% *  0.4963% (0.41 10.00   0.02   0.02) =   0.004%
          HN    ILE   89 - HN    ALA  120  22.29 +/- 2.61   0.196% *  0.1105% (0.92  1.00   0.02   0.02) =   0.000%
          HN    SER   37 - HN    ALA  120  25.40 +/- 4.06   0.161% *  0.1068% (0.89  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 577 (7.23, 7.51, 116.39 ppm):
    4 chemical-shift based assignments, quality = 0.802, support = 6.85, residual support = 54.9:
          HN    HIS  122 - HN    LYS+ 121   2.71 +/- 0.02  87.852% * 99.4635% (0.80   6.85  54.95) =  99.988%  kept
          QE    PHE   59 - HN    LYS+ 121   5.82 +/- 0.85  10.549% *  0.0724% (0.20   0.02   0.02) =   0.009%
          HN    PHE   59 - HN    LYS+ 121  11.05 +/- 1.01   1.416% *  0.1762% (0.49   0.02   0.02) =   0.003%
          HH2   TRP   87 - HN    LYS+ 121  23.23 +/- 3.64   0.184% *  0.2879% (0.79   0.02   0.02) =   0.001%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 578 (7.47, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.256, support = 5.41, residual support = 31.3:
          HN    LEU  123 - HN    HIS  122   2.10 +/- 0.07  95.761% * 89.9694% (0.26   5.42  31.42) =  99.636%  kept
          HN    ALA  124 - HN    HIS  122   6.51 +/- 0.09   3.218% *  9.7336% (0.09   1.71   0.02) =   0.362%  kept
          HZ2   TRP   49 - HN    HIS  122  20.41 +/- 5.76   0.679% *  0.1411% (0.11   0.02   0.02) =   0.001%
          HE21  GLN   17 - HN    HIS  122  21.14 +/- 5.31   0.342% *  0.1559% (0.12   0.02   0.02) =   0.001%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 579 (7.24, 7.46, 121.46 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.42, residual support = 31.4:
          HN    HIS  122 - HN    LEU  123   2.10 +/- 0.07  96.816% * 99.0629% (0.87   5.42  31.42) =  99.992%  kept
          QE    PHE   59 - HN    LEU  123   7.52 +/- 1.04   2.497% *  0.2217% (0.53   0.02   0.02) =   0.006%
          HN    PHE   59 - HN    LEU  123  11.91 +/- 1.31   0.616% *  0.3779% (0.90   0.02   0.02) =   0.002%
          HH2   TRP   87 - HN    LEU  123  25.38 +/- 3.84   0.072% *  0.3374% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 580 (4.38, 7.45, 128.80 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 4.15, residual support = 12.2:
      O   HA    LEU  123 - HN    ALA  124   2.27 +/- 0.03  98.143% * 99.5133% (1.00  10.0   4.15  12.23) =  99.999%  kept
          HA    ILE   56 - HN    ALA  124  17.00 +/- 2.60   0.330% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ALA  124  16.01 +/- 1.46   0.307% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA  124  23.62 +/- 7.06   0.168% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA  124  21.64 +/- 6.06   0.287% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ALA  124  16.28 +/- 2.46   0.367% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA  124  27.25 +/- 5.93   0.114% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA  124  25.56 +/- 6.65   0.161% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA  124  29.22 +/- 7.60   0.123% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 581 (4.11, 7.45, 128.80 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 1.81, residual support = 9.16:
      O   HA    ALA  124 - HN    ALA  124   2.79 +/- 0.20  98.084% * 99.5735% (1.00  10.0   1.81   9.16) =  99.999%  kept
          HA    ARG+  54 - HN    ALA  124  20.14 +/- 3.56   0.422% *  0.1063% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA  124  15.36 +/- 0.84   0.617% *  0.0494% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA  124  29.21 +/- 6.51   0.191% *  0.0757% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA  124  29.96 +/- 4.00   0.125% *  0.0882% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA  124  25.54 +/- 5.70   0.269% *  0.0340% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA  124  27.77 +/- 4.98   0.150% *  0.0536% (0.49   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA  124  27.86 +/- 6.11   0.142% *  0.0193% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 582 (4.88, 7.46, 121.46 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 31.4:
      O   HA    HIS  122 - HN    LEU  123   3.42 +/- 0.07  97.670% * 99.8702% (1.00  10.0   4.26  31.42) =  99.999%  kept
          HA    VAL   41 - HN    LEU  123  18.71 +/- 4.46   1.058% *  0.0800% (0.80   1.0   0.02   0.02) =   0.001%
          HA    PHE   45 - HN    LEU  123  19.64 +/- 2.88   0.693% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LEU  123  22.30 +/- 3.04   0.579% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 583 (4.38, 7.46, 121.46 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.93, residual support = 202.2:
      O   HA    LEU  123 - HN    LEU  123   2.88 +/- 0.05  93.904% * 99.5133% (1.00  10.0   5.93 202.21) =  99.996%  kept
          HA    ILE   56 - HN    LEU  123  13.95 +/- 2.19   1.148% *  0.0989% (0.99   1.0   0.02   0.02) =   0.001%
          HA    ASP- 113 - HN    LEU  123  12.88 +/- 1.11   1.169% *  0.0565% (0.57   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    LEU  123  20.39 +/- 6.67   0.577% *  0.0894% (0.90   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    LEU  123  18.76 +/- 5.80   1.042% *  0.0485% (0.49   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    LEU  123  13.57 +/- 2.13   1.423% *  0.0340% (0.34   1.0   0.02   0.02) =   0.001%
          HA    ASN   35 - HN    LEU  123  24.86 +/- 5.44   0.261% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU  123  23.94 +/- 5.25   0.293% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU  123  28.18 +/- 5.97   0.182% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 584 (6.81, 7.24, 114.00 ppm):
    5 chemical-shift based assignments, quality = 0.109, support = 6.84, residual support = 71.4:
          HD2   HIS  122 - HN    HIS  122   2.63 +/- 0.38  96.057% * 97.2789% (0.11   6.84  71.38) =  99.982%  kept
          HE22  GLN  116 - HN    HIS  122   9.06 +/- 1.87   3.188% *  0.3143% (0.12   0.02   0.02) =   0.011%
          HE22  GLN   17 - HN    HIS  122  21.63 +/- 5.16   0.536% *  0.9032% (0.35   0.02   0.02) =   0.005%
          HE22  GLN   32 - HN    HIS  122  29.49 +/- 4.61   0.110% *  0.7993% (0.31   0.02   0.02) =   0.001%
          HE22  GLN   90 - HN    HIS  122  27.61 +/- 3.15   0.109% *  0.7042% (0.27   0.02   0.02) =   0.001%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 585 (4.88, 7.24, 114.00 ppm):
    3 chemical-shift based assignments, quality = 0.295, support = 5.27, residual support = 71.4:
      O   HA    HIS  122 - HN    HIS  122   2.92 +/- 0.01  98.437% * 99.8131% (0.30  10.0   5.27  71.38) =  99.998%  kept
          HA    VAL   41 - HN    HIS  122  17.20 +/- 4.54   1.023% *  0.1192% (0.35   1.0   0.02   0.02) =   0.001%
          HA    PHE   45 - HN    HIS  122  18.07 +/- 2.76   0.541% *  0.0677% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 588 (3.95, 7.51, 116.39 ppm):
    12 chemical-shift based assignments, quality = 0.609, support = 5.26, residual support = 181.0:
      O   HA    LYS+ 121 - HN    LYS+ 121   2.76 +/- 0.01  62.004% * 38.4533% (0.49  10.0   6.45 313.10) =  57.400%  kept
      O   HA    ALA  120 - HN    LYS+ 121   3.56 +/- 0.03  28.918% * 61.1842% (0.77  10.0   3.65   2.95) =  42.595%  kept
          QB    SER  117 - HN    LYS+ 121   6.00 +/- 0.57   6.787% *  0.0176% (0.22   1.0   0.02   0.02) =   0.003%
          HA    LYS+  65 - HN    LYS+ 121  16.94 +/- 2.37   0.359% *  0.0569% (0.72   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+ 121  21.45 +/- 4.04   0.375% *  0.0508% (0.64   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+ 121  17.11 +/- 2.01   0.292% *  0.0435% (0.55   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LYS+ 121  22.86 +/- 5.48   0.184% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+ 121  19.09 +/- 3.94   0.531% *  0.0196% (0.25   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+ 121  20.89 +/- 3.65   0.255% *  0.0334% (0.42   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+ 121  24.86 +/- 2.63   0.095% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+ 121  25.68 +/- 4.34   0.102% *  0.0111% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+ 121  25.06 +/- 3.22   0.097% *  0.0098% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 589 (3.96, 7.43, 118.69 ppm):
    13 chemical-shift based assignments, quality = 0.734, support = 3.58, residual support = 13.4:
      O   HA    ALA  120 - HN    ALA  120   2.74 +/- 0.04  74.924% * 91.2638% (0.74  10.0   3.58  13.50) =  98.735%  kept
          HA    LYS+ 121 - HN    ALA  120   5.25 +/- 0.12  10.799% *  8.0772% (0.35   1.0   3.78   2.95) =   1.259%  kept
          QB    SER  117 - HN    ALA  120   5.15 +/- 0.15  11.426% *  0.0154% (0.12   1.0   0.02   5.26) =   0.003%
          HA    LYS+  65 - HN    ALA  120  16.63 +/- 2.08   0.422% *  0.1137% (0.92   1.0   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    ALA  120  17.92 +/- 3.43   0.489% *  0.0600% (0.49   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ALA  120  23.62 +/- 5.61   0.210% *  0.1137% (0.92   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA  120  20.84 +/- 3.75   0.345% *  0.0645% (0.52   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA  120  16.68 +/- 1.88   0.388% *  0.0511% (0.41   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    ALA  120  24.69 +/- 2.50   0.115% *  0.1137% (0.92   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA  120  19.61 +/- 3.16   0.288% *  0.0352% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA  120  21.78 +/- 4.15   0.374% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA  120  26.72 +/- 3.79   0.106% *  0.0389% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA  120  24.86 +/- 2.88   0.115% *  0.0352% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 592 (1.67, 7.45, 128.80 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 4.23, residual support = 12.2:
          HB2   LEU  123 - HN    ALA  124   4.10 +/- 0.14  83.548% * 96.2326% (0.76   4.23  12.23) =  99.917%  kept
          HB2   LYS+ 121 - HN    ALA  124   9.46 +/- 0.22   6.867% *  0.4323% (0.73   0.02   0.02) =   0.037%
          QD    LYS+  38 - HN    ALA  124  23.68 +/- 6.56   2.182% *  0.5632% (0.95   0.02   0.02) =   0.015%
          QD    LYS+  65 - HN    ALA  124  16.69 +/- 3.38   1.962% *  0.4550% (0.76   0.02   0.02) =   0.011%
          HG3   PRO   93 - HN    ALA  124  22.79 +/- 4.15   1.084% *  0.4768% (0.80   0.02   0.02) =   0.006%
          QD    LYS+ 102 - HN    ALA  124  25.17 +/- 5.17   0.499% *  0.5632% (0.95   0.02   0.02) =   0.003%
          HB3   MET   92 - HN    ALA  124  24.74 +/- 4.33   1.123% *  0.2235% (0.38   0.02   0.02) =   0.003%
          HD2   LYS+ 111 - HN    ALA  124  22.01 +/- 1.75   0.583% *  0.2898% (0.49   0.02   0.02) =   0.002%
          HB    VAL   83 - HN    ALA  124  30.00 +/- 3.75   0.277% *  0.4973% (0.84   0.02   0.02) =   0.002%
          HB2   LEU   73 - HN    ALA  124  22.94 +/- 4.54   0.892% *  0.1485% (0.25   0.02   0.02) =   0.002%
          HD2   LYS+  74 - HN    ALA  124  21.51 +/- 4.21   0.984% *  0.1178% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.14 A violated in 0 structures by 0.04 A, kept.
 
    Peak 593 (1.36, 7.45, 128.80 ppm):
    16 chemical-shift based assignments, quality = 0.647, support = 1.81, residual support = 9.16:
      O   QB    ALA  124 - HN    ALA  124   2.29 +/- 0.28  96.887% * 98.5530% (0.65  10.0   1.81   9.16) =  99.997%  kept
          HB2   LEU   63 - HN    ALA  124  15.52 +/- 3.15   0.638% *  0.0631% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA  124  18.08 +/- 1.55   0.228% *  0.1285% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA  124  21.37 +/- 3.57   0.190% *  0.1508% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA  124  18.59 +/- 3.35   0.284% *  0.0952% (0.57   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA  124  19.46 +/- 4.34   0.269% *  0.0952% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA  124  22.38 +/- 4.64   0.156% *  0.1459% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA  124  22.90 +/- 4.02   0.159% *  0.1088% (0.65   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA  124  24.52 +/- 5.32   0.126% *  0.1285% (0.76   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA  124  24.37 +/- 2.98   0.105% *  0.1459% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA  124  25.56 +/- 7.61   0.459% *  0.0295% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA  124  20.63 +/- 3.05   0.164% *  0.0819% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA  124  28.31 +/- 6.42   0.089% *  0.1155% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA  124  26.97 +/- 5.60   0.102% *  0.0819% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA  124  29.37 +/- 4.13   0.063% *  0.0468% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA  124  27.37 +/- 4.79   0.082% *  0.0295% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 594 (3.95, 7.46, 121.46 ppm):
    10 chemical-shift based assignments, quality = 0.977, support = 5.72, residual support = 27.0:
          HA    ALA  120 - HN    LEU  123   2.65 +/- 0.08  74.255% * 73.7220% (0.99   6.04  29.45) =  91.128%  kept
          HA    LYS+ 121 - HN    LEU  123   4.04 +/- 0.14  21.355% * 24.9273% (0.84   2.42   2.32) =   8.862%  kept
          QB    SER  117 - HN    LEU  123   8.86 +/- 0.40   2.039% *  0.1199% (0.49   0.02   0.02) =   0.004%
          QB    SER   48 - HN    LEU  123  22.74 +/- 4.49   0.348% *  0.2378% (0.97   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    LEU  123  16.71 +/- 2.85   0.398% *  0.1692% (0.69   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    LEU  123  21.89 +/- 4.21   0.308% *  0.1883% (0.76   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    LEU  123  22.65 +/- 6.48   0.297% *  0.1883% (0.76   0.02   0.02) =   0.001%
          HB    THR   94 - HN    LEU  123  19.63 +/- 2.11   0.207% *  0.2209% (0.90   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    LEU  123  20.44 +/- 4.46   0.713% *  0.0380% (0.15   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LEU  123  26.89 +/- 2.69   0.080% *  0.1883% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 595 (2.76, 7.46, 121.46 ppm):
    5 chemical-shift based assignments, quality = 0.976, support = 4.51, residual support = 29.5:
          HB3   HIS  122 - HN    LEU  123   3.70 +/- 0.53  74.339% * 82.0060% (0.99   4.73  31.42) =  93.376%  kept
          QE    LYS+ 121 - HN    LEU  123   6.04 +/- 0.88  24.455% * 17.6793% (0.76   1.32   2.32) =   6.622%  kept
          HB3   ASP-  78 - HN    LEU  123  25.48 +/- 4.51   0.382% *  0.1702% (0.49   0.02   0.02) =   0.001%
          HG2   GLN   30 - HN    LEU  123  23.84 +/- 4.73   0.514% *  0.0972% (0.28   0.02   0.02) =   0.001%
          HB3   ASN   28 - HN    LEU  123  26.96 +/- 5.00   0.310% *  0.0473% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (1.85, 7.46, 121.46 ppm):
    14 chemical-shift based assignments, quality = 0.764, support = 5.5, residual support = 202.1:
          HG    LEU  123 - HN    LEU  123   3.39 +/- 0.38  77.143% * 96.6283% (0.76   5.51 202.21) =  99.930%  kept
          HG3   PRO   68 - HN    LEU  123  16.29 +/- 7.04   4.726% *  0.3984% (0.87   0.02   0.02) =   0.025%
          HB3   ASP- 105 - HN    LEU  123  14.97 +/- 7.41   2.639% *  0.3510% (0.76   0.02   0.02) =   0.012%
          QB    LYS+  66 - HN    LEU  123  12.38 +/- 4.06   7.412% *  0.0909% (0.20   0.02   0.02) =   0.009%
          HB3   PRO   52 - HN    LEU  123  19.54 +/- 4.03   1.114% *  0.3510% (0.76   0.02   0.02) =   0.005%
          HG2   ARG+  54 - HN    LEU  123  19.17 +/- 3.46   0.817% *  0.3678% (0.80   0.02   0.02) =   0.004%
          QB    LYS+ 106 - HN    LEU  123  16.55 +/- 4.34   1.050% *  0.2059% (0.45   0.02   0.02) =   0.003%
          HB    ILE  103 - HN    LEU  123  21.12 +/- 5.60   0.496% *  0.3836% (0.84   0.02   0.02) =   0.003%
          HB    ILE   56 - HN    LEU  123  13.77 +/- 2.68   2.402% *  0.0622% (0.14   0.02   0.02) =   0.002%
          HB    VAL   41 - HN    LEU  123  19.50 +/- 4.41   0.764% *  0.1567% (0.34   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    LEU  123  23.16 +/- 4.06   0.398% *  0.2971% (0.65   0.02   0.02) =   0.002%
          HG12  ILE  103 - HN    LEU  123  20.75 +/- 5.24   0.508% *  0.2236% (0.49   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    LEU  123  25.22 +/- 3.20   0.311% *  0.2236% (0.49   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    LEU  123  26.08 +/- 3.09   0.221% *  0.2600% (0.57   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.07 A, kept.
 
    Peak 597 (1.67, 7.46, 121.46 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 5.9, residual support = 199.1:
      O   HB2   LEU  123 - HN    LEU  123   2.43 +/- 0.31  86.247% * 87.9431% (0.76  10.0   5.95 202.21) =  98.429%  kept
          HB2   LYS+ 121 - HN    LEU  123   5.11 +/- 0.13  10.586% * 11.4123% (0.73   1.0   2.73   2.32) =   1.568%  kept
          QD    LYS+  65 - HN    LEU  123  15.06 +/- 2.72   0.706% *  0.0879% (0.76   1.0   0.02   0.02) =   0.001%
          QD    LYS+  38 - HN    LEU  123  21.80 +/- 5.97   0.359% *  0.1089% (0.95   1.0   0.02   0.02) =   0.001%
          HG3   PRO   93 - HN    LEU  123  19.20 +/- 3.72   0.375% *  0.0921% (0.80   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU  123  22.12 +/- 4.94   0.218% *  0.1089% (0.95   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU  123  18.42 +/- 1.36   0.240% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU  123  21.17 +/- 3.68   0.304% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LEU  123  18.67 +/- 3.98   0.488% *  0.0228% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    LEU  123  19.99 +/- 4.30   0.385% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LEU  123  26.64 +/- 3.04   0.093% *  0.0961% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.02 A, kept.
 
    Peak 598 (0.85, 7.46, 121.46 ppm):
    7 chemical-shift based assignments, quality = 0.874, support = 6.34, residual support = 202.2:
          QD1   LEU  123 - HN    LEU  123   2.20 +/- 0.19  80.434% * 84.7724% (0.90   6.35 202.21) =  96.901%  kept
          QD2   LEU  123 - HN    LEU  123   4.03 +/- 0.43  15.251% * 14.2459% (0.15   6.20 202.21) =   3.088%  kept
          QG1   VAL   70 - HN    LEU  123  12.98 +/- 4.62   1.823% *  0.2047% (0.69   0.02   0.02) =   0.005%
          HB3   LEU  104 - HN    LEU  123  17.03 +/- 8.14   0.841% *  0.2953% (0.99   0.02   0.02) =   0.004%
          QD1   LEU   71 - HN    LEU  123  16.84 +/- 3.55   0.299% *  0.2672% (0.90   0.02   0.02) =   0.001%
          QG1   VAL   18 - HN    LEU  123  16.24 +/- 3.90   0.320% *  0.1687% (0.57   0.02   0.02) =   0.001%
          HB3   LEU   63 - HN    LEU  123  12.37 +/- 3.45   1.031% *  0.0460% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 601 (3.96, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.245, support = 6.76, residual support = 37.2:
      O   HA    LYS+ 121 - HN    HIS  122   3.50 +/- 0.02  46.284% * 65.6176% (0.20  10.0   7.07  54.95) =  66.403%  kept
          HA    ALA  120 - HN    HIS  122   3.52 +/- 0.11  45.556% * 33.7201% (0.33   1.0   6.15   2.03) =  33.588%  kept
          QB    SER  117 - HN    HIS  122   8.16 +/- 0.43   3.770% *  0.0289% (0.09   1.0   0.02   0.02) =   0.002%
          HA    LYS+  65 - HN    HIS  122  15.80 +/- 2.61   0.678% *  0.1070% (0.33   1.0   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    HIS  122  19.35 +/- 4.31   1.485% *  0.0395% (0.12   1.0   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    HIS  122  21.80 +/- 5.81   0.410% *  0.1119% (0.34   1.0   0.02   0.02) =   0.001%
          QB    SER   48 - HN    HIS  122  21.61 +/- 4.16   0.480% *  0.0886% (0.27   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    HIS  122  20.91 +/- 4.09   0.523% *  0.0564% (0.17   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    HIS  122  18.05 +/- 2.22   0.379% *  0.0750% (0.23   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    HIS  122  25.53 +/- 2.63   0.131% *  0.1119% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    HIS  122  25.19 +/- 4.75   0.172% *  0.0229% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    HIS  122  26.06 +/- 3.36   0.131% *  0.0203% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 602 (3.70, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.263, support = 6.41, residual support = 17.0:
          HA    ILE  119 - HN    HIS  122   3.54 +/- 0.19  74.617% * 63.8078% (0.27   6.67  19.12) =  86.806%  kept
          HA    THR  118 - HN    HIS  122   5.64 +/- 0.30  20.301% * 35.6201% (0.21   4.69   3.09) =  13.184%  kept
          HB2   TRP   49 - HN    HIS  122  23.17 +/- 5.46   1.118% *  0.1719% (0.24   0.02   0.02) =   0.004%
          HD3   PRO   58 - HN    HIS  122  12.75 +/- 2.30   2.284% *  0.0696% (0.10   0.02   0.02) =   0.003%
          HA    VAL   75 - HN    HIS  122  18.93 +/- 2.92   0.685% *  0.1316% (0.19   0.02   0.02) =   0.002%
          HA2   GLY  109 - HN    HIS  122  18.19 +/- 2.91   0.697% *  0.0772% (0.11   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    HIS  122  23.49 +/- 2.69   0.298% *  0.1218% (0.17   0.02   0.02) =   0.001%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 603 (3.47, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.109, support = 5.38, residual support = 71.4:
      O   HB2   HIS  122 - HN    HIS  122   3.50 +/- 0.39  87.865% * 99.5910% (0.11  10.0   5.38  71.38) =  99.987%  kept
          HA    LEU   63 - HN    HIS  122  10.99 +/- 3.24   8.385% *  0.0565% (0.06   1.0   0.02   0.02) =   0.005%
          HB2   HIS   22 - HN    HIS  122  22.80 +/- 6.76   2.039% *  0.1698% (0.19   1.0   0.02   0.02) =   0.004%
          HA    LYS+ 112 - HN    HIS  122  13.35 +/- 0.75   1.712% *  0.1827% (0.20   1.0   0.02   0.02) =   0.004%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 604 (2.76, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.319, support = 6.59, residual support = 70.3:
      O   HB3   HIS  122 - HN    HIS  122   2.79 +/- 0.42  73.739% * 82.6034% (0.33  10.0   6.60  71.38) =  93.149%  kept
          QE    LYS+ 121 - HN    HIS  122   4.89 +/- 0.87  25.861% * 17.3230% (0.21   1.0   6.38  54.95) =   6.851%  kept
          HB3   ASP-  78 - HN    HIS  122  24.13 +/- 4.01   0.162% *  0.0579% (0.23   1.0   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    HIS  122  22.54 +/- 4.48   0.238% *  0.0157% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 605 (1.66, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.309, support = 7.39, residual support = 51.3:
          HB2   LYS+ 121 - HN    HIS  122   3.38 +/- 0.21  59.876% * 73.2340% (0.33   7.78  54.95) =  84.378%  kept
          HB2   LEU  123 - HN    HIS  122   4.25 +/- 0.33  31.561% * 25.6983% (0.17   5.31  31.42) =  15.607%  kept
          QD    LYS+  65 - HN    HIS  122  14.35 +/- 2.46   1.175% *  0.1921% (0.34   0.02   0.02) =   0.004%
          QD    LYS+  38 - HN    HIS  122  20.92 +/- 5.83   0.856% *  0.1973% (0.35   0.02   0.02) =   0.003%
          QB    ALA   57 - HN    HIS  122  12.09 +/- 2.31   2.779% *  0.0349% (0.06   0.02   0.02) =   0.002%
          HD2   LYS+  74 - HN    HIS  122  17.31 +/- 3.88   0.973% *  0.0818% (0.15   0.02   0.02) =   0.002%
          HG3   PRO   93 - HN    HIS  122  17.99 +/- 3.46   0.734% *  0.1047% (0.19   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    HIS  122  20.86 +/- 5.04   0.427% *  0.1445% (0.26   0.02   0.02) =   0.001%
          HB    VAL   83 - HN    HIS  122  25.09 +/- 2.79   0.176% *  0.1973% (0.35   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    HIS  122  17.54 +/- 1.22   0.462% *  0.0496% (0.09   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    HIS  122  19.86 +/- 3.32   0.553% *  0.0349% (0.06   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    HIS  122  18.22 +/- 1.45   0.428% *  0.0307% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 606 (1.52, 7.24, 114.00 ppm):
    9 chemical-shift based assignments, quality = 0.281, support = 6.66, residual support = 54.9:
          HB3   LYS+ 121 - HN    HIS  122   4.06 +/- 0.37  44.738% * 67.0458% (0.35   6.38  54.95) =  67.697%  kept
          HD2   LYS+ 121 - HN    HIS  122   4.18 +/- 0.62  44.686% * 31.9891% (0.15   7.25  54.95) =  32.263%  kept
          QD    LYS+  66 - HN    HIS  122  13.12 +/- 4.43   4.506% *  0.1718% (0.28   0.02   0.02) =   0.017%
          HG    LEU  104 - HN    HIS  122  16.78 +/- 7.67   2.211% *  0.2103% (0.35   0.02   0.02) =   0.010%
          HD3   LYS+  74 - HN    HIS  122  17.39 +/- 4.38   1.312% *  0.1924% (0.32   0.02   0.02) =   0.006%
          HB3   LYS+ 111 - HN    HIS  122  15.88 +/- 1.34   0.733% *  0.1981% (0.33   0.02   0.02) =   0.003%
          HG2   LYS+  65 - HN    HIS  122  15.83 +/- 2.30   0.882% *  0.0732% (0.12   0.02   0.02) =   0.001%
          QG2   THR   26 - HN    HIS  122  19.99 +/- 4.08   0.657% *  0.0597% (0.10   0.02   0.02) =   0.001%
          HG2   LYS+  33 - HN    HIS  122  23.70 +/- 4.49   0.276% *  0.0597% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.03 A, kept.
 
    Peak 607 (0.86, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.306, support = 6.36, residual support = 31.4:
          QD1   LEU  123 - HN    HIS  122   2.81 +/- 0.18  85.612% * 98.4988% (0.31   6.36  31.42) =  99.951%  kept
          QG1   VAL   70 - HN    HIS  122  12.04 +/- 4.63   6.562% *  0.3539% (0.35   0.02   0.02) =   0.028%
          HB3   LEU   63 - HN    HIS  122  11.11 +/- 3.49   2.984% *  0.2310% (0.23   0.02   0.02) =   0.008%
          HB3   LEU  104 - HN    HIS  122  15.60 +/- 8.30   2.632% *  0.1878% (0.19   0.02   0.02) =   0.006%
          QG1   VAL   18 - HN    HIS  122  15.16 +/- 3.76   0.901% *  0.3562% (0.35   0.02   0.02) =   0.004%
          QD1   LEU   71 - HN    HIS  122  16.00 +/- 3.33   0.748% *  0.3097% (0.31   0.02   0.02) =   0.003%
          QG1   VAL  108 - HN    HIS  122  16.17 +/- 2.60   0.561% *  0.0625% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 608 (3.70, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.559, support = 3.55, residual support = 7.2:
          HA    ILE  119 - HN    LYS+ 121   3.84 +/- 0.14  40.620% * 64.9566% (0.61   4.14   8.33) =  57.999%  kept
          HA    THR  118 - HN    LYS+ 121   3.43 +/- 0.22  56.007% * 34.1056% (0.49   2.74   5.64) =  41.988%  kept
          HB2   TRP   49 - HN    LYS+ 121  22.97 +/- 5.06   0.551% *  0.2817% (0.55   0.02   0.02) =   0.003%
          HA    VAL   75 - HN    LYS+ 121  19.19 +/- 3.20   0.678% *  0.2158% (0.42   0.02   0.02) =   0.003%
          HD3   PRO   58 - HN    LYS+ 121  13.06 +/- 1.68   1.233% *  0.1140% (0.22   0.02   0.02) =   0.003%
          HA2   GLY  109 - HN    LYS+ 121  16.40 +/- 3.02   0.693% *  0.1266% (0.25   0.02   0.02) =   0.002%
          HA    ALA   84 - HN    LYS+ 121  22.87 +/- 2.56   0.217% *  0.1997% (0.39   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 609 (1.66, 7.51, 116.39 ppm):
    12 chemical-shift based assignments, quality = 0.756, support = 6.93, residual support = 311.0:
      O   HB2   LYS+ 121 - HN    LYS+ 121   2.33 +/- 0.27  85.724% * 93.7163% (0.76  10.0   6.96 313.10) =  99.329%  kept
          HB2   LEU  123 - HN    LYS+ 121   5.14 +/- 0.62   9.399% *  5.7522% (0.39   1.0   2.39   2.32) =   0.668%  kept
          QD    LYS+  65 - HN    LYS+ 121  15.33 +/- 2.46   0.683% *  0.0956% (0.77   1.0   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HN    LYS+ 121  17.85 +/- 4.41   1.266% *  0.0407% (0.33   1.0   0.02   0.02) =   0.001%
          QD    LYS+  38 - HN    LYS+ 121  21.43 +/- 5.32   0.287% *  0.0982% (0.79   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+ 121  16.94 +/- 3.22   0.438% *  0.0521% (0.42   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+ 121  20.05 +/- 4.81   0.234% *  0.0719% (0.58   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    LYS+ 121  12.31 +/- 1.87   0.876% *  0.0174% (0.14   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LYS+ 121  24.76 +/- 2.80   0.104% *  0.0982% (0.79   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+ 121  15.61 +/- 1.26   0.368% *  0.0247% (0.20   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    LYS+ 121  16.27 +/- 1.54   0.339% *  0.0153% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+ 121  18.89 +/- 3.01   0.282% *  0.0174% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 610 (1.50, 7.51, 116.39 ppm):
    8 chemical-shift based assignments, quality = 0.518, support = 5.34, residual support = 221.6:
          HD2   LYS+ 121 - HN    LYS+ 121   3.92 +/- 0.71  30.497% * 82.1854% (0.64   6.10 313.10) =  70.491%  kept
          QB    ALA  120 - HN    LYS+ 121   2.82 +/- 0.10  63.599% * 16.4809% (0.22   3.52   2.95) =  29.479%  kept
          HB2   LYS+  74 - HN    LYS+ 121  18.03 +/- 4.26   1.055% *  0.3357% (0.80   0.02   0.02) =   0.010%
          QD    LYS+  66 - HN    LYS+ 121  14.39 +/- 4.26   1.406% *  0.1383% (0.33   0.02   0.02) =   0.005%
          HG    LEU  115 - HN    LYS+ 121   9.50 +/- 0.81   1.799% *  0.0935% (0.22   0.02   0.02) =   0.005%
          HB3   LEU   40 - HN    LYS+ 121  17.39 +/- 5.72   0.912% *  0.1637% (0.39   0.02   0.02) =   0.004%
          HG2   LYS+  65 - HN    LYS+ 121  16.94 +/- 2.23   0.427% *  0.2918% (0.70   0.02   0.02) =   0.004%
          QG2   THR   26 - HN    LYS+ 121  20.64 +/- 4.04   0.304% *  0.3105% (0.74   0.02   0.02) =   0.003%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 611 (1.15, 7.51, 116.39 ppm):
    6 chemical-shift based assignments, quality = 0.763, support = 5.8, residual support = 307.8:
          HG2   LYS+ 121 - HN    LYS+ 121   4.15 +/- 0.40  60.360% * 94.4705% (0.77   5.88 313.10) =  98.265%  kept
          HG13  ILE  119 - HN    LYS+ 121   6.09 +/- 0.28  20.285% *  4.7102% (0.16   1.43   8.33) =   1.646%  kept
          QG2   VAL  107 - HN    LYS+ 121  10.34 +/- 4.21   9.171% *  0.3301% (0.79   0.02   0.02) =   0.052%
          QB    ALA   20 - HN    LYS+ 121  17.13 +/- 4.71   8.513% *  0.2155% (0.52   0.02   0.02) =   0.032%
          HG13  ILE  103 - HN    LYS+ 121  18.19 +/- 5.00   1.134% *  0.2155% (0.52   0.02   0.02) =   0.004%
          HB3   LEU   31 - HN    LYS+ 121  22.57 +/- 4.12   0.537% *  0.0583% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 0 structures by 0.14 A, kept.
 
    Peak 612 (0.85, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.696, support = 2.14, residual support = 2.31:
          QD1   LEU  123 - HN    LYS+ 121   4.43 +/- 0.17  56.787% * 87.8864% (0.72   2.18   2.32) =  96.025%  kept
          QD2   LEU  123 - HN    LYS+ 121   6.27 +/- 0.48  21.127% *  9.1491% (0.12   1.32   2.32) =   3.719%  kept
          HB3   LEU  104 - HN    LYS+ 121  14.89 +/- 7.91   7.340% *  0.8916% (0.79   0.02   0.02) =   0.126%  kept
          QG1   VAL   70 - HN    LYS+ 121  12.88 +/- 4.05   6.330% *  0.6179% (0.55   0.02   0.02) =   0.075%
          QG1   VAL   18 - HN    LYS+ 121  15.85 +/- 3.88   2.209% *  0.5093% (0.45   0.02   0.02) =   0.022%
          QD1   LEU   71 - HN    LYS+ 121  16.89 +/- 2.98   1.299% *  0.8068% (0.72   0.02   0.02) =   0.020%
          HB3   LEU   63 - HN    LYS+ 121  11.98 +/- 3.10   4.908% *  0.1388% (0.12   0.02   0.02) =   0.013%
    Distance limit 4.23 A violated in 0 structures by 0.13 A, kept.
 
    Peak 613 (2.04, 7.43, 118.69 ppm):
    11 chemical-shift based assignments, quality = 0.905, support = 5.13, residual support = 52.4:
          HB    ILE  119 - HN    ALA  120   2.79 +/- 0.15  94.211% * 97.5242% (0.90   5.13  52.40) =  99.986%  kept
          HB2   PRO   93 - HN    ALA  120  14.77 +/- 3.17   1.327% *  0.1738% (0.41   0.02   0.02) =   0.003%
          HB    VAL  108 - HN    ALA  120  15.97 +/- 2.81   0.671% *  0.3238% (0.77   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HN    ALA  120  16.75 +/- 2.68   0.626% *  0.2963% (0.71   0.02   0.02) =   0.002%
          HB3   PRO   68 - HN    ALA  120  18.46 +/- 4.91   0.735% *  0.2352% (0.56   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - HN    ALA  120  12.78 +/- 1.45   1.115% *  0.1197% (0.28   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    ALA  120  23.06 +/- 3.30   0.215% *  0.3800% (0.90   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    ALA  120  24.44 +/- 5.00   0.207% *  0.3868% (0.92   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    ALA  120  23.67 +/- 3.68   0.204% *  0.3668% (0.87   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    ALA  120  21.83 +/- 5.18   0.446% *  0.0967% (0.23   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ALA  120  23.16 +/- 4.32   0.243% *  0.0967% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 614 (1.49, 7.43, 118.69 ppm):
    9 chemical-shift based assignments, quality = 0.486, support = 4.02, residual support = 13.4:
      O   QB    ALA  120 - HN    ALA  120   2.09 +/- 0.09  89.579% * 83.5442% (0.49  10.0   4.02  13.50) =  98.787%  kept
          HD2   LYS+ 121 - HN    ALA  120   6.20 +/- 0.93   5.777% * 15.8430% (0.49   1.0   3.79   2.95) =   1.208%  kept
          HG    LEU  115 - HN    ALA  120   7.98 +/- 1.17   2.120% *  0.0835% (0.49   1.0   0.02   0.02) =   0.002%
          HB2   LYS+  74 - HN    ALA  120  18.20 +/- 4.18   0.710% *  0.1466% (0.85   1.0   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    ALA  120  18.30 +/- 4.80   0.293% *  0.1214% (0.71   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA  120  14.03 +/- 4.20   0.783% *  0.0314% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA  120  16.46 +/- 2.07   0.244% *  0.0963% (0.56   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA  120  21.22 +/- 3.79   0.179% *  0.1091% (0.63   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  120  16.17 +/- 3.76   0.314% *  0.0245% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 615 (0.97, 7.43, 118.69 ppm):
    8 chemical-shift based assignments, quality = 0.485, support = 5.73, residual support = 52.3:
          QG2   ILE  119 - HN    ALA  120   3.43 +/- 0.41  82.755% * 96.6788% (0.49   5.74  52.40) =  99.889%  kept
          HG3   LYS+  74 - HN    ALA  120  17.96 +/- 4.63   6.544% *  0.6180% (0.89   0.02   0.02) =   0.050%
          QD2   LEU   40 - HN    ALA  120  14.12 +/- 3.79   2.987% *  0.4894% (0.71   0.02   0.02) =   0.018%
          QD1   LEU   67 - HN    ALA  120  13.51 +/- 3.27   2.552% *  0.5128% (0.74   0.02   0.02) =   0.016%
          QG2   ILE  103 - HN    ALA  120  14.43 +/- 3.74   1.507% *  0.5743% (0.83   0.02   0.02) =   0.011%
          QD2   LEU   71 - HN    ALA  120  16.67 +/- 2.77   1.106% *  0.5349% (0.77   0.02   0.02) =   0.007%
          QD1   ILE  103 - HN    ALA  120  16.97 +/- 3.16   0.823% *  0.4650% (0.67   0.02   0.02) =   0.005%
          HB    VAL   75 - HN    ALA  120  17.68 +/- 3.00   1.727% *  0.1267% (0.18   0.02   0.02) =   0.003%
    Distance limit 3.80 A violated in 0 structures by 0.02 A, kept.
 
    Peak 616 (3.96, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.251, support = 2.78, residual support = 15.3:
      O   QB    SER  117 - HN    SER  117   2.16 +/- 0.14  93.978% * 88.1413% (0.25  10.0   2.79  15.35) =  99.683%  kept
          HA    ALA  120 - HN    SER  117   7.51 +/- 0.56   2.636% *  9.7267% (0.95   1.0   0.58   5.26) =   0.309%  kept
          HA    LYS+ 121 - HN    SER  117   9.15 +/- 0.82   1.461% *  0.2001% (0.57   1.0   0.02   0.02) =   0.004%
          HA    LYS+  65 - HN    SER  117  17.89 +/- 2.38   0.374% *  0.3263% (0.92   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    SER  117  14.30 +/- 1.87   0.413% *  0.2287% (0.65   1.0   0.02   0.02) =   0.001%
          QB    SER   48 - HN    SER  117  19.27 +/- 3.14   0.216% *  0.2701% (0.76   1.0   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    SER  117  15.83 +/- 2.86   0.353% *  0.1206% (0.34   1.0   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    SER  117  25.52 +/- 5.16   0.108% *  0.3411% (0.97   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER  117  17.83 +/- 2.48   0.214% *  0.1721% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER  117  22.76 +/- 2.66   0.093% *  0.3411% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER  117  22.40 +/- 2.67   0.097% *  0.0619% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER  117  27.55 +/- 3.63   0.057% *  0.0700% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 617 (2.52, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.391, support = 5.17, residual support = 28.1:
          HG3   GLN  116 - HN    SER  117   4.69 +/- 0.89  42.845% * 68.9892% (0.49   5.05  28.06) =  66.785%  kept
          HG2   GLN  116 - HN    SER  117   4.47 +/- 1.09  48.949% * 30.0037% (0.20   5.41  28.06) =  33.183%  kept
          HB3   PHE   95 - HN    SER  117  10.57 +/- 2.91   7.024% *  0.1398% (0.25   0.02   0.02) =   0.022%
          HB3   TRP   87 - HN    SER  117  19.69 +/- 2.41   0.833% *  0.3175% (0.57   0.02   0.02) =   0.006%
          HG2   GLU-  25 - HN    SER  117  29.24 +/- 5.17   0.350% *  0.5497% (0.98   0.02   0.02) =   0.004%
    Distance limit 4.22 A violated in 0 structures by 0.20 A, kept.
 
    Peak 618 (2.36, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 4.89, residual support = 28.1:
          HB2   GLN  116 - HN    SER  117   3.39 +/- 0.31  94.060% * 98.7726% (0.97   4.89  28.06) =  99.979%  kept
          HB3   PHE   97 - HN    SER  117  14.31 +/- 3.87   2.120% *  0.4187% (1.00   0.02   0.02) =   0.010%
          HB2   PRO   58 - HN    SER  117  12.16 +/- 1.99   2.545% *  0.3040% (0.73   0.02   0.02) =   0.008%
          QG    GLU-  79 - HN    SER  117  21.44 +/- 3.85   0.953% *  0.1292% (0.31   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HN    SER  117  24.49 +/- 3.76   0.322% *  0.3755% (0.90   0.02   0.02) =   0.001%
    Distance limit 3.35 A violated in 0 structures by 0.16 A, kept.
 
    Peak 620 (2.53, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.727, support = 6.79, residual support = 110.9:
          HG2   GLN  116 - HN    GLN  116   3.38 +/- 0.49  92.543% * 92.6175% (0.73   6.83 111.53) =  99.405%  kept
          HB3   PHE   95 - HN    GLN  116   9.93 +/- 3.06   7.211% *  7.1114% (0.80   0.48   0.02) =   0.595%  kept
          HG2   GLU-  25 - HN    GLN  116  28.72 +/- 4.77   0.246% *  0.2711% (0.73   0.02   0.02) =   0.001%
    Distance limit 3.78 A violated in 0 structures by 0.04 A, kept.
 
    Peak 621 (2.37, 8.17, 116.99 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 7.43, residual support = 111.5:
      O   HB2   GLN  116 - HN    GLN  116   2.14 +/- 0.10  97.923% * 99.6757% (0.98  10.0   7.43 111.53) =  99.999%  kept
          HB2   PRO   58 - HN    GLN  116  10.59 +/- 1.71   1.313% *  0.0456% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   PHE   97 - HN    GLN  116  14.63 +/- 3.33   0.406% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN  116  20.39 +/- 3.59   0.196% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN  116  25.08 +/- 3.01   0.068% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    GLN  116  26.20 +/- 3.36   0.094% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 622 (1.99, 8.17, 116.99 ppm):
    11 chemical-shift based assignments, quality = 0.785, support = 7.15, residual support = 85.6:
          HB2   LEU  115 - HN    GLN  116   3.24 +/- 0.54  64.129% * 64.6744% (0.80   7.53  98.73) =  86.472%  kept
          QB    GLU- 114 - HN    GLN  116   5.24 +/- 0.30  18.771% * 34.4819% (0.69   4.68   1.53) =  13.495%  kept
          HG3   PRO   58 - HN    GLN  116  10.36 +/- 2.07   5.963% *  0.1791% (0.84   0.02   0.02) =   0.022%
          HB2   LYS+ 111 - HN    GLN  116   7.20 +/- 1.07   8.387% *  0.0331% (0.15   0.02   0.02) =   0.006%
          HG2   PRO   68 - HN    GLN  116  18.70 +/- 3.78   0.510% *  0.1791% (0.84   0.02   0.02) =   0.002%
          HB2   LEU   67 - HN    GLN  116  17.41 +/- 2.84   0.653% *  0.0882% (0.41   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    GLN  116  22.70 +/- 3.06   0.277% *  0.1639% (0.76   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    GLN  116  19.66 +/- 4.63   0.660% *  0.0424% (0.20   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    GLN  116  23.28 +/- 4.50   0.311% *  0.0424% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN  116  28.23 +/- 4.01   0.151% *  0.0731% (0.34   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLN  116  24.79 +/- 3.45   0.187% *  0.0424% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.09 A, kept.
 
    Peak 623 (1.46, 8.17, 116.99 ppm):
    10 chemical-shift based assignments, quality = 0.859, support = 8.12, residual support = 97.3:
          HB3   LEU  115 - HN    GLN  116   3.64 +/- 0.66  41.730% * 50.6343% (0.98   7.86  98.73) =  52.301%  kept
          HG    LEU  115 - HN    GLN  116   3.52 +/- 1.10  45.457% * 41.1304% (0.73   8.62  98.73) =  46.278%  kept
          QB    ALA  120 - HN    GLN  116   6.70 +/- 0.84   7.438% *  7.6678% (0.73   1.61   0.17) =   1.412%  kept
          QG    LYS+  66 - HN    GLN  116  14.02 +/- 3.84   2.286% *  0.0493% (0.38   0.02   0.02) =   0.003%
          HG    LEU   67 - HN    GLN  116  17.02 +/- 2.99   0.605% *  0.1314% (1.00   0.02   0.02) =   0.002%
          HG    LEU   40 - HN    GLN  116  18.04 +/- 2.89   0.544% *  0.1288% (0.98   0.02   0.02) =   0.002%
          HG    LEU   73 - HN    GLN  116  19.04 +/- 4.21   0.881% *  0.0744% (0.57   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    GLN  116  19.39 +/- 3.08   0.412% *  0.0640% (0.49   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    GLN  116  17.16 +/- 3.05   0.493% *  0.0293% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    GLN  116  24.11 +/- 1.87   0.154% *  0.0903% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.01 A, kept.
 
    Peak 624 (0.45, 8.17, 116.99 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 7.74, residual support = 98.7:
          QD1   LEU  115 - HN    GLN  116   4.00 +/- 0.83  93.073% * 99.6369% (0.49   7.74  98.73) =  99.973%  kept
          QG1   VAL   75 - HN    GLN  116  14.11 +/- 2.51   6.927% *  0.3631% (0.69   0.02   0.02) =   0.027%
    Distance limit 4.52 A violated in 0 structures by 0.09 A, kept.
 
    Peak 625 (0.58, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 0.57, support = 9.97, residual support = 97.4:
          QD2   LEU  115 - HN    GLN  116   2.93 +/- 0.69  73.307% * 93.4410% (0.57  10.10  98.73) =  98.616%  kept
          QD1   LEU   63 - HN    GLN  116   8.95 +/- 3.11  16.988% *  5.5283% (0.90   0.38   0.02) =   1.352%  kept
          QD2   LEU   63 - HN    GLN  116   9.77 +/- 2.94   5.950% *  0.2730% (0.84   0.02   0.02) =   0.023%
          QD1   LEU   73 - HN    GLN  116  16.44 +/- 3.89   1.149% *  0.2931% (0.90   0.02   0.02) =   0.005%
          QD1   LEU  104 - HN    GLN  116  15.00 +/- 3.31   0.844% *  0.1009% (0.31   0.02   0.02) =   0.001%
          QG2   VAL   41 - HN    GLN  116  16.50 +/- 1.98   0.662% *  0.0909% (0.28   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    GLN  116  19.96 +/- 3.56   0.276% *  0.1720% (0.53   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    GLN  116  16.65 +/- 1.73   0.517% *  0.0504% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    GLN  116  19.74 +/- 3.46   0.307% *  0.0504% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 626 (1.03, 8.17, 116.99 ppm):
    4 chemical-shift based assignments, quality = 0.714, support = 2.04, residual support = 14.8:
          QD1   ILE  119 - HN    GLN  116   4.56 +/- 0.70  56.617% * 92.3951% (0.73   2.11  15.31) =  96.346%  kept
          HG3   LYS+ 112 - HN    GLN  116   5.90 +/- 1.38  36.270% *  5.2359% (0.38   0.23   0.02) =   3.498%  kept
          QG2   VAL  108 - HN    GLN  116  10.51 +/- 1.45   5.394% *  1.2055% (1.00   0.02   0.02) =   0.120%  kept
          HB2   LEU  104 - HN    GLN  116  16.51 +/- 3.80   1.718% *  1.1634% (0.97   0.02   0.02) =   0.037%
    Distance limit 4.92 A violated in 0 structures by 0.01 A, kept.
 
    Peak 627 (3.45, 8.40, 122.87 ppm):
    3 chemical-shift based assignments, quality = 0.898, support = 0.998, residual support = 2.53:
          HA    LYS+ 112 - HN    LEU  115   3.25 +/- 0.39  91.564% * 67.5683% (0.90   1.00   2.55) =  99.179%  kept
          HB2   HIS  122 - HN    LEU  115  13.82 +/- 0.82   1.339% * 31.0849% (1.00   0.41   0.02) =   0.667%  kept
          HB    THR   46 - HN    LEU  115  13.06 +/- 3.33   7.097% *  1.3468% (0.90   0.02   0.02) =   0.153%  kept
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 628 (2.34, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.244, support = 4.93, residual support = 95.0:
          HB2   GLN  116 - HN    LEU  115   4.59 +/- 0.15  76.884% * 66.6446% (0.22   5.10  98.73) =  96.198%  kept
          HB2   PRO   58 - HN    LEU  115  11.85 +/- 1.85   6.219% * 31.3063% (0.80   0.67   0.02) =   3.655%  kept
          HG2   PRO   52 - HN    LEU  115  12.13 +/- 3.50  10.621% *  0.5265% (0.45   0.02   0.02) =   0.105%  kept
          HB3   PHE   97 - HN    LEU  115  13.96 +/- 2.95   3.915% *  0.4006% (0.34   0.02   0.02) =   0.029%
          HG3   GLU-  25 - HN    LEU  115  29.24 +/- 4.24   0.382% *  0.7597% (0.65   0.02   0.02) =   0.005%
          HB2   GLU-  79 - HN    LEU  115  21.03 +/- 3.71   1.413% *  0.1812% (0.15   0.02   0.02) =   0.005%
          HB2   GLU- 100 - HN    LEU  115  24.59 +/- 2.59   0.566% *  0.1812% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.35 A violated in 0 structures by 0.23 A, kept.
 
    Peak 629 (1.99, 8.40, 122.87 ppm):
    11 chemical-shift based assignments, quality = 0.792, support = 7.2, residual support = 206.7:
      O   HB2   LEU  115 - HN    LEU  115   2.26 +/- 0.28  62.307% * 80.6609% (0.80  10.0   7.35 222.88) =  91.975%  kept
          QB    GLU- 114 - HN    LEU  115   3.29 +/- 0.35  23.130% * 18.9427% (0.69   1.0   5.48  20.73) =   8.019%  kept
          HB2   LYS+ 111 - HN    LEU  115   5.17 +/- 1.53  12.575% *  0.0155% (0.15   1.0   0.02   0.02) =   0.004%
          HG3   PRO   58 - HN    LEU  115  11.52 +/- 2.16   1.219% *  0.0841% (0.84   1.0   0.02   0.02) =   0.002%
          HG2   PRO   68 - HN    LEU  115  19.59 +/- 3.86   0.146% *  0.0841% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    LEU  115  18.00 +/- 3.16   0.211% *  0.0414% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU  115  22.93 +/- 2.91   0.076% *  0.0770% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU  115  19.96 +/- 4.47   0.162% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU  115  23.79 +/- 4.32   0.081% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU  115  28.05 +/- 3.79   0.039% *  0.0344% (0.34   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU  115  25.17 +/- 3.27   0.055% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 630 (1.46, 8.40, 122.87 ppm):
    10 chemical-shift based assignments, quality = 0.947, support = 7.52, residual support = 222.9:
      O   HB3   LEU  115 - HN    LEU  115   2.92 +/- 0.44  59.627% * 78.1301% (0.98  10.0   7.54 222.88) =  86.827%  kept
          HG    LEU  115 - HN    LEU  115   3.95 +/- 0.59  32.905% * 21.4678% (0.73   1.0   7.42 222.88) =  13.166%  kept
          QB    ALA  120 - HN    LEU  115   8.28 +/- 0.64   2.916% *  0.0579% (0.73   1.0   0.02   0.02) =   0.003%
          QG    LYS+  66 - HN    LEU  115  15.09 +/- 4.01   1.900% *  0.0299% (0.38   1.0   0.02   0.02) =   0.001%
          HG    LEU   73 - HN    LEU  115  18.93 +/- 4.34   0.866% *  0.0451% (0.57   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    LEU  115  17.68 +/- 3.33   0.456% *  0.0797% (1.00   1.0   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    LEU  115  18.10 +/- 2.64   0.340% *  0.0781% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU  115  19.50 +/- 2.81   0.278% *  0.0388% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU  115  17.79 +/- 3.28   0.583% *  0.0177% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU  115  23.18 +/- 1.40   0.129% *  0.0548% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 631 (1.14, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.515, support = 1.36, residual support = 6.2:
          QG2   VAL  107 - HN    LEU  115   5.58 +/- 2.92  45.174% * 45.2749% (0.53   1.50   6.48) =  68.837%  kept
          HG13  ILE  119 - HN    LEU  115   7.68 +/- 1.08  13.147% * 41.3877% (0.73   0.99   7.75) =  18.314%  kept
          HD3   LYS+ 112 - HN    LEU  115   5.68 +/- 1.42  36.509% * 10.3418% (0.15   1.16   2.55) =  12.708%  kept
          HG2   LYS+ 121 - HN    LEU  115  12.82 +/- 1.43   2.059% *  0.8794% (0.76   0.02   0.02) =   0.061%
          QB    ALA   20 - HN    LEU  115  18.08 +/- 3.88   1.416% *  1.1482% (1.00   0.02   0.02) =   0.055%
          HB3   LEU   31 - HN    LEU  115  23.45 +/- 3.48   0.768% *  0.7905% (0.69   0.02   0.02) =   0.020%
          HG13  ILE  103 - HN    LEU  115  16.86 +/- 1.94   0.926% *  0.1776% (0.15   0.02   0.02) =   0.006%
    Distance limit 3.91 A violated in 0 structures by 0.21 A, kept.
 
    Peak 632 (0.61, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.646, support = 8.88, residual support = 222.3:
          QD2   LEU  115 - HN    LEU  115   3.82 +/- 0.54  78.162% * 97.5477% (0.65   8.91 222.88) =  99.757%  kept
          QD1   LEU   63 - HN    LEU  115   9.48 +/- 3.05  12.319% *  1.3756% (0.31   0.26   0.02) =   0.222%  kept
          QD1   LEU  104 - HN    LEU  115  14.71 +/- 2.82   1.952% *  0.3037% (0.90   0.02   0.02) =   0.008%
          QD1   LEU   73 - HN    LEU  115  16.31 +/- 3.96   3.618% *  0.1045% (0.31   0.02   0.02) =   0.005%
          QG2   ILE   89 - HN    LEU  115  12.95 +/- 1.66   2.477% *  0.1155% (0.34   0.02   0.02) =   0.004%
          QG1   VAL   83 - HN    LEU  115  18.78 +/- 2.25   0.742% *  0.3204% (0.95   0.02   0.02) =   0.003%
          QD2   LEU   80 - HN    LEU  115  19.44 +/- 3.24   0.730% *  0.2326% (0.69   0.02   0.02) =   0.002%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 633 (0.45, 8.40, 122.87 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 7.36, residual support = 222.9:
          QD1   LEU  115 - HN    LEU  115   3.87 +/- 0.49  96.150% * 99.6800% (0.80   7.36 222.88) =  99.987%  kept
          QG1   VAL   75 - HN    LEU  115  13.76 +/- 2.29   3.850% *  0.3200% (0.95   0.02   0.02) =   0.013%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 634 (1.84, 8.62, 122.05 ppm):
    14 chemical-shift based assignments, quality = 0.575, support = 6.77, residual support = 138.6:
      O   HB    ILE  103 - HN    ILE  103   2.30 +/- 0.34  59.259% * 65.0421% (0.53  10.0   6.73 138.66) =  82.252%  kept
          HG12  ILE  103 - HN    ILE  103   3.31 +/- 0.46  24.257% * 34.2385% (0.80   1.0   6.92 138.66) =  17.723%  kept
          HB    VAL   41 - HN    ILE  103  12.08 +/- 5.83  13.036% *  0.0800% (0.65   1.0   0.02   0.02) =   0.022%
          HB3   ASP- 105 - HN    ILE  103   9.04 +/- 0.48   0.930% *  0.0554% (0.45   1.0   0.02   3.39) =   0.001%
          QB    LYS+ 106 - HN    ILE  103   7.84 +/- 1.02   1.528% *  0.0245% (0.20   1.0   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    ILE  103  21.94 +/- 5.82   0.122% *  0.0700% (0.57   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ILE  103  23.43 +/- 4.55   0.068% *  0.1212% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE  103  17.10 +/- 3.87   0.185% *  0.0422% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE  103  19.81 +/- 3.72   0.220% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ILE  103  26.08 +/- 3.51   0.047% *  0.1212% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    ILE  103  20.21 +/- 3.19   0.097% *  0.0554% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ILE  103  26.88 +/- 4.23   0.083% *  0.0602% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE  103  19.70 +/- 1.89   0.091% *  0.0344% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    ILE  103  20.50 +/- 1.11   0.077% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 635 (1.15, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.23, residual support = 138.6:
          HG13  ILE  103 - HN    ILE  103   3.77 +/- 0.58  86.463% * 98.5443% (0.65   6.23 138.66) =  99.952%  kept
          QG2   VAL  107 - HN    ILE  103  12.09 +/- 1.06   3.165% *  0.4848% (0.99   0.02   0.02) =   0.018%
          HG2   LYS+ 121 - HN    ILE  103  19.01 +/- 8.03   2.299% *  0.4720% (0.97   0.02   0.02) =   0.013%
          QB    ALA   20 - HN    ILE  103  17.50 +/- 4.13   3.323% *  0.3164% (0.65   0.02   0.02) =   0.012%
          HB3   LEU   31 - HN    ILE  103  14.29 +/- 5.84   3.994% *  0.0857% (0.18   0.02   0.02) =   0.004%
          HG13  ILE  119 - HN    ILE  103  20.06 +/- 3.49   0.755% *  0.0968% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.01 A violated in 0 structures by 0.04 A, kept.
 
    Peak 636 (0.98, 8.62, 122.05 ppm):
    8 chemical-shift based assignments, quality = 0.717, support = 6.05, residual support = 138.6:
          QD1   ILE  103 - HN    ILE  103   2.35 +/- 0.63  68.187% * 27.4703% (0.45   5.59 138.66) =  51.165%  kept
          QG2   ILE  103 - HN    ILE  103   3.62 +/- 0.08  24.947% * 71.6140% (1.00   6.54 138.66) =  48.799%  kept
          QD2   LEU   40 - HN    ILE  103  10.97 +/- 5.44   3.660% *  0.2114% (0.97   0.02   0.02) =   0.021%
          QD1   LEU   67 - HN    ILE  103  15.85 +/- 3.74   1.835% *  0.2147% (0.98   0.02   0.02) =   0.011%
          QD2   LEU   71 - HN    ILE  103  16.42 +/- 3.36   0.394% *  0.1240% (0.57   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    ILE  103  19.71 +/- 3.97   0.217% *  0.2147% (0.98   0.02   0.02) =   0.001%
          HB    VAL   75 - HN    ILE  103  16.99 +/- 3.07   0.444% *  0.0900% (0.41   0.02   0.02) =   0.001%
          QG2   ILE  119 - HN    ILE  103  18.22 +/- 3.17   0.316% *  0.0609% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 637 (1.55, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.458, support = 7.19, residual support = 207.0:
          HG    LEU  104 - HN    LEU  104   3.09 +/- 0.76  75.392% * 82.7610% (0.45   7.45 215.53) =  96.022%  kept
          HG2   LYS+ 106 - HN    LEU  104   6.16 +/- 1.05  16.463% * 15.5663% (0.69   0.91   0.02) =   3.944%  kept
          HB3   LYS+ 121 - HN    LEU  104  14.58 +/- 7.77   5.219% *  0.2221% (0.45   0.02   0.02) =   0.018%
          HG2   LYS+  33 - HN    LEU  104  18.11 +/- 3.56   0.928% *  0.4910% (0.99   0.02   0.02) =   0.007%
          HD3   LYS+  74 - HN    LEU  104  18.04 +/- 3.58   0.831% *  0.3005% (0.61   0.02   0.02) =   0.004%
          QG    LYS+  81 - HN    LEU  104  19.69 +/- 3.41   0.570% *  0.3786% (0.76   0.02   0.02) =   0.003%
          HB3   LYS+ 111 - HN    LEU  104  17.93 +/- 3.19   0.596% *  0.2805% (0.57   0.02   0.02) =   0.003%
    Distance limit 3.71 A violated in 0 structures by 0.06 A, kept.
 
    Peak 638 (1.00, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.282, support = 6.98, residual support = 127.3:
      O   HB2   LEU  104 - HN    LEU  104   2.90 +/- 0.39  31.773% * 65.9801% (0.22  10.0   7.38 215.53) =  50.083%  kept
          QG2   ILE  103 - HN    LEU  104   2.11 +/- 0.34  62.854% * 33.2308% (0.34   1.0   6.57  38.81) =  49.899%  kept
          QD2   LEU   40 - HN    LEU  104   8.72 +/- 5.26   3.598% *  0.1443% (0.49   1.0   0.02   0.02) =   0.012%
          QD1   LEU   67 - HN    LEU  104  13.43 +/- 3.77   1.038% *  0.1329% (0.45   1.0   0.02   0.02) =   0.003%
          HB    VAL   75 - HN    LEU  104  14.93 +/- 2.54   0.211% *  0.2937% (0.99   1.0   0.02   0.02) =   0.001%
          QD1   ILE  119 - HN    LEU  104  14.59 +/- 3.03   0.281% *  0.1443% (0.49   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    LEU  104  17.58 +/- 4.10   0.246% *  0.0739% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 639 (0.72, 9.38, 128.74 ppm):
    5 chemical-shift based assignments, quality = 0.775, support = 7.3, residual support = 168.9:
          QD2   LEU  104 - HN    LEU  104   3.02 +/- 0.88  63.831% * 63.4785% (0.80   7.90 215.53) =  77.197%  kept
          QD1   LEU   98 - HN    LEU  104   4.40 +/- 0.70  32.978% * 36.2852% (0.69   5.27  11.02) =  22.798%  kept
          QD1   ILE   19 - HN    LEU  104  15.11 +/- 3.26   0.890% *  0.1298% (0.65   0.02   0.02) =   0.002%
          QG2   THR   46 - HN    LEU  104  14.34 +/- 2.59   1.354% *  0.0619% (0.31   0.02   0.02) =   0.002%
          QG2   VAL   18 - HN    LEU  104  14.77 +/- 3.69   0.947% *  0.0447% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 640 (3.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.678, support = 7.7, residual support = 59.6:
          HB2   PHE   97 - HN    ASP- 105   2.08 +/- 0.42  86.323% * 74.3237% (0.69   7.79  60.54) =  97.587%  kept
          QE    LYS+ 106 - HN    ASP- 105   5.91 +/- 0.81   8.198% * 16.9981% (0.25   4.91  22.22) =   2.120%  kept
          QE    LYS+  99 - HN    ASP- 105   8.09 +/- 1.07   2.502% *  6.2860% (0.90   0.50   0.44) =   0.239%  kept
          QE    LYS+ 102 - HN    ASP- 105   8.85 +/- 1.12   1.712% *  1.9730% (0.41   0.35   0.02) =   0.051%
          HB3   TRP   27 - HN    ASP- 105  16.39 +/- 3.41   0.567% *  0.2018% (0.73   0.02   0.02) =   0.002%
          QE    LYS+  38 - HN    ASP- 105  16.25 +/- 4.22   0.303% *  0.1798% (0.65   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    ASP- 105  15.06 +/- 3.40   0.395% *  0.0376% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 641 (2.37, 7.80, 116.22 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.65, residual support = 60.5:
          HB3   PHE   97 - HN    ASP- 105   2.67 +/- 0.71  94.145% * 98.7249% (0.90   5.65  60.54) =  99.983%  kept
          HB2   GLU- 100 - HN    ASP- 105  11.42 +/- 1.15   1.978% *  0.3896% (1.00   0.02   0.02) =   0.008%
          HB2   GLN  116 - HN    ASP- 105  16.54 +/- 3.43   0.777% *  0.3819% (0.98   0.02   0.02) =   0.003%
          HB2   PRO   58 - HN    ASP- 105  18.43 +/- 4.60   1.449% *  0.1747% (0.45   0.02   0.02) =   0.003%
          QG    GLU-  79 - HN    ASP- 105  18.47 +/- 3.64   1.039% *  0.2206% (0.57   0.02   0.02) =   0.002%
          QG    GLN   32 - HN    ASP- 105  18.01 +/- 3.41   0.612% *  0.1083% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 642 (2.24, 7.80, 116.22 ppm):
    11 chemical-shift based assignments, quality = 0.801, support = 4.66, residual support = 41.3:
      O   HB2   ASP- 105 - HN    ASP- 105   3.68 +/- 0.22  84.541% * 99.3924% (0.80  10.0   4.66  41.30) =  99.990%  kept
          HG12  ILE  119 - HN    ASP- 105  14.36 +/- 4.81   2.949% *  0.0853% (0.69   1.0   0.02   0.02) =   0.003%
          HG2   GLU- 100 - HN    ASP- 105  11.78 +/- 1.12   2.818% *  0.0604% (0.49   1.0   0.02   0.02) =   0.002%
          HB3   ASP-  76 - HN    ASP- 105  19.01 +/- 3.44   1.238% *  0.0703% (0.57   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    ASP- 105  20.87 +/- 3.34   0.623% *  0.1217% (0.98   1.0   0.02   0.02) =   0.001%
          HB3   PHE   72 - HN    ASP- 105  13.45 +/- 2.67   2.189% *  0.0345% (0.28   1.0   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    ASP- 105  19.81 +/- 0.90   0.577% *  0.1241% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    ASP- 105  12.85 +/- 2.11   2.384% *  0.0246% (0.20   1.0   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    ASP- 105  16.43 +/- 1.71   1.099% *  0.0423% (0.34   1.0   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    ASP- 105  22.25 +/- 4.14   0.666% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP- 105  19.82 +/- 3.98   0.917% *  0.0168% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 643 (1.87, 7.80, 116.22 ppm):
    13 chemical-shift based assignments, quality = 0.777, support = 4.53, residual support = 39.3:
      O   HB3   ASP- 105 - HN    ASP- 105   2.94 +/- 0.28  66.314% * 70.4939% (0.76  10.0   4.56  41.30) =  91.601%  kept
          QB    LYS+ 106 - HN    ASP- 105   4.89 +/- 0.33  15.352% * 21.4872% (0.98   1.0   4.75  22.22) =   6.464%  kept
          HB    ILE  103 - HN    ASP- 105   5.19 +/- 0.39  13.331% *  7.3873% (0.69   1.0   2.33   3.39) =   1.930%  kept
          HG3   PRO   68 - HN    ASP- 105  18.23 +/- 5.76   1.014% *  0.0597% (0.65   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    ASP- 105  19.36 +/- 3.24   0.562% *  0.0890% (0.97   1.0   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    ASP- 105  17.74 +/- 3.52   0.449% *  0.0800% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    ASP- 105  17.77 +/- 5.43   0.489% *  0.0670% (0.73   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ASP- 105  17.83 +/- 2.81   0.372% *  0.0800% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    ASP- 105  18.21 +/- 2.12   0.326% *  0.0852% (0.92   1.0   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    ASP- 105  17.11 +/- 3.04   0.553% *  0.0485% (0.53   1.0   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    ASP- 105  18.95 +/- 4.59   0.771% *  0.0205% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP- 105  22.59 +/- 3.40   0.194% *  0.0670% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASP- 105  18.58 +/- 0.92   0.274% *  0.0346% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 644 (1.55, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.539, support = 5.5, residual support = 30.8:
          HG    LEU  104 - HN    ASP- 105   4.25 +/- 0.55  51.116% * 51.2366% (0.45   6.48  36.07) =  61.895%  kept
          HG2   LYS+ 106 - HN    ASP- 105   5.19 +/- 0.88  33.834% * 47.5725% (0.69   3.93  22.22) =  38.040%  kept
          HB3   LYS+ 121 - HN    ASP- 105  13.12 +/- 7.97  10.876% *  0.1581% (0.45   0.02   0.02) =   0.041%
          HB3   LYS+ 111 - HN    ASP- 105  16.08 +/- 3.38   1.365% *  0.1997% (0.57   0.02   0.02) =   0.006%
          HD3   LYS+  74 - HN    ASP- 105  17.75 +/- 3.49   1.268% *  0.2139% (0.61   0.02   0.02) =   0.006%
          HG2   LYS+  33 - HN    ASP- 105  19.16 +/- 3.18   0.762% *  0.3496% (0.99   0.02   0.02) =   0.006%
          QG    LYS+  81 - HN    ASP- 105  19.57 +/- 3.20   0.779% *  0.2695% (0.76   0.02   0.02) =   0.005%
    Distance limit 4.58 A violated in 0 structures by 0.01 A, kept.
 
    Peak 645 (1.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.276, support = 4.68, residual support = 21.4:
          HB2   LEU  104 - HN    ASP- 105   2.88 +/- 0.44  39.686% * 60.6686% (0.22   6.41  36.07) =  55.145%  kept
          QG2   ILE  103 - HN    ASP- 105   2.57 +/- 0.64  52.748% * 37.0667% (0.34   2.55   3.39) =  44.781%  kept
          QD2   LEU   40 - HN    ASP- 105   8.96 +/- 4.85   3.342% *  0.4140% (0.49   0.02   0.02) =   0.032%
          QD1   LEU   67 - HN    ASP- 105  13.08 +/- 3.68   2.732% *  0.3814% (0.45   0.02   0.02) =   0.024%
          HB    VAL   75 - HN    ASP- 105  14.68 +/- 2.27   0.562% *  0.8431% (0.99   0.02   0.02) =   0.011%
          QD1   ILE  119 - HN    ASP- 105  13.25 +/- 3.52   0.569% *  0.4140% (0.49   0.02   0.02) =   0.005%
          HG3   LYS+  74 - HN    ASP- 105  17.33 +/- 4.03   0.361% *  0.2121% (0.25   0.02   0.02) =   0.002%
    Distance limit 3.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 646 (2.24, 8.97, 118.18 ppm):
    8 chemical-shift based assignments, quality = 0.979, support = 3.77, residual support = 22.2:
          HB2   ASP- 105 - HN    LYS+ 106   2.89 +/- 0.45  89.497% * 91.0017% (0.98   3.78  22.22) =  99.790%  kept
          HG12  ILE  119 - HN    LYS+ 106  13.03 +/- 4.63   2.166% *  7.1513% (0.41   0.71   0.02) =   0.190%  kept
          HB2   MET   96 - HN    LYS+ 106   8.02 +/- 0.60   5.369% *  0.1516% (0.31   0.02   2.13) =   0.010%
          HG2   GLU- 100 - HN    LYS+ 106  15.83 +/- 1.46   0.856% *  0.3754% (0.76   0.02   0.02) =   0.004%
          HG3   MET   92 - HN    LYS+ 106  17.72 +/- 0.93   0.467% *  0.4405% (0.90   0.02   0.02) =   0.003%
          HB3   ASP-  76 - HN    LYS+ 106  19.59 +/- 3.16   0.431% *  0.4103% (0.84   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    LYS+ 106  23.49 +/- 3.06   0.213% *  0.3933% (0.80   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    LYS+ 106  15.19 +/- 2.16   1.001% *  0.0758% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.58 A violated in 0 structures by 0.02 A, kept.
 
    Peak 647 (1.87, 8.97, 118.18 ppm):
    13 chemical-shift based assignments, quality = 0.967, support = 5.3, residual support = 128.5:
      O   QB    LYS+ 106 - HN    LYS+ 106   2.82 +/- 0.29  64.145% * 86.5077% (0.98  10.0   5.40 135.48) =  93.858%  kept
          HB3   ASP- 105 - HN    LYS+ 106   3.86 +/- 0.34  28.272% * 12.8275% (0.76   1.0   3.80  22.22) =   6.134%  kept
          HB    ILE  103 - HN    LYS+ 106   7.29 +/- 0.57   3.914% *  0.0606% (0.69   1.0   0.02   0.02) =   0.004%
          HB    ILE   56 - HN    LYS+ 106  15.93 +/- 3.73   0.558% *  0.0766% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    LYS+ 106  16.68 +/- 2.71   0.440% *  0.0815% (0.92   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    LYS+ 106  19.26 +/- 2.61   0.359% *  0.0852% (0.97   1.0   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    LYS+ 106  19.77 +/- 5.31   0.527% *  0.0571% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    LYS+ 106  20.82 +/- 4.29   0.241% *  0.0641% (0.73   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+ 106  20.61 +/- 2.47   0.200% *  0.0766% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+ 106  21.06 +/- 3.35   0.228% *  0.0641% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+ 106  19.60 +/- 2.83   0.296% *  0.0464% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+ 106  16.51 +/- 1.06   0.341% *  0.0331% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+ 106  18.29 +/- 4.36   0.479% *  0.0196% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 650 (0.25, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 2.56, residual support = 3.06:
          QG2   THR  118 - HN    LYS+ 106   8.53 +/- 5.53 100.000% *100.0000% (0.53   2.56   3.06) = 100.000%  kept
    Distance limit 4.74 A violated in 8 structures by 3.97 A, kept.
 
    Peak 651 (3.20, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.31, residual support = 47.0:
          HB2   PHE   95 - HN    VAL  107   2.86 +/- 0.69 100.000% *100.0000% (1.00   2.31  46.96) = 100.000%  kept
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 652 (2.41, 9.57, 125.50 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.33, residual support = 60.2:
      O   HB    VAL  107 - HN    VAL  107   2.47 +/- 0.16  92.966% * 99.7350% (0.99  10.0   3.33  60.19) =  99.995%  kept
          HB3   PHE   45 - HN    VAL  107   9.02 +/- 1.52   3.423% *  0.0691% (0.69   1.0   0.02   0.02) =   0.003%
          QE    LYS+ 112 - HN    VAL  107  11.67 +/- 2.68   2.555% *  0.0691% (0.69   1.0   0.02   0.02) =   0.002%
          QG    GLN   32 - HN    VAL  107  20.75 +/- 3.06   0.376% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    VAL  107  16.68 +/- 2.59   0.552% *  0.0378% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    VAL  107  23.65 +/- 2.66   0.128% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 653 (1.88, 9.57, 125.50 ppm):
    13 chemical-shift based assignments, quality = 0.52, support = 5.05, residual support = 26.2:
          QB    LYS+ 106 - HN    VAL  107   3.25 +/- 0.33  73.961% * 85.1543% (0.53   5.13  26.74) =  97.826%  kept
          HB3   ASP- 105 - HN    VAL  107   6.27 +/- 0.57  12.480% * 10.8398% (0.25   1.38   0.02) =   2.101%  kept
          HB    ILE   56 - HN    VAL  107  12.89 +/- 3.82   2.065% *  0.5822% (0.92   0.02   0.02) =   0.019%
          HB3   PRO   58 - HN    VAL  107  15.76 +/- 4.12   1.887% *  0.4579% (0.73   0.02   0.02) =   0.013%
          HB2   MET   92 - HN    VAL  107  12.71 +/- 0.90   1.427% *  0.5656% (0.90   0.02   0.02) =   0.013%
          HB    ILE  103 - HN    VAL  107   9.46 +/- 0.48   3.260% *  0.1248% (0.20   0.02   0.02) =   0.006%
          HB3   GLN   90 - HN    VAL  107  13.66 +/- 2.15   1.539% *  0.2593% (0.41   0.02   0.02) =   0.006%
          HB3   GLN   30 - HN    VAL  107  18.61 +/- 1.88   0.469% *  0.6181% (0.98   0.02   0.02) =   0.005%
          QB    LYS+  81 - HN    VAL  107  16.64 +/- 2.23   0.781% *  0.3070% (0.49   0.02   0.02) =   0.004%
          HB3   LYS+  38 - HN    VAL  107  21.33 +/- 3.06   0.330% *  0.6251% (0.99   0.02   0.02) =   0.003%
          HG3   PRO   68 - HN    VAL  107  18.86 +/- 4.51   0.861% *  0.1104% (0.18   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    VAL  107  17.80 +/- 3.06   0.586% *  0.1404% (0.22   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    VAL  107  20.29 +/- 1.89   0.355% *  0.2151% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 654 (1.12, 9.57, 125.50 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.12, residual support = 60.0:
          QG1   VAL  107 - HN    VAL  107   3.40 +/- 0.43  84.258% * 91.2211% (0.20   4.14  60.19) =  99.707%  kept
          HG13  ILE  119 - HN    VAL  107  11.98 +/- 3.84   3.505% *  2.2095% (0.99   0.02   0.02) =   0.100%  kept
          HD3   LYS+ 112 - HN    VAL  107  13.02 +/- 2.39   3.074% *  1.3521% (0.61   0.02   0.02) =   0.054%
          QB    ALA   20 - HN    VAL  107  15.96 +/- 3.38   3.045% *  1.3521% (0.61   0.02   0.02) =   0.053%
          QG1   VAL   24 - HN    VAL  107  16.12 +/- 3.00   2.691% *  1.0851% (0.49   0.02   0.02) =   0.038%
          HB3   LEU   31 - HN    VAL  107  17.52 +/- 2.96   1.034% *  2.2243% (1.00   0.02   0.02) =   0.030%
          HG2   LYS+ 121 - HN    VAL  107  14.63 +/- 6.06   2.393% *  0.5559% (0.25   0.02   0.02) =   0.017%
    Distance limit 3.79 A violated in 0 structures by 0.01 A, kept.
 
    Peak 655 (2.05, 9.14, 128.89 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 4.7, residual support = 65.0:
      O   HB    VAL  108 - HN    VAL  108   2.84 +/- 0.51  85.572% * 99.4150% (0.95  10.0   4.71  65.03) =  99.990%  kept
          HB2   PRO   93 - HN    VAL  108   9.56 +/- 2.01   4.270% *  0.0994% (0.95   1.0   0.02   0.02) =   0.005%
          HB    ILE  119 - HN    VAL  108  13.63 +/- 3.51   1.687% *  0.0803% (0.76   1.0   0.02   0.02) =   0.002%
          HG3   PRO   52 - HN    VAL  108  15.97 +/- 5.28   5.192% *  0.0184% (0.18   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    VAL  108  17.63 +/- 3.74   0.891% *  0.1030% (0.98   1.0   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    VAL  108  21.09 +/- 1.55   0.307% *  0.0722% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    VAL  108  15.77 +/- 4.03   1.172% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    VAL  108  22.32 +/- 1.88   0.236% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    VAL  108  23.38 +/- 1.95   0.207% *  0.0471% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    VAL  108  23.14 +/- 3.98   0.285% *  0.0162% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    VAL  108  30.38 +/- 3.06   0.112% *  0.0234% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    VAL  108  36.86 +/- 4.70   0.070% *  0.0262% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 656 (1.13, 9.14, 128.89 ppm):
    7 chemical-shift based assignments, quality = 0.278, support = 3.63, residual support = 19.6:
          QG2   VAL  107 - HN    VAL  108   3.57 +/- 0.50  87.492% * 92.9841% (0.28   3.64  19.67) =  99.830%  kept
          HG13  ILE  119 - HN    VAL  108  13.32 +/- 3.18   2.726% *  1.7402% (0.95   0.02   0.02) =   0.058%
          QB    ALA   20 - HN    VAL  108  18.77 +/- 3.26   1.838% *  1.5958% (0.87   0.02   0.02) =   0.036%
          HD3   LYS+ 112 - HN    VAL  108  12.08 +/- 1.91   3.812% *  0.6275% (0.34   0.02   0.02) =   0.029%
          HG2   LYS+ 121 - HN    VAL  108  16.02 +/- 5.65   2.257% *  0.8955% (0.49   0.02   0.02) =   0.025%
          HB3   LEU   31 - HN    VAL  108  21.00 +/- 3.08   0.743% *  1.6982% (0.92   0.02   0.02) =   0.015%
          QG1   VAL   24 - HN    VAL  108  18.46 +/- 2.88   1.132% *  0.4587% (0.25   0.02   0.02) =   0.006%
    Distance limit 3.68 A violated in 0 structures by 0.17 A, kept.
 
    Peak 658 (1.07, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.65, residual support = 19.6:
          QG1   VAL  107 - HN    VAL  108   3.43 +/- 0.54  91.821% * 95.7585% (0.25   4.66  19.67) =  99.886%  kept
          HG3   LYS+ 112 - HN    VAL  108  11.50 +/- 1.78   5.114% *  1.0004% (0.61   0.02   0.02) =   0.058%
          HG    LEU   63 - HN    VAL  108  15.34 +/- 2.84   2.070% *  1.5918% (0.97   0.02   0.02) =   0.037%
          QG2   VAL   24 - HN    VAL  108  17.68 +/- 2.58   0.995% *  1.6494% (1.00   0.02   0.02) =   0.019%
    Distance limit 3.54 A violated in 0 structures by 0.18 A, kept.
 
    Peak 659 (3.73, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.64, residual support = 26.3:
      O   HA    VAL   75 - HN    ASP-  76   2.22 +/- 0.06  92.508% * 99.6957% (0.69  10.0   4.64  26.32) =  99.992%  kept
          HA    ALA   61 - HN    ASP-  76  10.65 +/- 3.62   6.443% *  0.0997% (0.69   1.0   0.02   0.02) =   0.007%
          HD3   PRO   58 - HN    ASP-  76  15.83 +/- 3.81   0.667% *  0.1340% (0.92   1.0   0.02   0.02) =   0.001%
          HD2   PRO   68 - HN    ASP-  76  15.97 +/- 2.55   0.381% *  0.0706% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 660 (2.90, 9.10, 128.88 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 3.66, residual support = 35.5:
      O   HB2   ASP-  76 - HN    ASP-  76   2.82 +/- 0.42  87.332% * 96.3222% (1.00  10.0   3.67  35.66) =  99.632%  kept
          HB2   ASP-  78 - HN    ASP-  76   6.99 +/- 1.03   8.770% *  3.5256% (0.73   1.0   1.01   4.86) =   0.366%  kept
          HB2   ASN   69 - HN    ASP-  76  18.34 +/- 3.17   0.693% *  0.0944% (0.98   1.0   0.02   0.02) =   0.001%
          QE    LYS+  33 - HN    ASP-  76  15.63 +/- 3.28   1.512% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    ASP-  76  15.30 +/- 2.50   0.927% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  76  15.05 +/- 2.72   0.766% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 661 (2.25, 9.10, 128.88 ppm):
    11 chemical-shift based assignments, quality = 0.279, support = 3.68, residual support = 35.4:
      O   HB3   ASP-  76 - HN    ASP-  76   3.15 +/- 0.60  71.222% * 94.1830% (0.28  10.0   3.70  35.66) =  99.278%  kept
          HB2   ASP-  44 - HN    ASP-  76   8.25 +/- 2.77  11.435% *  3.9506% (0.45   1.0   0.52   0.02) =   0.669%  kept
          QG    GLN   90 - HN    ASP-  76  12.08 +/- 2.96   7.161% *  0.2191% (0.65   1.0   0.02   0.02) =   0.023%
          HB3   PHE   72 - HN    ASP-  76  10.68 +/- 1.46   2.567% *  0.1918% (0.57   1.0   0.02   0.02) =   0.007%
          HG3   MET   92 - HN    ASP-  76  14.14 +/- 4.37   1.619% *  0.2938% (0.87   1.0   0.02   0.02) =   0.007%
          HB2   GLU-  29 - HN    ASP-  76  15.81 +/- 2.55   0.860% *  0.3204% (0.95   1.0   0.02   0.02) =   0.004%
          QG    GLU-  15 - HN    ASP-  76  16.99 +/- 3.87   2.357% *  0.1155% (0.34   1.0   0.02   0.02) =   0.004%
          HG12  ILE  119 - HN    ASP-  76  16.93 +/- 2.81   0.612% *  0.3204% (0.95   1.0   0.02   0.02) =   0.003%
          QG    GLU-  14 - HN    ASP-  76  17.10 +/- 3.18   0.971% *  0.1649% (0.49   1.0   0.02   0.02) =   0.002%
          HB2   ASP- 105 - HN    ASP-  76  17.94 +/- 2.74   0.527% *  0.1649% (0.49   1.0   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    ASP-  76  20.83 +/- 4.09   0.670% *  0.0754% (0.22   1.0   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 0 structures by 0.02 A, kept.
 
    Peak 662 (0.45, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 4.97, residual support = 26.3:
          QG1   VAL   75 - HN    ASP-  76   3.22 +/- 0.42  95.302% * 99.7155% (0.69   4.97  26.32) =  99.986%  kept
          QD1   LEU  115 - HN    ASP-  76  13.05 +/- 3.05   4.698% *  0.2845% (0.49   0.02   0.02) =   0.014%
    Distance limit 3.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 663 (0.13, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.64, residual support = 26.3:
          QG2   VAL   75 - HN    ASP-  76   3.34 +/- 0.73  94.654% * 99.6072% (0.98   4.64  26.32) =  99.978%  kept
          QG2   VAL   42 - HN    ASP-  76  10.29 +/- 1.54   5.346% *  0.3928% (0.90   0.02   0.02) =   0.022%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 664 (3.69, 8.60, 114.88 ppm):
    6 chemical-shift based assignments, quality = 0.427, support = 2.2, residual support = 9.32:
      O   HA2   GLY  109 - HN    GLY  109   2.68 +/- 0.29  93.791% * 99.3336% (0.43  10.0   2.20   9.32) =  99.990%  kept
          HB2   TRP   49 - HN    GLY  109  16.36 +/- 4.60   2.946% *  0.1620% (0.70   1.0   0.02   0.02) =   0.005%
          HA    THR  118 - HN    GLY  109  13.44 +/- 2.96   1.124% *  0.1522% (0.65   1.0   0.02   0.02) =   0.002%
          HA    ALA   84 - HN    GLY  109  13.88 +/- 2.74   0.963% *  0.1341% (0.58   1.0   0.02   0.02) =   0.001%
          HA    ILE  119 - HN    GLY  109  15.25 +/- 2.67   0.665% *  0.1693% (0.73   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    GLY  109  16.80 +/- 3.30   0.511% *  0.0488% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 666 (1.22, 8.60, 114.88 ppm):
    8 chemical-shift based assignments, quality = 0.523, support = 0.0583, residual support = 0.02:
          HG3   LYS+ 111 - HN    GLY  109   7.25 +/- 1.42  44.455% * 15.9156% (0.70   0.02   0.02) =  41.377%  kept
          HD2   LYS+ 112 - HN    GLY  109  11.10 +/- 2.13  20.172% * 25.3035% (0.15   0.15   0.02) =  29.850%  kept
          HG12  ILE   89 - HN    GLY  109  10.04 +/- 2.45  23.021% * 16.6390% (0.73   0.02   0.02) =  22.401%  kept
          HG2   LYS+  74 - HN    GLY  109  17.51 +/- 3.25   3.978% * 10.4573% (0.46   0.02   0.02) =   2.433%  kept
          HG    LEU   71 - HN    GLY  109  23.21 +/- 3.13   2.276% * 11.1534% (0.49   0.02   0.02) =   1.485%  kept
          HG3   LYS+  99 - HN    GLY  109  21.07 +/- 1.15   2.210% *  9.7612% (0.43   0.02   0.02) =   1.261%  kept
          HG13  ILE   19 - HN    GLY  109  24.17 +/- 2.99   1.700% *  6.4708% (0.28   0.02   0.02) =   0.643%  kept
          HB3   LEU   71 - HN    GLY  109  22.69 +/- 3.25   2.188% *  4.2991% (0.19   0.02   0.02) =   0.550%  kept
    Distance limit 4.66 A violated in 10 structures by 1.92 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 667 (0.90, 8.60, 114.88 ppm):
    4 chemical-shift based assignments, quality = 0.655, support = 3.09, residual support = 7.43:
          QG1   VAL  108 - HN    GLY  109   2.80 +/- 0.38  97.823% * 98.9380% (0.65   3.09   7.43) =  99.992%  kept
          QD1   LEU   40 - HN    GLY  109  15.91 +/- 1.76   0.687% *  0.5069% (0.52   0.02   0.02) =   0.004%
          QD2   LEU   67 - HN    GLY  109  17.48 +/- 3.45   0.760% *  0.3034% (0.31   0.02   0.02) =   0.002%
          HB3   LEU   63 - HN    GLY  109  16.38 +/- 3.02   0.730% *  0.2517% (0.26   0.02   0.02) =   0.002%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 668 (3.69, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 2.2, residual support = 6.4:
      O   HA2   GLY  109 - HN    ALA  110   2.84 +/- 0.36  94.721% * 99.3336% (0.57  10.0   2.20   6.40) =  99.992%  kept
          HA    THR  118 - HN    ALA  110  12.80 +/- 2.45   1.568% *  0.1522% (0.87   1.0   0.02   0.02) =   0.003%
          HA    ILE  119 - HN    ALA  110  14.34 +/- 2.38   1.092% *  0.1693% (0.97   1.0   0.02   0.02) =   0.002%
          HB2   TRP   49 - HN    ALA  110  15.96 +/- 4.00   1.070% *  0.1620% (0.92   1.0   0.02   0.02) =   0.002%
          HA    ALA   84 - HN    ALA  110  15.40 +/- 2.80   0.994% *  0.1341% (0.76   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    ALA  110  17.54 +/- 2.98   0.555% *  0.0488% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 669 (1.84, 8.75, 122.21 ppm):
    14 chemical-shift based assignments, quality = 0.274, support = 0.678, residual support = 4.07:
          HG2   PRO   93 - HN    ALA  110   6.63 +/- 3.27  37.839% * 54.6666% (0.22   0.75   4.52) =  90.123%  kept
          HB3   PRO   52 - HN    ALA  110  11.48 +/- 5.09  18.002% *  6.4182% (0.98   0.02   0.02) =   5.034%  kept
          QB    LYS+ 106 - HN    ALA  110   8.95 +/- 1.05  16.851% *  1.2958% (0.20   0.02   0.02) =   0.951%  kept
          HB3   ASP- 105 - HN    ALA  110  13.33 +/- 1.49   4.616% *  2.9356% (0.45   0.02   0.02) =   0.590%  kept
          HG2   ARG+  54 - HN    ALA  110  14.72 +/- 3.78   4.028% *  3.1872% (0.49   0.02   0.02) =   0.559%  kept
          HG12  ILE  103 - HN    ALA  110  16.38 +/- 1.53   2.397% *  5.2431% (0.80   0.02   0.02) =   0.548%  kept
          HG    LEU  123 - HN    ALA  110  17.72 +/- 2.01   1.921% *  6.4182% (0.98   0.02   0.02) =   0.537%  kept
          HB    ILE  103 - HN    ALA  110  16.48 +/- 1.40   2.514% *  3.4450% (0.53   0.02   0.02) =   0.377%  kept
          HB3   GLN   90 - HN    ALA  110  13.44 +/- 3.00   4.547% *  1.8205% (0.28   0.02   0.02) =   0.361%  kept
          QB    LYS+  66 - HN    ALA  110  17.69 +/- 3.21   2.096% *  2.9356% (0.45   0.02   0.02) =   0.268%  kept
          HB    VAL   41 - HN    ALA  110  19.26 +/- 2.08   1.332% *  4.2358% (0.65   0.02   0.02) =   0.246%  kept
          HG3   PRO   68 - HN    ALA  110  22.27 +/- 4.90   1.404% *  3.7071% (0.57   0.02   0.02) =   0.227%  kept
          QB    LYS+  81 - HN    ALA  110  17.32 +/- 3.28   1.770% *  1.4578% (0.22   0.02   0.02) =   0.112%  kept
          QB    LYS+  33 - HN    ALA  110  25.50 +/- 2.51   0.682% *  2.2335% (0.34   0.02   0.02) =   0.066%
    Distance limit 4.42 A violated in 6 structures by 1.07 A, kept.
 
    Peak 670 (1.44, 8.75, 122.21 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 2.12, residual support = 9.58:
      O   QB    ALA  110 - HN    ALA  110   2.74 +/- 0.29  84.900% * 98.9553% (0.69  10.0   2.12   9.58) =  99.987%  kept
          HB3   LEU  115 - HN    ALA  110   7.70 +/- 2.61  11.039% *  0.0592% (0.41   1.0   0.02   0.02) =   0.008%
          QB    ALA   61 - HN    ALA  110  13.71 +/- 2.31   0.987% *  0.1292% (0.90   1.0   0.02   0.02) =   0.002%
          HG    LEU   73 - HN    ALA  110  19.52 +/- 3.87   0.680% *  0.1292% (0.90   1.0   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    ALA  110  18.36 +/- 3.56   0.434% *  0.1428% (0.99   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ALA  110  20.19 +/- 3.25   0.320% *  0.1412% (0.98   1.0   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    ALA  110  21.29 +/- 4.34   0.327% *  0.1046% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA  110  22.46 +/- 1.71   0.168% *  0.1154% (0.80   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA  110  19.63 +/- 1.98   0.252% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  110  20.00 +/- 3.94   0.331% *  0.0445% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA  110  19.81 +/- 4.18   0.416% *  0.0321% (0.22   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA  110  24.70 +/- 2.39   0.146% *  0.0874% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 671 (2.02, 7.58, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.997, support = 7.05, residual support = 314.8:
      O   HB2   LYS+ 111 - HN    LYS+ 111   3.03 +/- 0.66  60.054% * 99.3619% (1.00  10.0   7.06 314.87) =  99.965%  kept
          QB    GLU- 114 - HN    LYS+ 111   4.05 +/- 1.26  36.784% *  0.0524% (0.53   1.0   0.02   1.77) =   0.032%
          HB    ILE  119 - HN    LYS+ 111  11.91 +/- 1.45   1.423% *  0.0248% (0.25   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    LYS+ 111  23.12 +/- 4.15   0.390% *  0.0893% (0.90   1.0   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    LYS+ 111  21.90 +/- 4.52   0.480% *  0.0374% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 111  26.17 +/- 4.02   0.126% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 111  27.14 +/- 3.50   0.116% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 111  28.62 +/- 3.29   0.089% *  0.0864% (0.87   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 111  25.77 +/- 2.33   0.124% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 111  24.72 +/- 2.46   0.137% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 111  26.15 +/- 2.12   0.138% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 111  24.96 +/- 2.36   0.139% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 672 (1.52, 7.58, 125.75 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.5, residual support = 314.9:
      O   HB3   LYS+ 111 - HN    LYS+ 111   3.06 +/- 0.50  94.261% * 99.4649% (0.92  10.0   5.50 314.87) =  99.995%  kept
          QD    LYS+  66 - HN    LYS+ 111  18.71 +/- 4.18   1.550% *  0.0863% (0.80   1.0   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - HN    LYS+ 111  15.09 +/- 1.67   0.982% *  0.1056% (0.98   1.0   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HN    LYS+ 111  19.16 +/- 4.33   0.639% *  0.0966% (0.90   1.0   0.02   0.02) =   0.001%
          HG    LEU  104 - HN    LYS+ 111  19.00 +/- 2.39   0.449% *  0.1056% (0.98   1.0   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HN    LYS+ 111  15.61 +/- 2.28   1.010% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 111  19.70 +/- 3.16   0.615% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 111  22.81 +/- 2.23   0.316% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+ 111  28.12 +/- 2.39   0.178% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.13 A, kept.
 
    Peak 673 (1.22, 7.58, 125.75 ppm):
    8 chemical-shift based assignments, quality = 0.906, support = 6.49, residual support = 308.3:
          HG3   LYS+ 111 - HN    LYS+ 111   3.56 +/- 0.24  81.502% * 86.9429% (0.92   6.55 314.87) =  97.712%  kept
          HD2   LYS+ 112 - HN    LYS+ 111   7.59 +/- 1.38  13.652% * 12.0761% (0.20   4.24  28.75) =   2.273%  kept
          HG12  ILE   89 - HN    LYS+ 111  13.73 +/- 2.81   2.471% *  0.2777% (0.97   0.02   0.02) =   0.009%
          HG2   LYS+  74 - HN    LYS+ 111  18.43 +/- 3.42   0.797% *  0.1745% (0.61   0.02   0.02) =   0.002%
          HG    LEU   71 - HN    LYS+ 111  23.54 +/- 3.77   0.456% *  0.1861% (0.65   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HN    LYS+ 111  22.81 +/- 2.16   0.362% *  0.1629% (0.57   0.02   0.02) =   0.001%
          HB3   LEU   71 - HN    LYS+ 111  23.20 +/- 3.97   0.484% *  0.0717% (0.25   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    LYS+ 111  25.29 +/- 2.68   0.278% *  0.1080% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.12 A, kept.
 
    Peak 674 (0.80, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 1.88, residual support = 1.76:
          QD1   ILE   56 - HN    LYS+ 111   7.56 +/- 3.30  57.883% * 97.1310% (0.76   1.89   1.77) =  99.484%  kept
          HG3   LYS+ 121 - HN    LYS+ 111  16.26 +/- 2.05   8.731% *  1.2975% (0.97   0.02   0.02) =   0.200%  kept
          QD2   LEU   73 - HN    LYS+ 111  16.46 +/- 3.30  12.819% *  0.6544% (0.49   0.02   0.02) =   0.148%  kept
          QD2   LEU  123 - HN    LYS+ 111  14.41 +/- 1.58  16.139% *  0.4586% (0.34   0.02   0.02) =   0.131%  kept
          HG    LEU   31 - HN    LYS+ 111  23.69 +/- 3.07   4.428% *  0.4586% (0.34   0.02   0.02) =   0.036%
    Distance limit 3.89 A violated in 14 structures by 3.39 A, kept.
 
    Peak 675 (3.46, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.76, residual support = 238.1:
      O   HA    LYS+ 112 - HN    LYS+ 112   2.81 +/- 0.07  97.010% * 99.8622% (0.87  10.0   5.76 238.14) =  99.999%  kept
          HB    THR   46 - HN    LYS+ 112  13.53 +/- 3.63   2.351% *  0.0393% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   HIS  122 - HN    LYS+ 112  17.47 +/- 1.17   0.436% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LYS+ 112  25.77 +/- 5.29   0.203% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 676 (2.02, 8.49, 124.18 ppm):
    14 chemical-shift based assignments, quality = 0.866, support = 7.0, residual support = 28.7:
          HB2   LYS+ 111 - HN    LYS+ 112   3.78 +/- 0.42  64.691% * 97.2755% (0.87   7.02  28.75) =  99.730%  kept
          QB    GLU- 114 - HN    LYS+ 112   5.47 +/- 0.50  23.321% *  0.6656% (0.28   0.15   3.58) =   0.246%  kept
          HB    ILE  119 - HN    LYS+ 112  10.94 +/- 1.01   3.211% *  0.1555% (0.49   0.02   0.02) =   0.008%
          HB    VAL  108 - HN    LYS+ 112  11.40 +/- 1.41   3.395% *  0.0888% (0.28   0.02   0.02) =   0.005%
          HB2   ARG+  54 - HN    LYS+ 112  12.02 +/- 2.91   2.740% *  0.0711% (0.22   0.02   0.02) =   0.003%
          HB3   PRO   68 - HN    LYS+ 112  22.97 +/- 3.55   0.504% *  0.3194% (1.00   0.02   0.02) =   0.003%
          HB2   GLN   17 - HN    LYS+ 112  26.63 +/- 4.21   0.275% *  0.2557% (0.80   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    LYS+ 112  26.88 +/- 3.15   0.218% *  0.2557% (0.80   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    LYS+ 112  27.84 +/- 3.30   0.211% *  0.2557% (0.80   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    LYS+ 112  26.18 +/- 2.97   0.240% *  0.1555% (0.49   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    LYS+ 112  21.86 +/- 3.77   0.583% *  0.0559% (0.18   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    LYS+ 112  28.07 +/- 1.61   0.179% *  0.1808% (0.57   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    LYS+ 112  29.82 +/- 3.89   0.166% *  0.1937% (0.61   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    LYS+ 112  25.59 +/- 2.90   0.266% *  0.0711% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 677 (1.39, 8.49, 124.18 ppm):
    13 chemical-shift based assignments, quality = 0.764, support = 5.73, residual support = 238.1:
      O   HB2   LYS+ 112 - HN    LYS+ 112   3.06 +/- 0.55  70.663% * 98.9690% (0.76  10.0   5.73 238.14) =  99.988%  kept
          HB3   PRO   93 - HN    LYS+ 112   8.44 +/- 3.99  25.555% *  0.0200% (0.15   1.0   0.02   0.02) =   0.007%
          HG3   LYS+  65 - HN    LYS+ 112  19.17 +/- 2.64   0.506% *  0.1195% (0.92   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    LYS+ 112  15.23 +/- 1.49   0.679% *  0.0838% (0.65   1.0   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+ 112  17.43 +/- 2.48   0.456% *  0.1195% (0.92   1.0   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LYS+ 112  20.88 +/- 4.00   0.312% *  0.1123% (0.87   1.0   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LYS+ 112  18.67 +/- 1.65   0.346% *  0.0890% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+ 112  16.83 +/- 1.73   0.525% *  0.0486% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 112  20.11 +/- 3.52   0.342% *  0.0532% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 112  25.82 +/- 1.44   0.140% *  0.1082% (0.84   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 112  29.27 +/- 3.05   0.105% *  0.1250% (0.97   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 112  30.41 +/- 3.66   0.098% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 112  22.60 +/- 4.22   0.272% *  0.0323% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.09 A, kept.
 
    Peak 678 (1.18, 8.49, 124.18 ppm):
    6 chemical-shift based assignments, quality = 0.87, support = 6.04, residual support = 238.1:
      O   HB3   LYS+ 112 - HN    LYS+ 112   2.46 +/- 0.48  65.947% * 84.2048% (0.90  10.0   5.99 238.14) =  93.391%  kept
          HD2   LYS+ 112 - HN    LYS+ 112   4.36 +/- 1.13  25.173% * 15.5997% (0.49   1.0   6.83 238.14) =   6.604%  kept
          QG2   VAL  107 - HN    LYS+ 112   7.29 +/- 2.26   7.175% *  0.0186% (0.20   1.0   0.02   0.02) =   0.002%
          QG2   THR   94 - HN    LYS+ 112  10.55 +/- 1.81   1.364% *  0.0814% (0.87   1.0   0.02   0.02) =   0.002%
          HG13  ILE  103 - HN    LYS+ 112  19.26 +/- 1.72   0.189% *  0.0569% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 112  23.85 +/- 4.80   0.152% *  0.0386% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 680 (0.38, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 6.23, residual support = 237.8:
          HG2   LYS+ 112 - HN    LYS+ 112   3.94 +/- 0.54  82.804% * 98.1769% (0.34   6.23 238.14) =  99.855%  kept
          QB    ALA   47 - HN    LYS+ 112  11.17 +/- 3.10  11.667% *  0.7394% (0.80   0.02   0.02) =   0.106%  kept
          QG1   VAL   42 - HN    LYS+ 112  12.82 +/- 2.07   3.695% *  0.6343% (0.69   0.02   0.02) =   0.029%
          QB    ALA   64 - HN    LYS+ 112  15.12 +/- 1.79   1.833% *  0.4494% (0.49   0.02   0.02) =   0.010%
    Distance limit 4.30 A violated in 0 structures by 0.03 A, kept.
 
    Peak 681 (0.80, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 1.72, residual support = 7.9:
          QD1   ILE   56 - HN    LYS+ 112   6.57 +/- 2.77  62.627% * 96.8610% (0.76   1.72   7.93) =  99.552%  kept
          HG3   LYS+ 121 - HN    LYS+ 112  16.87 +/- 1.27   7.231% *  1.4195% (0.97   0.02   0.02) =   0.168%  kept
          QD2   LEU  123 - HN    LYS+ 112  13.25 +/- 1.64  18.629% *  0.5017% (0.34   0.02   0.02) =   0.153%  kept
          QD2   LEU   73 - HN    LYS+ 112  17.22 +/- 3.86   8.834% *  0.7160% (0.49   0.02   0.02) =   0.104%  kept
          HG    LEU   31 - HN    LYS+ 112  25.15 +/- 3.64   2.680% *  0.5017% (0.34   0.02   0.02) =   0.022%
    Distance limit 4.04 A violated in 10 structures by 2.35 A, kept.
 
    Peak 682 (1.06, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.92, residual support = 238.1:
          HG3   LYS+ 112 - HN    LYS+ 112   3.44 +/- 0.49  92.515% * 99.2154% (0.87   5.92 238.14) =  99.987%  kept
          HG    LEU   63 - HN    LYS+ 112  14.87 +/- 3.22   1.877% *  0.3786% (0.98   0.02   0.02) =   0.008%
          QG2   VAL  108 - HN    LYS+ 112   9.69 +/- 0.77   4.957% *  0.0596% (0.15   0.02   0.02) =   0.003%
          QG2   VAL   24 - HN    LYS+ 112  21.09 +/- 3.21   0.651% *  0.3464% (0.90   0.02   0.02) =   0.002%
    Distance limit 3.46 A violated in 0 structures by 0.18 A, kept.
 
    Peak 683 (3.46, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 5.23, residual support = 16.1:
      O   HA    LYS+ 112 - HN    ASP- 113   3.57 +/- 0.06  95.676% * 99.8622% (0.74  10.0   5.23  16.12) =  99.998%  kept
          HB    THR   46 - HN    ASP- 113  14.89 +/- 3.79   2.916% *  0.0393% (0.29   1.0   0.02   0.02) =   0.001%
          HB2   HIS  122 - HN    ASP- 113  16.57 +/- 1.14   1.015% *  0.0698% (0.52   1.0   0.02   0.02) =   0.001%
          HB2   HIS   22 - HN    ASP- 113  26.70 +/- 5.51   0.393% *  0.0287% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 684 (2.69, 8.43, 117.70 ppm):
    1 chemical-shift based assignment, quality = 0.823, support = 3.48, residual support = 14.4:
      O   QB    ASP- 113 - HN    ASP- 113   2.17 +/- 0.14 100.000% *100.0000% (0.82  10.0   3.48  14.45) = 100.000%  kept
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 685 (2.33, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.264, support = 3.21, residual support = 25.2:
          QG    GLU- 114 - HN    ASP- 113   4.58 +/- 0.56  74.412% * 94.2280% (0.26   3.22  25.30) =  99.579%  kept
          HG2   PRO   52 - HN    ASP- 113  12.20 +/- 3.80  15.674% *  1.4472% (0.65   0.02   0.02) =   0.322%  kept
          HB2   PRO   58 - HN    ASP- 113  13.61 +/- 1.69   3.713% *  0.9217% (0.41   0.02   0.02) =   0.049%
          HG2   MET   92 - HN    ASP- 113  14.51 +/- 3.71   4.751% *  0.4722% (0.21   0.02   0.02) =   0.032%
          HB2   GLU-  79 - HN    ASP- 113  23.28 +/- 4.25   0.929% *  0.7107% (0.32   0.02   0.02) =   0.009%
          HG3   GLU-  25 - HN    ASP- 113  31.90 +/- 4.47   0.304% *  1.7481% (0.79   0.02   0.02) =   0.008%
          HG3   GLU-  36 - HN    ASP- 113  33.73 +/- 3.11   0.217% *  0.4722% (0.21   0.02   0.02) =   0.001%
    Distance limit 4.76 A violated in 0 structures by 0.07 A, kept.
 
    Peak 686 (2.02, 8.43, 117.70 ppm):
    12 chemical-shift based assignments, quality = 0.718, support = 2.52, residual support = 10.7:
          HB2   LYS+ 111 - HN    ASP- 113   3.95 +/- 0.54  57.185% * 54.7754% (0.85   2.18   3.61) =  67.137%  kept
          QB    GLU- 114 - HN    ASP- 113   4.72 +/- 0.33  36.245% * 42.2675% (0.45   3.20  25.30) =  32.836%  kept
          HB    ILE  119 - HN    ASP- 113   9.80 +/- 0.76   4.125% *  0.1254% (0.21   0.02   0.02) =   0.011%
          HB3   PRO   68 - HN    ASP- 113  22.93 +/- 4.09   0.481% *  0.4509% (0.76   0.02   0.02) =   0.005%
          HB2   GLN   17 - HN    ASP- 113  26.96 +/- 4.61   0.245% *  0.4928% (0.84   0.02   0.02) =   0.003%
          HG2   PRO   68 - HN    ASP- 113  21.79 +/- 4.28   0.548% *  0.1887% (0.32   0.02   0.02) =   0.002%
          QB    GLU-  15 - HN    ASP- 113  28.03 +/- 3.65   0.190% *  0.4928% (0.84   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HN    ASP- 113  30.78 +/- 4.03   0.153% *  0.4361% (0.74   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    ASP- 113  26.13 +/- 3.22   0.240% *  0.2254% (0.38   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    ASP- 113  27.53 +/- 3.20   0.193% *  0.2645% (0.45   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    ASP- 113  28.23 +/- 2.11   0.178% *  0.1552% (0.26   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    ASP- 113  26.80 +/- 3.01   0.217% *  0.1254% (0.21   0.02   0.02) =   0.001%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 687 (1.39, 8.43, 117.70 ppm):
    13 chemical-shift based assignments, quality = 0.651, support = 5.95, residual support = 16.1:
          HB2   LYS+ 112 - HN    ASP- 113   3.63 +/- 0.36  78.619% * 96.6167% (0.65   5.95  16.12) =  99.962%  kept
          HB3   PRO   93 - HN    ASP- 113   9.96 +/- 3.69  14.508% *  0.0656% (0.13   0.02   0.02) =   0.013%
          HB    VAL   42 - HN    ASP- 113  17.83 +/- 2.58   0.893% *  0.3923% (0.79   0.02   0.02) =   0.005%
          HG3   LYS+ 106 - HN    ASP- 113  15.65 +/- 1.71   1.152% *  0.2749% (0.55   0.02   0.02) =   0.004%
          HG3   LYS+  65 - HN    ASP- 113  19.63 +/- 2.77   0.709% *  0.3923% (0.79   0.02   0.02) =   0.004%
          HB3   LEU   73 - HN    ASP- 113  21.69 +/- 4.16   0.682% *  0.3686% (0.74   0.02   0.02) =   0.003%
          QB    LEU   98 - HN    ASP- 113  19.05 +/- 1.85   0.640% *  0.2919% (0.59   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HN    ASP- 113  15.81 +/- 1.72   1.171% *  0.1595% (0.32   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HN    ASP- 113  20.95 +/- 3.79   0.575% *  0.1747% (0.35   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    ASP- 113  26.02 +/- 1.75   0.233% *  0.3550% (0.71   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    ASP- 113  30.61 +/- 4.06   0.206% *  0.3923% (0.79   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    ASP- 113  29.73 +/- 2.94   0.191% *  0.4101% (0.82   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ASP- 113  24.07 +/- 4.31   0.421% *  0.1060% (0.21   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.18 A, kept.
 
    Peak 688 (1.18, 8.43, 117.70 ppm):
    6 chemical-shift based assignments, quality = 0.686, support = 4.96, residual support = 16.1:
          HB3   LYS+ 112 - HN    ASP- 113   3.37 +/- 0.52  61.500% * 59.6532% (0.76   4.79  16.12) =  77.790%  kept
          HD2   LYS+ 112 - HN    ASP- 113   5.33 +/- 1.06  27.095% * 38.0899% (0.41   5.63  16.12) =  21.883%  kept
          QG2   VAL  107 - HN    ASP- 113   7.81 +/- 2.22   8.545% *  1.7330% (0.17   0.63   0.02) =   0.314%  kept
          QG2   THR   94 - HN    ASP- 113  11.57 +/- 1.65   2.164% *  0.2411% (0.74   0.02   0.02) =   0.011%
          HG13  ILE  103 - HN    ASP- 113  19.73 +/- 1.88   0.362% *  0.1686% (0.52   0.02   0.02) =   0.001%
          HB3   LEU   71 - HN    ASP- 113  24.17 +/- 4.86   0.334% *  0.1143% (0.35   0.02   0.02) =   0.001%
    Distance limit 3.94 A violated in 0 structures by 0.01 A, kept.
 
    Peak 689 (4.37, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.64, residual support = 25.3:
      O   HA    ASP- 113 - HN    GLU- 114   3.59 +/- 0.05  90.167% * 99.6702% (1.00  10.0   3.64  25.30) =  99.994%  kept
          HA    ILE   56 - HN    GLU- 114  10.64 +/- 1.84   4.745% *  0.0606% (0.61   1.0   0.02   0.02) =   0.003%
          HA    PHE   59 - HN    GLU- 114  11.93 +/- 1.13   2.843% *  0.0606% (0.61   1.0   0.02   0.02) =   0.002%
          HA    LEU  123 - HN    GLU- 114  16.16 +/- 0.77   1.007% *  0.0486% (0.49   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLU- 114  22.04 +/- 2.12   0.422% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU- 114  28.07 +/- 3.30   0.224% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU- 114  20.73 +/- 2.75   0.591% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 690 (2.68, 8.16, 121.97 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.64, residual support = 25.3:
          QB    ASP- 113 - HN    GLU- 114   2.73 +/- 0.38  98.787% * 99.8733% (0.97   3.64  25.30) =  99.998%  kept
          HB2   ASP-  62 - HN    GLU- 114  14.22 +/- 1.97   1.213% *  0.1267% (0.22   0.02   0.02) =   0.002%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 691 (2.32, 8.16, 121.97 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.46, residual support = 43.0:
          QG    GLU- 114 - HN    GLU- 114   2.54 +/- 0.56  95.385% * 97.7601% (0.84   4.47  43.00) =  99.976%  kept
          HG2   PRO   52 - HN    GLU- 114  12.82 +/- 3.89   3.216% *  0.5138% (0.98   0.02   0.02) =   0.018%
          HG2   MET   92 - HN    GLU- 114  14.50 +/- 3.14   0.987% *  0.4006% (0.76   0.02   0.02) =   0.004%
          HB2   GLU-  79 - HN    GLU- 114  22.71 +/- 4.07   0.234% *  0.4701% (0.90   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HN    GLU- 114  30.94 +/- 4.41   0.108% *  0.4547% (0.87   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    GLU- 114  32.34 +/- 3.13   0.070% *  0.4006% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.02 A, kept.
 
    Peak 692 (2.01, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.84, support = 4.2, residual support = 39.8:
      O   QB    GLU- 114 - HN    GLU- 114   2.35 +/- 0.20  67.374% * 84.3018% (0.84  10.0   4.28  43.00) =  92.204%  kept
          HB2   LYS+ 111 - HN    GLU- 114   3.61 +/- 1.05  31.645% * 15.1734% (0.90   1.0   3.35   1.77) =   7.795%  kept
          HG2   PRO   68 - HN    GLU- 114  21.24 +/- 4.48   0.337% *  0.0693% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU- 114  22.48 +/- 4.14   0.294% *  0.0612% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU- 114  25.92 +/- 4.69   0.097% *  0.0955% (0.95   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU- 114  24.99 +/- 3.31   0.085% *  0.0771% (0.76   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU- 114  26.95 +/- 3.71   0.064% *  0.0955% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU- 114  29.81 +/- 4.02   0.043% *  0.1009% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLU- 114  26.35 +/- 3.10   0.062% *  0.0252% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 693 (1.52, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.921, support = 0.925, residual support = 1.77:
          HB3   LYS+ 111 - HN    GLU- 114   3.80 +/- 0.65  84.258% * 89.6135% (0.92   0.93   1.77) =  99.688%  kept
          QD    LYS+  66 - HN    GLU- 114  17.78 +/- 4.48   5.182% *  1.6747% (0.80   0.02   0.02) =   0.115%  kept
          HB3   LYS+ 121 - HN    GLU- 114  12.62 +/- 0.86   2.903% *  2.0500% (0.98   0.02   0.02) =   0.079%
          HD3   LYS+  74 - HN    GLU- 114  19.59 +/- 4.94   1.693% *  1.8756% (0.90   0.02   0.02) =   0.042%
          HD2   LYS+ 121 - HN    GLU- 114  13.22 +/- 1.93   3.166% *  0.8598% (0.41   0.02   0.02) =   0.036%
          HG    LEU  104 - HN    GLU- 114  19.12 +/- 2.73   0.882% *  2.0500% (0.98   0.02   0.02) =   0.024%
          HG2   LYS+  65 - HN    GLU- 114  19.38 +/- 3.00   1.141% *  0.7134% (0.34   0.02   0.02) =   0.011%
          QG2   THR   26 - HN    GLU- 114  23.39 +/- 2.96   0.523% *  0.5815% (0.28   0.02   0.02) =   0.004%
          HG2   LYS+  33 - HN    GLU- 114  28.54 +/- 2.41   0.251% *  0.5815% (0.28   0.02   0.02) =   0.002%
    Distance limit 4.23 A violated in 0 structures by 0.07 A, kept.
 
    Peak 694 (1.10, 8.16, 121.97 ppm):
    5 chemical-shift based assignments, quality = 0.925, support = 2.65, residual support = 3.67:
          HD3   LYS+ 112 - HN    GLU- 114   5.96 +/- 1.22  42.522% * 63.8999% (0.98   3.17   3.58) =  65.438%  kept
          QG1   VAL  107 - HN    GLU- 114   5.99 +/- 1.92  47.559% * 29.0379% (0.84   1.69   3.98) =  33.259%  kept
          HG13  ILE  119 - HN    GLU- 114   9.74 +/- 1.06   8.280% *  6.4669% (0.41   0.77   0.12) =   1.290%  kept
          QG1   VAL   24 - HN    GLU- 114  21.55 +/- 3.69   1.037% *  0.4110% (1.00   0.02   0.02) =   0.010%
          HB3   LEU   31 - HN    GLU- 114  25.13 +/- 3.57   0.602% *  0.1843% (0.45   0.02   0.02) =   0.003%
    Distance limit 4.86 A violated in 0 structures by 0.10 A, kept.
 
    Peak 695 (3.82, 8.85, 104.25 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 3.86, residual support = 14.9:
      O   HA    GLU- 100 - HN    GLY  101   3.26 +/- 0.50  97.133% * 99.4046% (0.57  10.0   3.86  14.94) =  99.997%  kept
          HA    GLN   30 - HN    GLY  101  16.08 +/- 4.24   1.313% *  0.1065% (0.61   1.0   0.02   0.02) =   0.001%
          HA    VAL   83 - HN    GLY  101  19.02 +/- 5.24   0.913% *  0.1065% (0.61   1.0   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    GLY  101  26.31 +/- 3.28   0.237% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLY  101  25.29 +/- 2.45   0.238% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLY  101  29.83 +/- 3.36   0.167% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 696 (3.54, 8.85, 104.25 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 2.86, residual support = 15.4:
      O   HA2   GLY  101 - HN    GLY  101   2.74 +/- 0.24  98.389% * 99.9154% (0.53  10.0   2.86  15.43) =  99.999%  kept
          HB2   TRP   27 - HN    GLY  101  16.94 +/- 4.25   1.460% *  0.0423% (0.22   1.0   0.02   0.02) =   0.001%
          HD2   PRO   93 - HN    GLY  101  24.60 +/- 1.15   0.150% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 697 (3.82, 10.11, 128.03 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 6.37, residual support = 75.4:
      O   HA    GLU- 100 - HN    GLU- 100   2.34 +/- 0.20  98.118% * 99.4046% (0.57  10.0   6.37  75.43) =  99.998%  kept
          HA    GLN   30 - HN    GLU- 100  14.08 +/- 4.57   1.287% *  0.1065% (0.61   1.0   0.02   0.02) =   0.001%
          HA    VAL   83 - HN    GLU- 100  19.12 +/- 4.79   0.325% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLU- 100  25.35 +/- 2.78   0.092% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLU- 100  24.03 +/- 2.63   0.122% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLU- 100  29.10 +/- 2.55   0.056% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 698 (2.10, 10.11, 128.03 ppm):
    8 chemical-shift based assignments, quality = 0.686, support = 4.23, residual support = 75.3:
          HG3   GLU- 100 - HN    GLU- 100   3.28 +/- 0.64  79.781% * 97.4015% (0.69   4.24  75.43) =  99.858%  kept
          HB    VAL   24 - HN    GLU- 100  17.61 +/- 5.21  11.273% *  0.6330% (0.95   0.02   0.02) =   0.092%
          QB    GLN   32 - HN    GLU- 100  12.45 +/- 4.95   4.035% *  0.6559% (0.98   0.02   0.02) =   0.034%
          HB2   PRO   68 - HN    GLU- 100  19.83 +/- 6.58   0.995% *  0.6559% (0.98   0.02   0.02) =   0.008%
          HB2   GLU-  14 - HN    GLU- 100  20.03 +/- 6.28   2.594% *  0.1490% (0.22   0.02   0.02) =   0.005%
          HG2   MET   11 - HN    GLU- 100  25.67 +/- 7.27   0.878% *  0.1324% (0.20   0.02   0.02) =   0.001%
          HG2   PRO   58 - HN    GLU- 100  24.18 +/- 3.25   0.275% *  0.1861% (0.28   0.02   0.02) =   0.001%
          HG3   PRO   52 - HN    GLU- 100  28.88 +/- 2.60   0.171% *  0.1861% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 699 (1.76, 10.11, 128.03 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 5.57, residual support = 38.5:
          HB2   LYS+  99 - HN    GLU- 100   4.28 +/- 0.17  86.851% * 99.1199% (0.73   5.58  38.54) =  99.946%  kept
          QD    LYS+  81 - HN    GLU- 100  22.52 +/- 5.53   8.096% *  0.3742% (0.76   0.02   0.02) =   0.035%
          HB    VAL   43 - HN    GLU- 100  13.23 +/- 2.42   3.711% *  0.4090% (0.84   0.02   0.02) =   0.018%
          HB    ILE   89 - HN    GLU- 100  18.49 +/- 2.56   1.342% *  0.0969% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 700 (1.32, 10.11, 128.03 ppm):
    9 chemical-shift based assignments, quality = 0.896, support = 6.33, residual support = 38.5:
          HG2   LYS+  99 - HN    GLU- 100   2.99 +/- 0.73  70.512% * 98.3818% (0.90   6.34  38.54) =  99.895%  kept
          HG2   LYS+  38 - HN    GLU- 100  12.64 +/- 8.57  11.493% *  0.3342% (0.97   0.02   0.02) =   0.055%
          HB2   LEU   31 - HN    GLU- 100  11.98 +/- 5.89  13.107% *  0.1961% (0.57   0.02   0.02) =   0.037%
          QG2   THR   77 - HN    GLU- 100  16.51 +/- 3.31   1.390% *  0.2100% (0.61   0.02   0.02) =   0.004%
          QB    ALA   88 - HN    GLU- 100  16.63 +/- 2.16   0.819% *  0.3276% (0.95   0.02   0.02) =   0.004%
          HB3   LEU   80 - HN    GLU- 100  19.80 +/- 5.49   0.870% *  0.1424% (0.41   0.02   0.02) =   0.002%
          HB2   LEU   63 - HN    GLU- 100  17.60 +/- 3.40   0.836% *  0.1069% (0.31   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    GLU- 100  17.11 +/- 2.08   0.788% *  0.0771% (0.22   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    GLU- 100  25.46 +/- 2.65   0.185% *  0.2240% (0.65   0.02   0.02) =   0.001%
    Distance limit 4.28 A violated in 0 structures by 0.03 A, kept.
 
    Peak 702 (1.77, 8.33, 118.17 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.82, residual support = 175.1:
      O   HB2   LYS+  99 - HN    LYS+  99   3.12 +/- 0.31  88.780% * 99.7262% (0.99  10.0   4.82 175.13) =  99.994%  kept
          HB    VAL   43 - HN    LYS+  99  11.34 +/- 2.67   2.879% *  0.0952% (0.95   1.0   0.02   0.02) =   0.003%
          QD    LYS+  81 - HN    LYS+  99  21.28 +/- 4.82   1.392% *  0.0986% (0.98   1.0   0.02   0.02) =   0.002%
          HB3   GLN   17 - HN    LYS+  99  19.12 +/- 5.63   2.229% *  0.0570% (0.57   1.0   0.02   0.02) =   0.001%
          HB    VAL   43 - HN    GLN   30  12.91 +/- 2.04   1.488% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   30  16.24 +/- 3.85   1.173% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    GLN   30  14.10 +/- 2.14   1.487% *  0.0037% (0.04   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   30  19.53 +/- 4.44   0.573% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 703 (1.41, 8.33, 118.17 ppm):
    24 chemical-shift based assignments, quality = 0.566, support = 4.0, residual support = 18.5:
          QB    LEU   98 - HN    LYS+  99   3.22 +/- 0.33  62.827% * 93.7956% (0.57   4.00  18.55) =  99.894%  kept
          HD3   LYS+ 121 - HN    LYS+  99  16.53 +/- 8.14   1.741% *  0.7182% (0.87   0.02   0.02) =   0.021%
          HB3   LYS+  74 - HN    LYS+  99  17.36 +/- 3.45   1.623% *  0.6916% (0.84   0.02   0.02) =   0.019%
          QB    ALA   61 - HN    LYS+  99  16.16 +/- 3.01   1.203% *  0.5022% (0.61   0.02   0.02) =   0.010%
          HG12  ILE   19 - HN    LYS+  99  16.64 +/- 3.53   0.718% *  0.7426% (0.90   0.02   0.02) =   0.009%
          HB2   LEU   80 - HN    LYS+  99  18.91 +/- 4.48   0.656% *  0.7991% (0.97   0.02   0.02) =   0.009%
          QB    ALA   12 - HN    LYS+  99  21.10 +/- 5.47   1.351% *  0.2556% (0.31   0.02   0.02) =   0.006%
          HG    LEU   80 - HN    LYS+  99  19.64 +/- 4.73   0.521% *  0.6630% (0.80   0.02   0.02) =   0.006%
          QB    ALA  110 - HN    LYS+  99  17.59 +/- 1.57   0.442% *  0.6916% (0.84   0.02   0.02) =   0.005%
          HB3   LEU   67 - HN    LYS+  99  17.39 +/- 4.68   0.778% *  0.3712% (0.45   0.02   0.02) =   0.005%
          HG12  ILE   19 - HN    GLN   30   8.77 +/- 1.28   3.839% *  0.0488% (0.06   0.02  14.75) =   0.003%
          HG    LEU   73 - HN    LYS+  99  14.75 +/- 3.63   1.059% *  0.1278% (0.15   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    LYS+  99  19.00 +/- 3.58   0.442% *  0.2302% (0.28   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    GLN   30  15.67 +/- 6.13   2.094% *  0.0436% (0.05   0.02   0.02) =   0.002%
          HG    LEU   73 - HN    GLN   30   7.89 +/- 3.23   9.267% *  0.0084% (0.01   0.02   5.67) =   0.001%
          HB3   LYS+  74 - HN    GLN   30  11.83 +/- 1.61   1.699% *  0.0454% (0.05   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    GLN   30  15.75 +/- 5.00   1.395% *  0.0525% (0.06   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    GLN   30  12.91 +/- 3.31   1.575% *  0.0308% (0.04   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    GLN   30  17.88 +/- 3.88   2.692% *  0.0151% (0.02   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    GLN   30  14.51 +/- 2.31   0.978% *  0.0330% (0.04   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    GLN   30  15.09 +/- 3.33   1.745% *  0.0168% (0.02   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN   30  15.79 +/- 2.35   0.816% *  0.0244% (0.03   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLN   30  22.66 +/- 4.94   0.289% *  0.0472% (0.06   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLN   30  22.00 +/- 2.72   0.252% *  0.0454% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.01 A, kept.
 
    Peak 704 (0.72, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.747, support = 3.63, residual support = 18.6:
          QD2   LEU  104 - HN    LYS+  99   3.04 +/- 0.97  43.815% * 50.0968% (0.80   3.43  18.67) =  54.079%  kept
          QD1   LEU   98 - HN    LYS+  99   3.51 +/- 1.29  38.262% * 48.4670% (0.69   3.87  18.55) =  45.689%  kept
          QD1   ILE   19 - HN    GLN   30   6.64 +/- 1.22   9.457% *  0.9582% (0.04   1.24  14.75) =   0.223%  kept
          QD1   ILE   19 - HN    LYS+  99  14.23 +/- 3.04   0.685% *  0.2359% (0.65   0.02   0.02) =   0.004%
          QG2   THR   46 - HN    LYS+  99  15.73 +/- 2.58   0.791% *  0.1125% (0.31   0.02   0.02) =   0.002%
          QG2   VAL   18 - HN    LYS+  99  14.79 +/- 3.63   0.575% *  0.0812% (0.22   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    GLN   30  14.31 +/- 3.38   1.589% *  0.0192% (0.05   0.02   0.02) =   0.001%
          QD1   LEU   98 - HN    GLN   30  12.60 +/- 3.31   1.524% *  0.0165% (0.05   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    GLN   30  15.13 +/- 3.35   1.735% *  0.0074% (0.02   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    GLN   30  10.62 +/- 2.27   1.567% *  0.0053% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 706 (0.59, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.846, support = 4.25, residual support = 18.3:
          QD1   LEU  104 - HN    LYS+  99   3.95 +/- 0.72  41.880% * 92.8415% (0.87   4.31  18.67) =  97.417%  kept
          QD1   LEU   73 - HN    GLN   30   5.77 +/- 2.85  26.740% *  3.4575% (0.06   2.44   5.67) =   2.316%  kept
          QD2   LEU   80 - HN    GLN   30  12.80 +/- 5.81   5.295% *  0.8257% (0.07   0.51   0.02) =   0.110%  kept
          QD1   LEU   63 - HN    GLN   30  14.38 +/- 3.25   3.993% *  0.5986% (0.06   0.42   0.02) =   0.060%
          QD1   LEU   73 - HN    LYS+  99  12.30 +/- 3.20   2.551% *  0.4311% (0.87   0.02   0.02) =   0.028%
          QD1   LEU   63 - HN    LYS+  99  13.45 +/- 3.13   1.775% *  0.4311% (0.87   0.02   0.02) =   0.019%
          QG1   VAL   83 - HN    LYS+  99  14.13 +/- 4.13   3.315% *  0.2043% (0.41   0.02   0.02) =   0.017%
          QD2   LEU   80 - HN    LYS+  99  16.62 +/- 4.24   0.971% *  0.4926% (0.99   0.02   0.02) =   0.012%
          QD2   LEU  115 - HN    LYS+  99  15.80 +/- 2.47   0.819% *  0.4959% (1.00   0.02   0.02) =   0.010%
          QD2   LEU   63 - HN    LYS+  99  13.47 +/- 3.67   2.081% *  0.1382% (0.28   0.02   0.02) =   0.007%
          QD1   LEU  104 - HN    GLN   30  14.12 +/- 3.30   2.438% *  0.0283% (0.06   0.02   0.02) =   0.002%
          QG1   VAL   83 - HN    GLN   30  12.45 +/- 4.58   3.276% *  0.0134% (0.03   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    GLN   30  14.65 +/- 3.42   4.354% *  0.0091% (0.02   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    GLN   30  19.30 +/- 3.00   0.511% *  0.0326% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.01 A, kept.
 
    Peak 707 (2.38, 9.69, 125.68 ppm):
    6 chemical-shift based assignments, quality = 0.646, support = 3.94, residual support = 10.6:
          HB3   PHE   97 - HN    LEU   98   3.90 +/- 0.48  77.552% * 97.4930% (0.65   3.95  10.63) =  99.820%  kept
          QG    GLU-  79 - HN    LEU   98  15.63 +/- 4.40  11.196% *  0.6381% (0.84   0.02   0.02) =   0.094%
          HB2   GLU- 100 - HN    LEU   98   9.25 +/- 0.72   7.103% *  0.6851% (0.90   0.02   0.02) =   0.064%
          QG    GLN   32 - HN    LEU   98  15.04 +/- 3.31   1.873% *  0.4019% (0.53   0.02   0.02) =   0.010%
          HB2   GLN  116 - HN    LEU   98  18.51 +/- 3.00   1.026% *  0.6117% (0.80   0.02   0.02) =   0.008%
          HB2   PRO   58 - HN    LEU   98  18.28 +/- 3.37   1.250% *  0.1701% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 708 (1.84, 9.69, 125.68 ppm):
    14 chemical-shift based assignments, quality = 0.698, support = 3.43, residual support = 27.6:
          HG12  ILE  103 - HN    LEU   98   4.70 +/- 0.70  29.324% * 37.8853% (0.80   3.55  33.40) =  49.618%  kept
          HB    VAL   41 - HN    LEU   98   7.40 +/- 5.00  22.333% * 33.7276% (0.65   3.92  20.04) =  33.641%  kept
          HB    ILE  103 - HN    LEU   98   6.39 +/- 1.72  16.589% * 16.3211% (0.53   2.33  33.40) =  12.092%  kept
          HB3   ASP- 105 - HN    LEU   98   6.80 +/- 0.53   9.746% *  9.7076% (0.45   1.63   6.15) =   4.226%  kept
          QB    LYS+ 106 - HN    LEU   98   7.67 +/- 0.79   7.005% *  1.1536% (0.20   0.44   0.02) =   0.361%  kept
          QB    LYS+  81 - HN    LEU   98  17.28 +/- 4.27   8.240% *  0.0593% (0.22   0.02   0.02) =   0.022%
          HG3   PRO   68 - HN    LEU   98  16.67 +/- 5.47   1.785% *  0.1507% (0.57   0.02   0.02) =   0.012%
          HG    LEU  123 - HN    LEU   98  19.51 +/- 4.84   0.631% *  0.2609% (0.98   0.02   0.02) =   0.007%
          QB    LYS+  66 - HN    LEU   98  15.26 +/- 3.46   1.344% *  0.1193% (0.45   0.02   0.02) =   0.007%
          QB    LYS+  33 - HN    LEU   98  14.28 +/- 2.70   1.300% *  0.0908% (0.34   0.02   0.02) =   0.005%
          HB3   PRO   52 - HN    LEU   98  22.54 +/- 2.22   0.284% *  0.2609% (0.98   0.02   0.02) =   0.003%
          HB3   GLN   90 - HN    LEU   98  17.76 +/- 1.56   0.542% *  0.0740% (0.28   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    LEU   98  22.62 +/- 3.05   0.286% *  0.1296% (0.49   0.02   0.02) =   0.002%
          HG2   PRO   93 - HN    LEU   98  17.14 +/- 1.17   0.590% *  0.0593% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.11 A violated in 0 structures by 0.13 A, kept.
 
    Peak 709 (1.41, 9.69, 125.68 ppm):
    13 chemical-shift based assignments, quality = 0.833, support = 4.82, residual support = 76.3:
      O   QB    LEU   98 - HN    LEU   98   2.73 +/- 0.34  71.026% * 97.4052% (0.84  10.0   4.83  76.63) =  99.587%  kept
          HB    VAL   42 - HN    LEU   98   7.55 +/- 4.41  14.886% *  1.8676% (0.18   1.0   1.83   0.37) =   0.400%  kept
          HD3   LYS+ 121 - HN    LEU   98  14.68 +/- 7.18   2.126% *  0.1164% (1.00   1.0   0.02   0.02) =   0.004%
          QB    ALA   61 - HN    LEU   98  12.94 +/- 3.00   5.947% *  0.0398% (0.34   1.0   0.02   0.02) =   0.003%
          HB3   LYS+  74 - HN    LEU   98  13.83 +/- 3.35   1.329% *  0.1156% (0.99   1.0   0.02   0.02) =   0.002%
          HB2   LEU   80 - HN    LEU   98  16.11 +/- 3.98   0.513% *  0.1143% (0.98   1.0   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    LEU   98  14.44 +/- 2.98   0.739% *  0.0754% (0.65   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    LEU   98  15.06 +/- 1.55   0.580% *  0.0660% (0.57   1.0   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    LEU   98  20.45 +/- 4.42   0.487% *  0.0660% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   98  14.14 +/- 4.32   0.974% *  0.0260% (0.22   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   98  16.99 +/- 4.30   0.406% *  0.0614% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   98  14.97 +/- 2.84   0.615% *  0.0260% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   98  17.82 +/- 3.02   0.373% *  0.0204% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 710 (0.99, 9.69, 125.68 ppm):
    7 chemical-shift based assignments, quality = 0.919, support = 3.91, residual support = 16.5:
          QD2   LEU   40 - HN    LEU   98   6.67 +/- 5.45  39.619% * 60.3996% (0.97   4.45   8.43) =  67.747%  kept
          QG2   ILE  103 - HN    LEU   98   4.69 +/- 0.81  30.238% * 35.0833% (0.87   2.87  33.40) =  30.033%  kept
          QD1   ILE  103 - HN    LEU   98   5.48 +/- 0.88  20.375% *  3.7531% (0.20   1.35  33.40) =   2.165%  kept
          QD1   LEU   67 - HN    LEU   98  11.19 +/- 3.47   2.617% *  0.2662% (0.95   0.02   0.02) =   0.020%
          HG3   LYS+  74 - HN    LEU   98  14.70 +/- 3.44   3.107% *  0.2151% (0.76   0.02   0.02) =   0.019%
          HB    VAL   75 - HN    LEU   98  11.90 +/- 2.00   2.005% *  0.2044% (0.73   0.02   0.02) =   0.012%
          QD2   LEU   71 - HN    LEU   98  12.18 +/- 3.38   2.039% *  0.0783% (0.28   0.02   0.02) =   0.005%
    Distance limit 4.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 711 (0.73, 9.69, 125.68 ppm):
    7 chemical-shift based assignments, quality = 0.621, support = 3.34, residual support = 45.1:
          QD1   LEU   98 - HN    LEU   98   3.85 +/- 0.91  32.257% * 43.1929% (0.38   4.69  76.63) =  51.276%  kept
          QD2   LEU  104 - HN    LEU   98   4.46 +/- 0.93  25.521% * 44.9216% (0.99   1.85  11.02) =  42.192%  kept
          QG1   VAL   41 - HN    LEU   98   7.35 +/- 4.40  15.905% *  9.8262% (0.15   2.60  20.04) =   5.752%  kept
          QG1   VAL   43 - HN    LEU   98   5.91 +/- 2.36  17.521% *  1.0703% (0.28   0.16   0.02) =   0.690%  kept
          QG2   VAL   18 - HN    LEU   98  12.25 +/- 3.35   6.047% *  0.2387% (0.49   0.02   0.02) =   0.053%
          QD1   ILE   19 - HN    LEU   98  12.53 +/- 2.60   1.282% *  0.4528% (0.92   0.02   0.02) =   0.021%
          QG2   THR   46 - HN    LEU   98  12.49 +/- 2.19   1.467% *  0.2975% (0.61   0.02   0.02) =   0.016%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 712 (0.58, 9.69, 125.68 ppm):
    9 chemical-shift based assignments, quality = 0.251, support = 3.88, residual support = 34.2:
          QG2   VAL   41 - HN    LEU   98   6.16 +/- 4.00  21.906% * 43.7190% (0.28   4.44  20.04) =  35.991%  kept
          QD1   LEU  104 - HN    LEU   98   4.20 +/- 1.36  31.537% * 28.0258% (0.31   2.57  11.02) =  33.215%  kept
          QD2   LEU   98 - HN    LEU   98   3.76 +/- 0.77  31.805% * 25.5123% (0.15   4.67  76.63) =  30.493%  kept
          QD1   LEU   73 - HN    LEU   98   9.85 +/- 2.93   4.609% *  0.6347% (0.90   0.02   0.02) =   0.110%  kept
          QD1   LEU   63 - HN    LEU   98  10.39 +/- 3.00   3.286% *  0.6347% (0.90   0.02   0.02) =   0.078%
          QD2   LEU   63 - HN    LEU   98  10.51 +/- 3.50   3.377% *  0.5912% (0.84   0.02   0.02) =   0.075%
          QD2   LEU   80 - HN    LEU   98  14.34 +/- 3.93   1.358% *  0.3724% (0.53   0.02   0.02) =   0.019%
          QD2   LEU  115 - HN    LEU   98  12.97 +/- 2.68   0.835% *  0.4007% (0.57   0.02   0.02) =   0.013%
          QD1   LEU   80 - HN    LEU   98  14.64 +/- 3.98   1.286% *  0.1092% (0.15   0.02   0.02) =   0.005%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 713 (2.99, 8.40, 123.79 ppm):
    7 chemical-shift based assignments, quality = 0.94, support = 4.76, residual support = 61.5:
      O   HB2   PHE   97 - HN    PHE   97   2.82 +/- 0.58  67.898% * 95.9598% (0.95  10.0   4.81  62.20) =  98.563%  kept
          QE    LYS+ 106 - HN    PHE   97   5.04 +/- 0.97  24.953% *  3.7938% (0.53   1.0   1.42  11.55) =   1.432%  kept
          QE    LYS+  99 - HN    PHE   97   9.49 +/- 0.73   2.294% *  0.0615% (0.61   1.0   0.02   0.02) =   0.002%
          HB3   TRP   27 - HN    PHE   97  14.69 +/- 2.61   1.140% *  0.0979% (0.97   1.0   0.02   0.02) =   0.002%
          HB3   PHE   60 - HN    PHE   97  13.38 +/- 3.11   1.253% *  0.0346% (0.34   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HN    PHE   97  10.10 +/- 0.98   2.011% *  0.0178% (0.18   1.0   0.02   0.02) =   0.001%
          QE    LYS+  38 - HN    PHE   97  16.60 +/- 3.15   0.450% *  0.0346% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 714 (2.62, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.59, residual support = 44.1:
          HG2   MET   96 - HN    PHE   97   2.99 +/- 0.48  99.456% * 99.8227% (0.98   5.59  44.15) =  99.999%  kept
          HB2   PRO   52 - HN    PHE   97  19.68 +/- 3.20   0.544% *  0.1773% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 715 (2.38, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.34, support = 5.13, residual support = 61.6:
      O   HB3   PHE   97 - HN    PHE   97   3.08 +/- 0.59  83.610% * 91.8524% (0.34  10.0   5.16  62.20) =  98.966%  kept
          HB    VAL  107 - HN    PHE   97   6.77 +/- 0.66  10.736% *  7.3596% (0.28   1.0   1.97   5.55) =   1.018%  kept
          QG    GLU-  79 - HN    PHE   97  16.06 +/- 3.50   2.508% *  0.2687% (1.00   1.0   0.02   0.02) =   0.009%
          HB2   GLU- 100 - HN    PHE   97  12.60 +/- 0.96   1.453% *  0.1633% (0.61   1.0   0.02   0.02) =   0.003%
          QG    GLN   32 - HN    PHE   97  17.76 +/- 3.01   0.772% *  0.2249% (0.84   1.0   0.02   0.02) =   0.002%
          HB2   GLN  116 - HN    PHE   97  15.76 +/- 2.78   0.921% *  0.1311% (0.49   1.0   0.02   0.02) =   0.002%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 716 (2.24, 8.40, 123.79 ppm):
    8 chemical-shift based assignments, quality = 0.669, support = 4.65, residual support = 52.9:
          HB2   ASP- 105 - HN    PHE   97   5.13 +/- 0.70  35.064% * 63.3143% (0.98   3.44  60.54) =  53.629%  kept
          HB2   MET   96 - HN    PHE   97   4.29 +/- 0.31  54.418% * 35.2333% (0.31   6.07  44.15) =  46.316%  kept
          HG2   GLU- 100 - HN    PHE   97  13.02 +/- 0.80   2.069% *  0.2874% (0.76   0.02   0.02) =   0.014%
          HG12  ILE  119 - HN    PHE   97  13.56 +/- 4.07   3.547% *  0.1546% (0.41   0.02   0.57) =   0.013%
          HB3   ASP-  76 - HN    PHE   97  16.46 +/- 3.23   1.590% *  0.3141% (0.84   0.02   0.02) =   0.012%
          HG3   MET   92 - HN    PHE   97  17.00 +/- 0.84   0.899% *  0.3372% (0.90   0.02   0.02) =   0.007%
          HB2   GLU-  29 - HN    PHE   97  19.82 +/- 2.48   0.650% *  0.3011% (0.80   0.02   0.02) =   0.005%
          QG    GLN   90 - HN    PHE   97  13.94 +/- 1.29   1.765% *  0.0580% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.30 A violated in 0 structures by 0.01 A, kept.
 
    Peak 717 (1.90, 8.40, 123.79 ppm):
    8 chemical-shift based assignments, quality = 0.154, support = 6.06, residual support = 44.1:
          HB3   MET   96 - HN    PHE   97   4.13 +/- 0.42  87.852% * 91.3828% (0.15   6.07  44.15) =  99.796%  kept
          HB3   PRO   58 - HN    PHE   97  17.63 +/- 3.70   3.276% *  1.9124% (0.98   0.02   0.02) =   0.078%
          HB2   MET   92 - HN    PHE   97  15.76 +/- 0.99   1.814% *  1.6924% (0.87   0.02   0.02) =   0.038%
          HB3   GLN   30 - HN    PHE   97  15.88 +/- 2.12   1.845% *  1.4168% (0.73   0.02   0.02) =   0.032%
          HB3   LYS+  38 - HN    PHE   97  18.03 +/- 4.46   1.680% *  1.0265% (0.53   0.02   0.02) =   0.021%
          HB    ILE   56 - HN    PHE   97  16.06 +/- 3.19   2.321% *  0.7323% (0.38   0.02   0.02) =   0.021%
          HB3   GLU-  14 - HN    PHE   97  23.81 +/- 3.57   0.883% *  0.7323% (0.38   0.02   0.02) =   0.008%
          HG3   MET   11 - HN    PHE   97  30.84 +/- 4.72   0.330% *  1.1046% (0.57   0.02   0.02) =   0.005%
    Distance limit 4.42 A violated in 0 structures by 0.02 A, kept.
 
    Peak 718 (1.00, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.617, support = 2.34, residual support = 3.22:
          QG2   ILE  103 - HN    PHE   97   3.35 +/- 0.49  77.162% * 63.3158% (0.61   2.43   3.41) =  93.011%  kept
          QD2   LEU   40 - HN    PHE   97   8.82 +/- 4.17  10.411% * 34.6178% (0.76   1.06   0.72) =   6.861%  kept
          QD1   LEU   67 - HN    PHE   97  12.19 +/- 3.09   4.680% *  0.6231% (0.73   0.02   0.02) =   0.056%
          HB    VAL   75 - HN    PHE   97  12.19 +/- 2.32   2.997% *  0.8117% (0.95   0.02   0.02) =   0.046%
          HG3   LYS+  74 - HN    PHE   97  15.28 +/- 3.59   1.724% *  0.4177% (0.49   0.02   0.02) =   0.014%
          QD1   ILE  119 - HN    PHE   97  12.47 +/- 2.99   3.026% *  0.2140% (0.25   0.02   0.57) =   0.012%
    Distance limit 4.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 719 (2.52, 9.32, 123.66 ppm):
    5 chemical-shift based assignments, quality = 0.236, support = 3.98, residual support = 11.9:
          HB3   PHE   95 - HN    MET   96   3.90 +/- 0.29  82.949% * 95.7081% (0.24   3.99  11.96) =  99.781%  kept
          HB3   TRP   87 - HN    MET   96   8.47 +/- 1.56  10.854% *  1.0891% (0.54   0.02   0.02) =   0.149%  kept
          HG3   GLN  116 - HN    MET   96  15.33 +/- 3.02   2.808% *  0.9364% (0.46   0.02   0.02) =   0.033%
          HG2   GLU-  25 - HN    MET   96  19.75 +/- 2.68   1.138% *  1.8857% (0.93   0.02   0.02) =   0.027%
          HG2   GLN  116 - HN    MET   96  14.81 +/- 2.85   2.252% *  0.3807% (0.19   0.02   0.02) =   0.011%
    Distance limit 4.18 A violated in 0 structures by 0.04 A, kept.
 
    Peak 720 (2.21, 9.32, 123.66 ppm):
    8 chemical-shift based assignments, quality = 0.944, support = 4.03, residual support = 115.4:
      O   HB2   MET   96 - HN    MET   96   2.62 +/- 0.26  89.697% * 99.6054% (0.94  10.0   4.03 115.40) =  99.994%  kept
          HB2   ASP- 105 - HN    MET   96   7.95 +/- 0.82   4.357% *  0.0448% (0.42   1.0   0.02   0.02) =   0.002%
          HB    VAL   70 - HN    MET   96  12.19 +/- 2.93   1.422% *  0.0725% (0.69   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - HN    MET   96  15.86 +/- 3.50   1.577% *  0.0646% (0.61   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HN    MET   96  13.13 +/- 2.92   1.309% *  0.0686% (0.65   1.0   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    MET   96  15.72 +/- 0.90   0.469% *  0.0763% (0.72   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    MET   96  19.26 +/- 2.76   0.405% *  0.0525% (0.50   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    MET   96  13.42 +/- 0.62   0.764% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 721 (1.94, 9.32, 123.66 ppm):
    7 chemical-shift based assignments, quality = 0.574, support = 3.97, residual support = 115.4:
      O   HB3   MET   96 - HN    MET   96   3.00 +/- 0.30  78.639% * 99.5022% (0.57  10.0   3.97 115.40) =  99.976%  kept
          HB    VAL   18 - HN    MET   96  13.85 +/- 4.54  17.746% *  0.0863% (0.50   1.0   0.02   0.02) =   0.020%
          HB2   LEU   40 - HN    MET   96  13.15 +/- 2.95   1.288% *  0.1552% (0.89   1.0   0.02   0.02) =   0.003%
          HB3   ARG+  54 - HN    MET   96  17.47 +/- 2.75   0.546% *  0.1314% (0.76   1.0   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    MET   96  13.87 +/- 2.69   1.479% *  0.0456% (0.26   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HN    MET   96  22.79 +/- 3.25   0.202% *  0.0506% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   96  30.08 +/- 4.78   0.100% *  0.0287% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 722 (1.80, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.219, support = 1.38, residual support = 14.0:
          HB    VAL   43 - HN    MET   96   4.36 +/- 1.88  55.724% * 60.2185% (0.19   1.50  15.29) =  91.284%  kept
          HG2   PRO   93 - HN    MET   96  10.85 +/- 1.05   9.732% * 23.0306% (0.46   0.23   0.02) =   6.097%  kept
          HB3   GLN   17 - HN    MET   96  18.03 +/- 4.35  13.009% *  3.7453% (0.87   0.02   0.02) =   1.325%  kept
          QB    LYS+  65 - HN    MET   96  13.26 +/- 2.55   5.587% *  3.3889% (0.79   0.02   0.02) =   0.515%  kept
          QB    LYS+ 102 - HN    MET   96  12.00 +/- 1.03   3.289% *  2.9461% (0.69   0.02   0.02) =   0.264%  kept
          HB2   LEU   71 - HN    MET   96  14.57 +/- 2.83   2.269% *  3.5193% (0.82   0.02   0.02) =   0.217%  kept
          QD    LYS+  81 - HN    MET   96  15.24 +/- 2.91   4.448% *  1.0117% (0.24   0.02   0.02) =   0.122%  kept
          HB2   LYS+  99 - HN    MET   96  11.14 +/- 0.36   3.571% *  1.1281% (0.26   0.02   0.02) =   0.110%  kept
          QB    LYS+  66 - HN    MET   96  14.10 +/- 2.60   2.371% *  1.0117% (0.24   0.02   0.02) =   0.065%
    Distance limit 4.06 A violated in 1 structures by 0.28 A, kept.
 
    Peak 723 (1.19, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.829, support = 1.65, residual support = 3.22:
          QG2   THR   94 - HN    MET   96   4.17 +/- 0.39  71.088% * 86.8100% (0.85   1.68   3.14) =  96.956%  kept
          HG12  ILE   89 - HN    MET   96   7.30 +/- 1.58  19.166% *  9.6424% (0.21   0.75   5.75) =   2.904%  kept
          HD2   LYS+ 112 - HN    MET   96  15.04 +/- 3.56   3.218% *  1.1321% (0.93   0.02   0.02) =   0.057%
          HB3   LEU   71 - HN    MET   96  14.85 +/- 2.41   2.254% *  1.0925% (0.89   0.02   0.02) =   0.039%
          HB3   LYS+ 112 - HN    MET   96  14.99 +/- 2.76   2.150% *  1.0018% (0.82   0.02   0.02) =   0.034%
          HG3   LYS+ 111 - HN    MET   96  14.49 +/- 2.04   2.123% *  0.3211% (0.26   0.02   0.02) =   0.011%
    Distance limit 4.68 A violated in 0 structures by 0.02 A, kept.
 
    Peak 724 (0.75, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.767, support = 2.81, residual support = 14.4:
          QG1   VAL   43 - HN    MET   96   3.82 +/- 1.96  56.589% * 78.8279% (0.76   2.96  15.29) =  93.919%  kept
          QG2   THR   46 - HN    MET   96   8.32 +/- 1.76  14.306% * 19.0647% (0.94   0.57   0.14) =   5.742%  kept
          QG2   VAL   18 - HN    MET   96  11.75 +/- 3.13  13.812% *  0.6426% (0.91   0.02   0.02) =   0.187%  kept
          QD2   LEU  104 - HN    MET   96   8.99 +/- 1.00   9.570% *  0.4835% (0.69   0.02   0.02) =   0.097%
          QG1   VAL   41 - HN    MET   96   9.78 +/- 2.36   4.320% *  0.4038% (0.57   0.02   0.02) =   0.037%
          QD1   ILE   19 - HN    MET   96  13.74 +/- 2.08   1.403% *  0.5775% (0.82   0.02   0.02) =   0.017%
    Distance limit 4.75 A violated in 0 structures by 0.09 A, kept.
 
    Peak 725 (0.58, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.766, support = 0.65, residual support = 0.218:
          QD1   LEU   63 - HN    MET   96   8.65 +/- 2.48  12.450% * 29.9161% (0.85   0.69   0.33) =  31.718%  kept
          QD2   LEU   63 - HN    MET   96   9.17 +/- 2.89  13.251% * 21.0306% (0.79   0.52   0.33) =  23.731%  kept
          QD1   LEU   73 - HN    MET   96   9.42 +/- 2.55  12.962% * 21.1972% (0.85   0.49   0.02) =  23.399%  kept
          QD2   LEU  115 - HN    MET   96   9.56 +/- 2.90   8.887% * 26.4808% (0.54   0.97   0.14) =  20.040%  kept
          QG2   VAL   41 - HN    MET   96   8.13 +/- 2.22  13.751% *  0.2690% (0.26   0.02   0.02) =   0.315%  kept
          QD1   LEU  104 - HN    MET   96   8.55 +/- 1.27  11.058% *  0.2986% (0.29   0.02   0.02) =   0.281%  kept
          QD2   LEU   80 - HN    MET   96  12.45 +/- 3.17   5.381% *  0.5091% (0.50   0.02   0.02) =   0.233%  kept
          QD2   LEU   98 - HN    MET   96   6.88 +/- 1.18  16.865% *  0.1493% (0.15   0.02   0.25) =   0.214%  kept
          QD1   LEU   80 - HN    MET   96  12.58 +/- 2.98   5.395% *  0.1493% (0.15   0.02   0.02) =   0.069%
    Distance limit 4.67 A violated in 1 structures by 0.62 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 726 (0.10, 9.32, 123.66 ppm):
    3 chemical-shift based assignments, quality = 0.722, support = 1.5, residual support = 5.74:
          QD1   ILE   89 - HN    MET   96   4.87 +/- 1.22  70.223% * 98.9263% (0.72   1.50   5.75) =  99.791%  kept
          QG2   VAL   83 - HN    MET   96   9.18 +/- 2.16  12.523% *  0.8401% (0.46   0.02   0.02) =   0.151%  kept
          QD2   LEU   31 - HN    MET   96  10.48 +/- 1.80  17.255% *  0.2336% (0.13   0.02   0.02) =   0.058%
    Distance limit 4.53 A violated in 2 structures by 0.51 A, kept.
 
    Peak 727 (3.21, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 3.85, residual support = 73.4:
      O   HB2   PHE   95 - HN    PHE   95   2.74 +/- 0.36 100.000% *100.0000% (0.87  10.0   3.85  73.44) = 100.000%  kept
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 728 (2.54, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.19, residual support = 73.4:
      O   HB3   PHE   95 - HN    PHE   95   3.50 +/- 0.45  97.179% * 99.8580% (0.98  10.0   4.19  73.44) =  99.997%  kept
          HG2   GLN  116 - HN    PHE   95  12.98 +/- 2.69   2.383% *  0.0964% (0.95   1.0   0.02   0.02) =   0.002%
          HG2   GLU-  25 - HN    PHE   95  22.40 +/- 2.54   0.439% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 729 (2.41, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.982, support = 3.61, residual support = 45.6:
          HB    VAL  107 - HN    PHE   95   3.84 +/- 0.57  56.559% * 90.6612% (0.99   3.72  46.96) =  96.969%  kept
          HB3   PHE   45 - HN    PHE   95   5.86 +/- 1.17  24.913% *  3.7085% (0.69   0.22   1.89) =   1.747%  kept
          QE    LYS+ 112 - HN    PHE   95  10.97 +/- 3.40  13.260% *  5.0099% (0.69   0.30   0.18) =   1.256%  kept
          QG    GLN   32 - HN    PHE   95  20.63 +/- 3.45   3.284% *  0.3382% (0.69   0.02   0.02) =   0.021%
          QG    GLU-  79 - HN    PHE   95  14.53 +/- 2.40   1.550% *  0.1848% (0.38   0.02   0.02) =   0.005%
          HG2   GLU-  29 - HN    PHE   95  23.04 +/- 2.58   0.434% *  0.0974% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 730 (1.18, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.787, support = 4.34, residual support = 18.5:
          QG2   THR   94 - HN    PHE   95   2.52 +/- 0.40  61.151% * 79.9635% (0.87   4.32  14.59) =  88.035%  kept
          QG2   VAL  107 - HN    PHE   95   3.78 +/- 1.19  34.905% * 19.0106% (0.20   4.50  46.96) =  11.947%  kept
          HG13  ILE  103 - HN    PHE   95   9.97 +/- 1.01   1.296% *  0.2591% (0.61   0.02   0.02) =   0.006%
          HD2   LYS+ 112 - HN    PHE   95  12.27 +/- 3.44   1.584% *  0.2080% (0.49   0.02   0.18) =   0.006%
          HB3   LYS+ 112 - HN    PHE   95  11.97 +/- 2.74   0.819% *  0.3831% (0.90   0.02   0.18) =   0.006%
          HB3   LEU   71 - HN    PHE   95  17.70 +/- 2.35   0.244% *  0.1756% (0.41   0.02   0.02) =   0.001%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 731 (3.96, 8.03, 115.19 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 3.08, residual support = 24.5:
      O   HB    THR   94 - HN    THR   94   2.85 +/- 0.29  84.871% * 98.9931% (0.65  10.0   3.08  24.54) =  99.987%  kept
          QB    SER   48 - HN    THR   94  11.25 +/- 1.23   1.741% *  0.1169% (0.76   1.0   0.02   0.02) =   0.002%
          HA    LYS+  65 - HN    THR   94  15.20 +/- 2.82   1.420% *  0.1413% (0.92   1.0   0.02   0.02) =   0.002%
          QB    SER   85 - HN    THR   94  12.94 +/- 1.02   1.032% *  0.1477% (0.97   1.0   0.02   0.02) =   0.002%
          QB    SER  117 - HN    THR   94  12.20 +/- 2.21   3.191% *  0.0382% (0.25   1.0   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    THR   94  11.37 +/- 2.42   1.985% *  0.0522% (0.34   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    THR   94  17.37 +/- 2.52   0.541% *  0.1448% (0.95   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    THR   94  13.64 +/- 1.69   0.978% *  0.0745% (0.49   1.0   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    THR   94  21.79 +/- 4.22   2.234% *  0.0303% (0.20   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    THR   94  17.94 +/- 2.34   0.460% *  0.0866% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    THR   94  11.85 +/- 1.06   1.313% *  0.0268% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    THR   94  22.50 +/- 4.51   0.232% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 732 (3.06, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.95, residual support = 27.3:
          HB2   PHE   45 - HN    THR   94   2.98 +/- 0.68  95.336% * 96.7294% (0.95   2.96  27.35) =  99.877%  kept
          QE    LYS+ 111 - HN    THR   94  11.02 +/- 2.51   3.845% *  2.8791% (1.00   0.08   0.02) =   0.120%  kept
          HB2   CYS   21 - HN    THR   94  16.83 +/- 1.95   0.819% *  0.3915% (0.57   0.02   0.02) =   0.003%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 733 (2.44, 8.03, 115.19 ppm):
    8 chemical-shift based assignments, quality = 0.553, support = 1.43, residual support = 25.2:
          HB3   PHE   45 - HN    THR   94   2.96 +/- 0.96  65.417% * 60.1614% (0.57   1.50  27.35) =  92.081%  kept
          QE    LYS+ 112 - HN    THR   94  10.38 +/- 4.06  20.691% *  8.5426% (0.57   0.21   0.02) =   4.135%  kept
          HB    VAL  107 - HN    THR   94   7.24 +/- 0.55   7.189% * 16.4476% (0.20   1.17   0.02) =   2.766%  kept
          HG3   MET   96 - HN    THR   94   9.30 +/- 0.97   3.683% * 10.8749% (0.28   0.55   3.14) =   0.937%  kept
          HB3   ASP-  86 - HN    THR   94  14.04 +/- 1.41   1.219% *  1.4043% (0.99   0.02   0.02) =   0.040%
          HB3   ASP-  62 - HN    THR   94  12.49 +/- 2.52   1.456% *  0.9732% (0.69   0.02   0.02) =   0.033%
          HG2   GLU-  29 - HN    THR   94  22.83 +/- 3.22   0.202% *  1.4043% (0.99   0.02   0.02) =   0.007%
          HG2   GLU-  36 - HN    THR   94  25.61 +/- 3.35   0.144% *  0.1917% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 734 (2.06, 8.03, 115.19 ppm):
    11 chemical-shift based assignments, quality = 0.98, support = 4.37, residual support = 15.6:
      O   HB2   PRO   93 - HN    THR   94   3.84 +/- 0.30  74.508% * 99.5171% (0.98  10.0   4.37  15.58) =  99.981%  kept
          HB    VAL  108 - HN    THR   94   9.07 +/- 1.72   8.945% *  0.0697% (0.69   1.0   0.02   0.02) =   0.008%
          HB2   ARG+  54 - HN    THR   94  13.07 +/- 2.35   3.038% *  0.0776% (0.76   1.0   0.02   0.02) =   0.003%
          HG3   PRO   52 - HN    THR   94  12.26 +/- 3.28   4.003% *  0.0417% (0.41   1.0   0.02   0.02) =   0.002%
          HG2   PRO   58 - HN    THR   94  12.93 +/- 3.04   3.875% *  0.0417% (0.41   1.0   0.02   0.02) =   0.002%
          HB    ILE  119 - HN    THR   94  13.87 +/- 2.80   2.792% *  0.0455% (0.45   1.0   0.02   0.02) =   0.002%
          HB2   GLN   30 - HN    THR   94  17.68 +/- 2.19   1.012% *  0.0455% (0.45   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    THR   94  18.35 +/- 2.37   0.849% *  0.0201% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   94  21.89 +/- 0.71   0.419% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    THR   94  25.68 +/- 3.30   0.306% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    THR   94  32.26 +/- 5.61   0.252% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 735 (1.36, 8.03, 115.19 ppm):
    16 chemical-shift based assignments, quality = 0.89, support = 2.81, residual support = 15.3:
      O   HB3   PRO   93 - HN    THR   94   3.86 +/- 0.28  48.928% * 94.7073% (0.90  10.0   2.83  15.58) =  98.459%  kept
          HB3   ASP-  44 - HN    THR   94   6.06 +/- 1.00  16.333% *  4.2067% (0.49   1.0   1.64   0.02) =   1.460%  kept
          HB2   LYS+ 112 - HN    THR   94  11.60 +/- 3.41   5.660% *  0.3360% (0.76   1.0   0.08   0.02) =   0.040%
          QB    ALA   84 - HN    THR   94   8.31 +/- 1.45   7.109% *  0.0916% (0.87   1.0   0.02   0.02) =   0.014%
          HG3   LYS+ 106 - HN    THR   94  10.06 +/- 1.12   3.169% *  0.0916% (0.87   1.0   0.02   0.02) =   0.006%
          HB3   LEU   73 - HN    THR   94  12.62 +/- 2.50   3.369% *  0.0683% (0.65   1.0   0.02   0.02) =   0.005%
          HG3   LYS+  65 - HN    THR   94  15.23 +/- 3.63   3.119% *  0.0598% (0.57   1.0   0.02   0.02) =   0.004%
          HB    VAL   42 - HN    THR   94  10.95 +/- 1.22   2.406% *  0.0598% (0.57   1.0   0.02   0.02) =   0.003%
          HB2   LEU   63 - HN    THR   94  11.34 +/- 2.33   3.211% *  0.0396% (0.38   1.0   0.02   0.02) =   0.003%
          HG    LEU   98 - HN    THR   94  14.11 +/- 1.66   1.157% *  0.0807% (0.76   1.0   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    THR   94  12.82 +/- 3.14   2.027% *  0.0294% (0.28   1.0   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    THR   94  18.52 +/- 3.26   1.930% *  0.0185% (0.18   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    THR   94  21.18 +/- 3.02   0.583% *  0.0514% (0.49   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    THR   94  20.09 +/- 2.25   0.415% *  0.0683% (0.65   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    THR   94  20.57 +/- 1.16   0.339% *  0.0725% (0.69   1.0   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    THR   94  24.71 +/- 3.60   0.246% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 736 (1.21, 8.03, 115.19 ppm):
    7 chemical-shift based assignments, quality = 0.396, support = 3.11, residual support = 21.7:
          QG2   THR   94 - HN    THR   94   3.88 +/- 0.16  57.890% * 57.6605% (0.34   3.51  24.54) =  86.457%  kept
          HG12  ILE   89 - HN    THR   94   6.91 +/- 1.11  12.776% * 27.6178% (0.76   0.75   5.50) =   9.139%  kept
          HD2   LYS+ 112 - HN    THR   94  11.74 +/- 4.40  15.993% *  9.2123% (0.73   0.26   0.02) =   3.816%  kept
          HG3   LYS+ 111 - HN    THR   94  11.54 +/- 2.56   3.573% *  3.3509% (0.84   0.08   0.02) =   0.310%  kept
          HB3   LYS+ 112 - HN    THR   94  11.61 +/- 3.68   8.072% *  1.2382% (0.31   0.08   0.02) =   0.259%  kept
          HB3   LEU   71 - HN    THR   94  17.29 +/- 2.60   0.786% *  0.7717% (0.80   0.02   0.02) =   0.016%
          HG    LEU   71 - HN    THR   94  18.01 +/- 2.88   0.910% *  0.1487% (0.15   0.02   0.02) =   0.004%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 737 (0.64, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.896, support = 0.749, residual support = 5.49:
          QG2   ILE   89 - HN    THR   94   5.05 +/- 0.86  89.784% * 99.1801% (0.90   0.75   5.50) =  99.906%  kept
          QG1   VAL   83 - HN    THR   94  11.35 +/- 1.85  10.216% *  0.8199% (0.28   0.02   0.02) =   0.094%
    Distance limit 4.63 A violated in 2 structures by 0.64 A, kept.
 
    Peak 738 (2.27, 8.46, 118.59 ppm):
    9 chemical-shift based assignments, quality = 0.291, support = 3.07, residual support = 48.4:
          HG3   MET   92 - HN    MET   92   3.69 +/- 0.74  74.785% * 35.4857% (0.14   3.74  61.21) =  78.960%  kept
          QG    GLN   90 - HN    MET   92   6.63 +/- 0.78  17.650% * 34.7680% (0.87   0.57   0.10) =  18.259%  kept
          HB2   ASP-  44 - HN    MET   92  12.34 +/- 1.52   3.785% * 23.6688% (0.98   0.34   0.19) =   2.665%  kept
          HB3   PHE   72 - HN    MET   92  18.07 +/- 2.88   1.509% *  1.2932% (0.92   0.02   0.02) =   0.058%
          HG12  ILE  119 - HN    MET   92  17.00 +/- 2.74   1.034% *  0.7370% (0.53   0.02   0.02) =   0.023%
          QG    GLU-  15 - HN    MET   92  26.20 +/- 3.95   0.325% *  1.4009% (1.00   0.02   0.02) =   0.014%
          QG    GLU-  14 - HN    MET   92  26.64 +/- 3.50   0.274% *  1.3519% (0.97   0.02   0.02) =   0.011%
          QB    MET   11 - HN    MET   92  32.59 +/- 5.89   0.237% *  1.0172% (0.73   0.02   0.02) =   0.007%
          HB2   GLU-  29 - HN    MET   92  25.47 +/- 3.71   0.402% *  0.2772% (0.20   0.02   0.02) =   0.003%
    Distance limit 4.27 A violated in 0 structures by 0.02 A, kept.
 
    Peak 739 (1.89, 8.46, 118.59 ppm):
    11 chemical-shift based assignments, quality = 0.997, support = 3.65, residual support = 61.1:
      O   HB2   MET   92 - HN    MET   92   2.89 +/- 0.62  78.374% * 98.2005% (1.00  10.0   3.65  61.21) =  99.864%  kept
          HB3   GLN   90 - HN    MET   92   6.86 +/- 0.54   7.320% *  1.3616% (0.18   1.0   1.58   0.10) =   0.129%  kept
          QB    LYS+  81 - HN    MET   92  10.47 +/- 3.16   8.602% *  0.0219% (0.22   1.0   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    MET   92  13.82 +/- 3.68   2.183% *  0.0637% (0.65   1.0   0.02   0.02) =   0.002%
          HB3   PRO   58 - HN    MET   92  17.91 +/- 4.09   0.982% *  0.0950% (0.97   1.0   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    MET   92  22.05 +/- 2.65   0.353% *  0.0931% (0.95   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    MET   92  13.26 +/- 1.10   0.965% *  0.0245% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   92  27.55 +/- 3.44   0.197% *  0.0788% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    MET   92  24.22 +/- 3.61   0.696% *  0.0133% (0.14   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   92  36.77 +/- 6.95   0.195% *  0.0304% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   92  29.91 +/- 4.27   0.134% *  0.0172% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 740 (1.71, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.561, support = 3.99, residual support = 60.4:
      O   HB3   MET   92 - HN    MET   92   3.56 +/- 0.46  64.770% * 94.2125% (0.57  10.0   4.00  61.21) =  98.672%  kept
          HG3   PRO   93 - HN    MET   92   5.73 +/- 0.77  16.227% *  4.9758% (0.20   1.0   3.02   1.86) =   1.306%  kept
          HB    ILE   89 - HN    MET   92   8.67 +/- 1.24  10.472% *  0.0415% (0.25   1.0   0.02   0.02) =   0.007%
          QG1   ILE   56 - HN    MET   92  12.24 +/- 2.79   2.711% *  0.1272% (0.76   1.0   0.02   0.02) =   0.006%
          QD    LYS+ 106 - HN    MET   92  13.41 +/- 1.39   1.472% *  0.1492% (0.90   1.0   0.02   0.02) =   0.004%
          HD2   LYS+ 111 - HN    MET   92  13.29 +/- 3.65   2.618% *  0.0746% (0.45   1.0   0.02   0.02) =   0.003%
          HB2   LEU   73 - HN    MET   92  18.13 +/- 1.95   0.677% *  0.1208% (0.73   1.0   0.02   0.02) =   0.001%
          QD    LYS+  99 - HN    MET   92  22.77 +/- 1.04   0.288% *  0.1536% (0.92   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HN    MET   92  23.90 +/- 0.87   0.245% *  0.1077% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    MET   92  23.72 +/- 3.97   0.520% *  0.0370% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 741 (1.25, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 3.13, residual support = 9.24:
          QB    ALA   91 - HN    MET   92   3.18 +/- 0.24  91.632% * 96.2750% (1.00   3.13   9.24) =  99.962%  kept
          QG2   ILE   56 - HN    MET   92  10.94 +/- 3.27   4.532% *  0.4233% (0.69   0.02   0.02) =   0.022%
          HG2   LYS+  74 - HN    MET   92  15.58 +/- 2.74   0.984% *  0.3987% (0.65   0.02   0.02) =   0.004%
          QG2   THR   39 - HN    MET   92  20.75 +/- 2.59   0.442% *  0.6149% (1.00   0.02   0.02) =   0.003%
          QB    ALA   34 - HN    MET   92  19.49 +/- 2.61   0.682% *  0.3000% (0.49   0.02   0.02) =   0.002%
          HG    LEU   71 - HN    MET   92  23.14 +/- 4.11   0.497% *  0.3738% (0.61   0.02   0.02) =   0.002%
          HG13  ILE   19 - HN    MET   92  23.52 +/- 3.23   0.302% *  0.5346% (0.87   0.02   0.02) =   0.002%
          HG3   LYS+  38 - HN    MET   92  28.47 +/- 3.15   0.166% *  0.5346% (0.87   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HN    MET   92  25.40 +/- 0.88   0.188% *  0.4233% (0.69   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    MET   92  18.62 +/- 2.38   0.574% *  0.1220% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 742 (3.88, 7.72, 122.85 ppm):
    12 chemical-shift based assignments, quality = 0.606, support = 2.48, residual support = 7.64:
          HA    ILE   89 - HN    ALA   91   3.74 +/- 0.53  82.048% * 96.1945% (0.61   2.49   7.64) =  99.950%  kept
          HB    THR  118 - HN    ALA   91  16.67 +/- 2.91   1.482% *  1.2073% (0.95   0.02   0.02) =   0.023%
          HB3   SER   82 - HN    ALA   91  13.59 +/- 1.74   3.156% *  0.2235% (0.18   0.02   0.02) =   0.009%
          HB3   SER   37 - HN    ALA   91  26.27 +/- 3.78   0.330% *  0.7741% (0.61   0.02   0.02) =   0.003%
          HB    THR   39 - HN    ALA   91  23.23 +/- 2.74   0.414% *  0.5722% (0.45   0.02   0.02) =   0.003%
          HB    THR   39 - HN    TRP   27  14.67 +/- 2.81   2.728% *  0.0707% (0.06   0.02   0.02) =   0.002%
          QB    SER   13 - HN    ALA   91  27.98 +/- 4.60   0.299% *  0.5247% (0.41   0.02   0.02) =   0.002%
          HB3   SER   37 - HN    TRP   27  15.44 +/- 1.95   1.630% *  0.0957% (0.07   0.02   0.02) =   0.002%
          QB    SER   13 - HN    TRP   27  16.22 +/- 2.79   1.988% *  0.0648% (0.05   0.02   0.02) =   0.002%
          HB3   SER   82 - HN    TRP   27  15.65 +/- 6.24   4.360% *  0.0276% (0.02   0.02   0.02) =   0.002%
          HA    ILE   89 - HN    TRP   27  18.02 +/- 2.30   0.954% *  0.0957% (0.07   0.02   0.02) =   0.001%
          HB    THR  118 - HN    TRP   27  21.87 +/- 3.60   0.609% *  0.1492% (0.12   0.02   0.02) =   0.001%
    Distance limit 4.10 A violated in 0 structures by 0.08 A, kept.
 
    Peak 743 (2.17, 7.72, 122.85 ppm):
    14 chemical-shift based assignments, quality = 0.711, support = 4.91, residual support = 31.6:
          HB2   GLN   90 - HN    ALA   91   3.76 +/- 0.57  48.226% * 91.7505% (0.73   4.96  32.36) =  97.774%  kept
          HB2   GLU-  25 - HN    TRP   27   5.01 +/- 0.22  22.724% *  2.5004% (0.02   4.01   0.63) =   1.256%  kept
          HG3   GLU-  29 - HN    TRP   27   6.29 +/- 0.44  11.061% *  3.1934% (0.11   1.13   0.02) =   0.780%  kept
          HB3   GLU-  29 - HN    TRP   27   6.95 +/- 0.48   8.713% *  0.8860% (0.07   0.53   0.02) =   0.171%  kept
          HG3   GLU-  29 - HN    ALA   91  24.68 +/- 3.57   0.352% *  0.4571% (0.90   0.02   0.02) =   0.004%
          HB3   GLU-  29 - HN    ALA   91  24.94 +/- 3.79   0.533% *  0.2681% (0.53   0.02   0.02) =   0.003%
          HB3   GLU-  79 - HN    ALA   91  13.90 +/- 2.51   1.401% *  0.1009% (0.20   0.02   0.02) =   0.003%
          HB2   LYS+  38 - HN    ALA   91  26.90 +/- 3.79   0.289% *  0.4821% (0.95   0.02   0.02) =   0.003%
          QB    GLU-  36 - HN    ALA   91  25.12 +/- 4.37   1.082% *  0.1271% (0.25   0.02   0.02) =   0.003%
          HB3   GLU-  79 - HN    TRP   27  12.53 +/- 4.01   3.148% *  0.0125% (0.02   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    TRP   27  17.63 +/- 1.85   0.580% *  0.0596% (0.12   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HN    ALA   91  22.77 +/- 3.41   0.286% *  0.1009% (0.20   0.02   0.02) =   0.001%
          HB2   GLN   90 - HN    TRP   27  20.43 +/- 3.80   0.490% *  0.0457% (0.09   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    TRP   27  13.68 +/- 0.89   1.117% *  0.0157% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 744 (1.86, 7.72, 122.85 ppm):
    28 chemical-shift based assignments, quality = 0.974, support = 4.9, residual support = 31.9:
          HB3   GLN   90 - HN    ALA   91   3.51 +/- 0.67  45.376% * 90.8645% (0.99   4.96  32.36) =  98.005%  kept
          HB2   MET   92 - HN    ALA   91   6.13 +/- 0.95  14.390% *  5.5715% (0.15   1.95   9.24) =   1.906%  kept
          QB    LYS+  81 - HN    ALA   91   9.73 +/- 2.07   3.411% *  0.3569% (0.97   0.02   0.02) =   0.029%
          QB    LYS+ 106 - HN    ALA   91  11.15 +/- 1.84   1.532% *  0.3499% (0.95   0.02   0.02) =   0.013%
          QB    LYS+  33 - HN    ALA   91  22.79 +/- 3.68   0.949% *  0.3698% (1.00   0.02   0.02) =   0.008%
          HB3   GLN   30 - HN    TRP   27   4.96 +/- 0.73  19.842% *  0.0114% (0.03   0.02   0.02) =   0.005%
          HG2   ARG+  54 - HN    ALA   91  17.49 +/- 3.12   0.613% *  0.3569% (0.97   0.02   0.02) =   0.005%
          HB    ILE   56 - HN    ALA   91  15.72 +/- 3.88   0.919% *  0.2094% (0.57   0.02   0.02) =   0.005%
          HB3   ASP- 105 - HN    ALA   91  16.72 +/- 1.47   0.459% *  0.3625% (0.98   0.02   0.02) =   0.004%
          HB    ILE  103 - HN    ALA   91  17.01 +/- 1.53   0.449% *  0.3499% (0.95   0.02   0.02) =   0.004%
          HB3   PRO   52 - HN    ALA   91  14.92 +/- 3.98   1.406% *  0.0922% (0.25   0.02   0.02) =   0.003%
          QB    LYS+  33 - HN    TRP   27   9.50 +/- 1.00   2.775% *  0.0457% (0.12   0.02   0.02) =   0.003%
          HG3   PRO   68 - HN    ALA   91  23.87 +/- 3.34   0.221% *  0.3414% (0.92   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    TRP   27  18.77 +/- 4.36   1.548% *  0.0432% (0.12   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    TRP   27  15.44 +/- 4.40   1.222% *  0.0441% (0.12   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    ALA   91  25.90 +/- 3.58   0.236% *  0.1520% (0.41   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    TRP   27  19.51 +/- 4.05   0.778% *  0.0448% (0.12   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    ALA   91  20.62 +/- 2.54   0.377% *  0.0922% (0.25   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    TRP   27  24.35 +/- 4.91   0.538% *  0.0441% (0.12   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    ALA   91  23.38 +/- 3.11   0.254% *  0.0922% (0.25   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    TRP   27  20.27 +/- 3.87   0.486% *  0.0453% (0.12   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    TRP   27  17.75 +/- 2.56   0.470% *  0.0432% (0.12   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    TRP   27  20.71 +/- 2.53   0.312% *  0.0422% (0.11   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    TRP   27  17.66 +/- 2.22   0.456% *  0.0188% (0.05   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    TRP   27  22.61 +/- 3.43   0.327% *  0.0259% (0.07   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    TRP   27  25.36 +/- 4.72   0.211% *  0.0114% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    TRP   27  25.48 +/- 3.43   0.192% *  0.0114% (0.03   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    TRP   27  21.15 +/- 2.64   0.251% *  0.0071% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.06 A, kept.
 
    Peak 745 (1.26, 7.72, 122.85 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 3.07, residual support = 12.8:
      O   QB    ALA   91 - HN    ALA   91   2.31 +/- 0.18  78.093% * 99.2924% (0.92  10.0   3.07  12.80) =  99.996%  kept
          QG2   ILE   56 - HN    ALA   91  12.57 +/- 3.50   0.908% *  0.0993% (0.92   1.0   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    TRP   27   4.75 +/- 0.82  12.508% *  0.0055% (0.05   1.0   0.02   1.33) =   0.001%
          QB    ALA   34 - HN    ALA   91  18.13 +/- 2.63   0.361% *  0.0822% (0.76   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   91  19.75 +/- 2.62   0.188% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    TRP   27   8.89 +/- 1.01   1.569% *  0.0102% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ALA   91  15.60 +/- 2.27   0.332% *  0.0404% (0.38   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   91  17.86 +/- 2.82   0.259% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   91  22.61 +/- 3.84   0.233% *  0.0367% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   91  26.81 +/- 3.35   0.077% *  0.1073% (1.00   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    TRP   27  12.85 +/- 2.16   0.653% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   91  22.66 +/- 3.08   0.115% *  0.0652% (0.61   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    TRP   27  10.46 +/- 0.83   0.921% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    TRP   27  14.26 +/- 2.74   1.560% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    TRP   27  11.42 +/- 1.83   1.024% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   91  22.96 +/- 1.18   0.087% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    TRP   27  17.64 +/- 2.39   0.254% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    TRP   27  18.84 +/- 3.10   0.257% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    TRP   27  18.09 +/- 2.20   0.207% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    TRP   27  18.18 +/- 4.34   0.393% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 748 (4.63, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.175, support = 5.32, residual support = 160.1:
      O   HA    LYS+ 102 - HN    LYS+ 102   2.93 +/- 0.00  98.851% * 99.2019% (0.18  10.0   5.32 160.09) =  99.995%  kept
          HA    ALA   20 - HN    LYS+ 102  19.78 +/- 3.58   0.586% *  0.5652% (1.00   1.0   0.02   0.02) =   0.003%
          HA    LEU   71 - HN    LYS+ 102  18.46 +/- 4.54   0.563% *  0.2329% (0.41   1.0   0.02   0.02) =   0.001%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 749 (4.15, 7.76, 120.90 ppm):
    9 chemical-shift based assignments, quality = 0.606, support = 3.13, residual support = 12.5:
      O   HA1   GLY  101 - HN    LYS+ 102   3.43 +/- 0.19  90.594% * 99.3899% (0.61  10.0   3.13  12.52) =  99.994%  kept
          HA    THR   26 - HN    LYS+ 102  19.74 +/- 4.33   1.014% *  0.1624% (0.99   1.0   0.02   0.02) =   0.002%
          HA    ALA   34 - HN    LYS+ 102  15.51 +/- 5.85   1.689% *  0.0674% (0.41   1.0   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    LYS+ 102  15.98 +/- 4.96   2.160% *  0.0409% (0.25   1.0   0.02   0.02) =   0.001%
          HA    ILE   19 - HN    LYS+ 102  19.61 +/- 3.85   1.273% *  0.0506% (0.31   1.0   0.02   0.02) =   0.001%
          HA    GLU-  25 - HN    LYS+ 102  19.92 +/- 5.39   2.094% *  0.0253% (0.15   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    LYS+ 102  22.06 +/- 2.95   0.408% *  0.1252% (0.76   1.0   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    LYS+ 102  25.53 +/- 2.83   0.263% *  0.0928% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+ 102  20.22 +/- 2.49   0.506% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 750 (3.54, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 3.13, residual support = 12.5:
      O   HA2   GLY  101 - HN    LYS+ 102   2.91 +/- 0.49  98.260% * 99.6785% (0.28  10.0   3.13  12.52) =  99.997%  kept
          HB2   TRP   27 - HN    LYS+ 102  17.67 +/- 4.09   1.511% *  0.1607% (0.45   1.0   0.02   0.02) =   0.002%
          HD2   PRO   93 - HN    LYS+ 102  23.87 +/- 1.00   0.229% *  0.1607% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 751 (2.01, 7.76, 120.90 ppm):
    9 chemical-shift based assignments, quality = 0.836, support = 0.02, residual support = 0.02:
          HB3   GLU-  25 - HN    LYS+ 102  21.47 +/- 5.63  13.165% * 14.4279% (1.00   0.02   0.02) =  17.255%  kept
          QB    GLU-  15 - HN    LYS+ 102  18.39 +/- 5.01  13.453% * 13.6482% (0.95   0.02   0.02) =  16.679%  kept
          HB2   GLN   17 - HN    LYS+ 102  20.76 +/- 5.75  11.704% * 13.6482% (0.95   0.02   0.02) =  14.511%  kept
          QB    GLU- 114 - HN    LYS+ 102  19.16 +/- 2.08  10.858% * 12.0512% (0.84   0.02   0.02) =  11.887%  kept
          HB    ILE   19 - HN    LYS+ 102  18.23 +/- 3.23  10.788% * 11.0262% (0.76   0.02   0.02) =  10.805%  kept
          HG2   PRO   68 - HN    LYS+ 102  22.11 +/- 6.21  11.686% *  9.9106% (0.69   0.02   0.02) =  10.521%  kept
          HB3   PRO   68 - HN    LYS+ 102  23.25 +/- 5.93   9.172% *  8.7509% (0.61   0.02   0.02) =   7.291%  kept
          HB2   LYS+ 111 - HN    LYS+ 102  23.95 +/- 2.54   5.637% * 12.9393% (0.90   0.02   0.02) =   6.626%  kept
          HG3   GLN   30 - HN    LYS+ 102  17.91 +/- 3.49  13.537% *  3.5976% (0.25   0.02   0.02) =   4.424%  kept
    Distance limit 4.54 A violated in 19 structures by 7.21 A, eliminated.
    Peak unassigned.
 
    Peak 752 (1.81, 7.76, 120.90 ppm):
    10 chemical-shift based assignments, quality = 0.977, support = 4.8, residual support = 159.2:
      O   QB    LYS+ 102 - HN    LYS+ 102   2.57 +/- 0.15  87.637% * 92.4697% (0.98  10.0   4.81 160.09) =  99.366%  kept
          HG12  ILE  103 - HN    LYS+ 102   6.38 +/- 0.70   7.288% *  7.0560% (0.45   1.0   3.34  23.23) =   0.631%  kept
          HB    VAL   41 - HN    LYS+ 102  12.20 +/- 6.21   2.866% *  0.0572% (0.61   1.0   0.02   0.02) =   0.002%
          HB2   LEU   71 - HN    LYS+ 102  17.81 +/- 5.63   0.505% *  0.0846% (0.90   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    LYS+ 102  20.90 +/- 5.82   0.926% *  0.0354% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    LYS+ 102  20.62 +/- 3.67   0.238% *  0.0755% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LYS+ 102  20.95 +/- 2.46   0.190% *  0.0871% (0.92   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+ 102  23.32 +/- 1.22   0.123% *  0.0925% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+ 102  24.35 +/- 5.24   0.154% *  0.0210% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+ 102  28.51 +/- 2.95   0.074% *  0.0210% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 753 (1.42, 7.76, 120.90 ppm):
    12 chemical-shift based assignments, quality = 0.278, support = 4.13, residual support = 124.5:
          HG2   LYS+ 102 - HN    LYS+ 102   3.48 +/- 0.42  61.887% * 59.1544% (0.28   4.57 160.09) =  77.478%  kept
          QB    LEU   98 - HN    LYS+ 102   5.04 +/- 1.31  31.211% * 33.9496% (0.28   2.62   2.17) =  22.425%  kept
          QB    ALA   61 - HN    LYS+ 102  18.43 +/- 2.85   0.916% *  0.8349% (0.90   0.02   0.02) =   0.016%
          HD3   LYS+ 121 - HN    LYS+ 102  18.68 +/- 8.10   1.364% *  0.5271% (0.57   0.02   0.02) =   0.015%
          HG12  ILE   19 - HN    LYS+ 102  18.38 +/- 3.51   0.695% *  0.9289% (1.00   0.02   0.02) =   0.014%
          HG    LEU   80 - HN    LYS+ 102  21.32 +/- 5.38   0.478% *  0.9227% (0.99   0.02   0.02) =   0.009%
          HB3   LEU   67 - HN    LYS+ 102  19.99 +/- 4.80   0.560% *  0.7114% (0.76   0.02   0.02) =   0.008%
          QB    ALA  110 - HN    LYS+ 102  19.46 +/- 1.60   0.407% *  0.9289% (1.00   0.02   0.02) =   0.008%
          HB2   LEU   80 - HN    LYS+ 102  20.67 +/- 5.15   0.548% *  0.6760% (0.73   0.02   0.02) =   0.008%
          HB3   LYS+  74 - HN    LYS+ 102  19.69 +/- 3.13   0.752% *  0.4898% (0.53   0.02   0.02) =   0.008%
          HG    LEU   73 - HN    LYS+ 102  16.85 +/- 3.70   0.821% *  0.3494% (0.38   0.02   0.02) =   0.006%
          QG    LYS+  66 - HN    LYS+ 102  21.43 +/- 3.44   0.362% *  0.5271% (0.57   0.02   0.02) =   0.004%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 754 (0.74, 7.76, 120.90 ppm):
    7 chemical-shift based assignments, quality = 0.51, support = 1.75, residual support = 1.34:
          QD1   LEU   98 - HN    LYS+ 102   4.52 +/- 1.71  42.523% * 51.3899% (0.18   2.79   2.17) =  56.100%  kept
          QD2   LEU  104 - HN    LYS+ 102   4.33 +/- 0.78  41.043% * 41.2565% (0.95   0.41   0.29) =  43.470%  kept
          QG1   VAL   41 - HN    LYS+ 102  10.42 +/- 5.76   9.943% *  0.7174% (0.34   0.02   0.02) =   0.183%  kept
          QG1   VAL   43 - HN    LYS+ 102  10.98 +/- 2.80   3.072% *  1.1064% (0.53   0.02   0.02) =   0.087%
          QG2   VAL   18 - HN    LYS+ 102  16.68 +/- 3.56   1.418% *  1.6072% (0.76   0.02   0.02) =   0.059%
          QD1   ILE   19 - HN    LYS+ 102  15.59 +/- 3.10   1.086% *  2.0984% (1.00   0.02   0.02) =   0.058%
          QG2   THR   46 - HN    LYS+ 102  17.74 +/- 3.05   0.916% *  1.8242% (0.87   0.02   0.02) =   0.043%
    Distance limit 4.32 A violated in 0 structures by 0.02 A, kept.
 
    Peak 755 (3.88, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 6.33, residual support = 39.7:
      O   HA    ILE   89 - HN    GLN   90   2.35 +/- 0.11  98.430% * 99.5753% (0.61  10.0   6.33  39.68) =  99.999%  kept
          HB    THR  118 - HN    GLN   90  16.96 +/- 2.73   0.334% *  0.1553% (0.95   1.0   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    GLN   90  12.41 +/- 1.47   0.853% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   90  25.26 +/- 3.95   0.131% *  0.0996% (0.61   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLN   90  22.29 +/- 2.89   0.145% *  0.0736% (0.45   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   90  26.94 +/- 4.77   0.106% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 756 (2.26, 8.62, 127.39 ppm):
    10 chemical-shift based assignments, quality = 0.895, support = 5.65, residual support = 88.7:
          QG    GLN   90 - HN    GLN   90   3.35 +/- 0.70  82.530% * 91.5588% (0.90   5.68  89.27) =  99.380%  kept
          HG3   MET   92 - HN    GLN   90   8.72 +/- 0.96   6.739% *  6.6092% (0.61   0.61   0.10) =   0.586%  kept
          HB2   ASP-  44 - HN    GLN   90  11.56 +/- 2.16   5.251% *  0.2610% (0.73   0.02   0.02) =   0.018%
          HB3   PHE   72 - HN    GLN   90  16.45 +/- 2.86   1.569% *  0.3002% (0.84   0.02   0.02) =   0.006%
          HG12  ILE  119 - HN    GLN   90  18.03 +/- 2.78   0.841% *  0.3563% (0.99   0.02   0.02) =   0.004%
          HB2   GLU-  29 - HN    GLN   90  22.69 +/- 3.18   0.503% *  0.2610% (0.73   0.02   0.02) =   0.002%
          QG    GLU-  15 - HN    GLN   90  24.24 +/- 4.40   0.536% *  0.2180% (0.61   0.02   0.02) =   0.002%
          QG    GLU-  14 - HN    GLN   90  24.92 +/- 3.77   0.379% *  0.2747% (0.76   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    GLN   90  15.89 +/- 2.22   1.155% *  0.0896% (0.25   0.02   0.02) =   0.001%
          QB    MET   11 - HN    GLN   90  30.69 +/- 5.97   0.497% *  0.0711% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 758 (1.87, 8.62, 127.39 ppm):
    13 chemical-shift based assignments, quality = 0.922, support = 5.58, residual support = 89.1:
      O   HB3   GLN   90 - HN    GLN   90   3.22 +/- 0.46  75.089% * 97.9462% (0.92  10.0   5.59  89.27) =  99.824%  kept
          HB2   MET   92 - HN    GLN   90   7.56 +/- 0.84   9.629% *  1.2072% (0.38   1.0   0.61   0.10) =   0.158%  kept
          QB    LYS+  81 - HN    GLN   90   8.97 +/- 1.75   5.805% *  0.1024% (0.97   1.0   0.02   0.02) =   0.008%
          QB    LYS+ 106 - HN    GLN   90  10.85 +/- 2.06   3.281% *  0.1040% (0.98   1.0   0.02   0.02) =   0.005%
          HB    ILE   56 - HN    GLN   90  16.31 +/- 3.80   0.960% *  0.0920% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    GLN   90  16.28 +/- 1.77   0.917% *  0.0811% (0.76   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    GLN   90  21.73 +/- 3.68   0.709% *  0.0920% (0.87   1.0   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    GLN   90  18.12 +/- 2.96   0.821% *  0.0770% (0.73   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    GLN   90  16.15 +/- 1.90   0.766% *  0.0729% (0.69   1.0   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    GLN   90  23.36 +/- 3.51   0.385% *  0.0686% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    GLN   90  19.46 +/- 2.46   0.463% *  0.0558% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   90  19.51 +/- 4.61   0.901% *  0.0236% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   90  24.93 +/- 3.74   0.272% *  0.0770% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.02 A, kept.
 
    Peak 759 (0.64, 8.62, 127.39 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 7.2, residual support = 39.7:
          QG2   ILE   89 - HN    GLN   90   2.41 +/- 0.60 100.000% *100.0000% (0.65   7.20  39.68) = 100.000%  kept
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 760 (0.11, 8.62, 127.39 ppm):
    4 chemical-shift based assignments, quality = 0.486, support = 5.78, residual support = 39.6:
          QD1   ILE   89 - HN    GLN   90   4.36 +/- 0.47  65.298% * 99.5381% (0.49   5.78  39.68) =  99.910%  kept
          QG2   VAL   83 - HN    GLN   90   7.74 +/- 1.34  17.250% *  0.1764% (0.25   0.02   0.02) =   0.047%
          QG2   VAL   75 - HN    GLN   90  10.21 +/- 3.04  13.266% *  0.1764% (0.25   0.02   0.02) =   0.036%
          QG2   VAL   42 - HN    GLN   90  12.02 +/- 2.11   4.186% *  0.1091% (0.15   0.02   0.02) =   0.007%
    Distance limit 4.49 A violated in 0 structures by 0.11 A, kept.
 
    Peak 761 (3.98, 7.91, 118.70 ppm):
    13 chemical-shift based assignments, quality = 0.991, support = 4.11, residual support = 8.8:
      O   HA    ALA   88 - HN    ILE   89   3.41 +/- 0.13  71.731% * 99.4024% (0.99  10.0   4.11   8.80) =  99.981%  kept
          HA    SER   48 - HN    ILE   89  14.33 +/- 2.96   5.341% *  0.0968% (0.97   1.0   0.02   0.02) =   0.007%
          QB    SER   85 - HN    ILE   89   6.04 +/- 0.56  13.772% *  0.0223% (0.22   1.0   0.02   0.02) =   0.004%
          HB2   SER   82 - HN    ILE   89  10.64 +/- 0.91   2.431% *  0.0649% (0.65   1.0   0.02   0.02) =   0.002%
          HA    GLN   32 - HN    ILE   89  21.31 +/- 4.57   1.238% *  0.0983% (0.98   1.0   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    ILE   89  17.30 +/- 2.93   0.708% *  0.0870% (0.87   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    ILE   89  23.26 +/- 4.33   1.284% *  0.0376% (0.38   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    ILE   89  19.57 +/- 3.46   0.692% *  0.0568% (0.57   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    ILE   89  20.80 +/- 3.65   0.453% *  0.0528% (0.53   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ILE   89  24.77 +/- 5.56   0.916% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ILE   89  20.77 +/- 3.12   0.517% *  0.0279% (0.28   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ILE   89  20.15 +/- 3.06   0.500% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   89  20.20 +/- 2.78   0.416% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.05 A, kept.
 
    Peak 762 (3.89, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 6.01, residual support = 215.7:
      O   HA    ILE   89 - HN    ILE   89   2.63 +/- 0.18  98.442% * 99.5011% (0.34  10.0   6.01 215.66) =  99.998%  kept
          HB    THR  118 - HN    ILE   89  18.22 +/- 3.01   0.396% *  0.2118% (0.73   1.0   0.02   0.02) =   0.001%
          HA    PHE   60 - HN    ILE   89  17.31 +/- 2.32   0.496% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE   89  23.88 +/- 3.95   0.200% *  0.0995% (0.34   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE   89  21.06 +/- 3.38   0.270% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE   89  25.95 +/- 4.71   0.195% *  0.0577% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 763 (1.75, 7.91, 118.70 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.58, residual support = 215.6:
      O   HB    ILE   89 - HN    ILE   89   2.46 +/- 0.47  94.800% * 99.6919% (0.45  10.0   5.58 215.66) =  99.994%  kept
          HB    VAL   43 - HN    ILE   89   9.74 +/- 2.25   3.039% *  0.1170% (0.53   1.0   0.02   0.02) =   0.004%
          QD    LYS+  81 - HN    ILE   89  10.04 +/- 1.45   1.738% *  0.0997% (0.45   1.0   0.02   0.02) =   0.002%
          HB2   LYS+  99 - HN    ILE   89  18.08 +/- 2.02   0.423% *  0.0914% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.03 A, kept.
 
    Peak 764 (1.23, 7.91, 118.70 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.75, residual support = 215.4:
          HG12  ILE   89 - HN    ILE   89   2.83 +/- 0.48  88.312% * 96.7490% (0.76   5.76 215.66) =  99.857%  kept
          QB    ALA   91 - HN    ILE   89   6.67 +/- 0.87   8.512% *  1.3270% (0.31   0.20   7.64) =   0.132%  kept
          HG2   LYS+  74 - HN    ILE   89  15.27 +/- 2.39   0.790% *  0.3813% (0.87   0.02   0.02) =   0.004%
          HG3   LYS+ 111 - HN    ILE   89  17.45 +/- 2.94   0.660% *  0.3019% (0.69   0.02   0.02) =   0.002%
          HG3   LYS+  99 - HN    ILE   89  19.99 +/- 2.28   0.322% *  0.3671% (0.84   0.02   0.02) =   0.001%
          HG    LEU   71 - HN    ILE   89  21.49 +/- 3.42   0.291% *  0.3942% (0.90   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    ILE   89  20.79 +/- 2.92   0.375% *  0.2843% (0.65   0.02   0.02) =   0.001%
          QG2   THR   39 - HN    ILE   89  18.11 +/- 3.06   0.486% *  0.1357% (0.31   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    ILE   89  24.38 +/- 4.52   0.253% *  0.0595% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.03 A, kept.
 
    Peak 765 (0.63, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 6.47, residual support = 215.3:
          QG2   ILE   89 - HN    ILE   89   3.63 +/- 0.17  85.561% * 98.9715% (1.00   6.48 215.66) =  99.850%  kept
          QG1   VAL   83 - HN    ILE   89   7.21 +/- 0.96  12.888% *  0.9814% (0.53   0.12   0.02) =   0.149%  kept
          QD1   LEU  104 - HN    ILE   89  14.81 +/- 1.99   1.551% *  0.0471% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 766 (-0.07, 7.91, 118.70 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 5.53, residual support = 215.7:
          HG13  ILE   89 - HN    ILE   89   3.41 +/- 0.90 100.000% *100.0000% (0.90   5.53 215.66) = 100.000%  kept
    Distance limit 3.87 A violated in 0 structures by 0.16 A, kept.
 
    Peak 768 (3.99, 7.82, 121.71 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 1.63, residual support = 12.0:
      O   HA    ALA   88 - HN    ALA   88   2.24 +/- 0.02  95.855% * 99.0917% (0.84  10.0   1.63  11.97) =  99.995%  kept
          HA    SER   48 - HN    ALA   88  15.76 +/- 3.35   1.373% *  0.1425% (0.98   1.0   0.02   0.02) =   0.002%
          HB2   SER   82 - HN    ALA   88   9.42 +/- 0.50   1.319% *  0.1303% (0.90   1.0   0.02   0.02) =   0.002%
          HA    LYS+  33 - HN    ALA   88  23.76 +/- 4.81   0.407% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA   88  21.78 +/- 5.06   0.240% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   88  20.81 +/- 3.40   0.178% *  0.1214% (0.84   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   88  19.28 +/- 3.32   0.214% *  0.0882% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ALA   88  21.06 +/- 4.32   0.160% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   88  21.73 +/- 3.40   0.147% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   88  22.59 +/- 2.72   0.107% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 769 (1.33, 7.82, 121.71 ppm):
    12 chemical-shift based assignments, quality = 0.725, support = 2.04, residual support = 11.9:
      O   QB    ALA   88 - HN    ALA   88   2.96 +/- 0.06  70.990% * 98.4028% (0.73  10.0   2.05  11.97) =  99.799%  kept
          QB    ALA   84 - HN    ALA   88   4.87 +/- 0.42  17.903% *  0.7454% (0.15   1.0   0.71   0.02) =   0.191%  kept
          HB3   ASP-  44 - HN    ALA   88  13.84 +/- 2.44   3.376% *  0.0608% (0.45   1.0   0.02   0.02) =   0.003%
          HB3   LEU   80 - HN    ALA   88  10.27 +/- 1.26   2.058% *  0.0931% (0.69   1.0   0.02   0.02) =   0.003%
          QG2   THR   77 - HN    ALA   88  10.09 +/- 2.67   3.134% *  0.0462% (0.34   1.0   0.02   0.02) =   0.002%
          HB2   LEU   31 - HN    ALA   88  18.56 +/- 4.73   0.441% *  0.1132% (0.84   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HN    ALA   88  24.95 +/- 5.55   0.350% *  0.1328% (0.98   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    ALA   88  20.02 +/- 3.17   0.294% *  0.1215% (0.90   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    ALA   88  20.73 +/- 2.64   0.239% *  0.1355% (1.00   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   88  14.20 +/- 2.72   0.856% *  0.0302% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   88  20.18 +/- 2.07   0.257% *  0.0767% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   88  27.16 +/- 2.82   0.103% *  0.0418% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (3.42, 7.69, 117.92 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.14, residual support = 70.6:
      O   HB2   TRP   87 - HN    TRP   87   3.64 +/- 0.29  93.543% * 99.8429% (0.73  10.0   4.14  70.63) =  99.996%  kept
          HB    THR   46 - HN    TRP   87  13.67 +/- 2.88   5.109% *  0.0469% (0.34   1.0   0.02   0.02) =   0.003%
          HB2   PHE   60 - HN    TRP   87  18.25 +/- 2.94   1.014% *  0.0889% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   HIS  122 - HN    TRP   87  25.37 +/- 3.57   0.333% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (2.93, 7.69, 117.92 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.96, residual support = 22.7:
          HB2   ASP-  86 - HN    TRP   87   2.73 +/- 0.20  92.546% * 97.4984% (0.80   3.97  22.69) =  99.971%  kept
          HB2   ASN   35 - HN    TRP   87  22.53 +/- 5.94   3.286% *  0.2753% (0.45   0.02   0.02) =   0.010%
          QE    LYS+  33 - HN    TRP   87  19.77 +/- 3.55   1.068% *  0.6019% (0.98   0.02   0.02) =   0.007%
          HB2   ASN   28 - HN    TRP   87  17.29 +/- 4.95   0.641% *  0.6140% (1.00   0.02   0.02) =   0.004%
          HB2   ASP-  78 - HN    TRP   87  14.00 +/- 1.70   1.167% *  0.3231% (0.53   0.02   0.02) =   0.004%
          QE    LYS+  65 - HN    TRP   87  20.61 +/- 3.50   0.304% *  0.5926% (0.97   0.02   0.02) =   0.002%
          HB2   ASP-  76 - HN    TRP   87  13.11 +/- 1.63   0.987% *  0.0947% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 772 (2.50, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 4.01, residual support = 70.6:
      O   HB3   TRP   87 - HN    TRP   87   2.93 +/- 0.19  98.922% * 99.8532% (1.00  10.0   4.01  70.63) =  99.999%  kept
          HG2   GLU-  25 - HN    TRP   87  18.62 +/- 5.28   0.832% *  0.0487% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    TRP   87  23.39 +/- 3.38   0.246% *  0.0981% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.01 A, kept.
 
    Peak 773 (1.30, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.527, support = 2.21, residual support = 4.96:
          QB    ALA   88 - HN    TRP   87   4.44 +/- 0.12  76.906% * 96.6444% (0.53   2.21   4.98) =  99.675%  kept
          QG2   THR   77 - HN    TRP   87   9.42 +/- 2.24  11.829% *  1.4879% (0.90   0.02   0.02) =   0.236%  kept
          QG2   THR   23 - HN    TRP   87  15.16 +/- 3.42   5.143% *  0.8729% (0.53   0.02   0.02) =   0.060%
          QB    ALA   34 - HN    TRP   87  15.44 +/- 3.46   2.921% *  0.3694% (0.22   0.02   0.02) =   0.014%
          HG2   LYS+  38 - HN    TRP   87  23.57 +/- 5.90   2.136% *  0.3694% (0.22   0.02   0.02) =   0.011%
          HG2   LYS+  99 - HN    TRP   87  19.68 +/- 2.99   1.065% *  0.2560% (0.15   0.02   0.02) =   0.004%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 774 (0.08, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.836, support = 1.87, residual support = 17.6:
          QD1   ILE   89 - HN    TRP   87   4.73 +/- 0.71  43.113% * 68.6452% (0.76   2.43  18.04) =  64.237%  kept
          QG2   VAL   83 - HN    TRP   87   4.29 +/- 0.49  53.578% * 30.7126% (0.97   0.86  16.74) =  35.717%  kept
          QD2   LEU   31 - HN    TRP   87  12.92 +/- 3.70   3.309% *  0.6423% (0.87   0.02   1.73) =   0.046%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 775 (0.10, 10.56, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.527, support = 1.15, residual support = 17.1:
          QG2   VAL   83 - HE1   TRP   87   2.07 +/- 0.49  86.074% * 29.1237% (0.45   1.01  16.74) =  71.749%  kept
          QD1   ILE   89 - HE1   TRP   87   5.24 +/- 1.15  13.926% * 70.8763% (0.73   1.52  18.04) =  28.251%  kept
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 776 (3.97, 8.31, 124.24 ppm):
    11 chemical-shift based assignments, quality = 0.76, support = 3.23, residual support = 13.0:
          QB    SER   85 - HN    ASP-  86   3.03 +/- 0.22  69.908% * 82.6649% (0.76   3.33  13.44) =  96.451%  kept
          HA    ALA   88 - HN    ASP-  86   5.20 +/- 0.29  15.279% * 12.7544% (0.69   0.57   0.02) =   3.252%  kept
          HB2   SER   82 - HN    ASP-  86   6.11 +/- 0.61   9.703% *  1.6820% (0.15   0.34   0.02) =   0.272%  kept
          HA2   GLY   16 - HN    ASP-  86  25.12 +/- 6.09   0.808% *  0.4968% (0.76   0.02   0.02) =   0.007%
          HA    SER   48 - HN    ASP-  86  16.03 +/- 2.66   0.765% *  0.2915% (0.45   0.02   0.02) =   0.004%
          HD2   PRO   52 - HN    ASP-  86  20.20 +/- 3.30   0.337% *  0.5830% (0.90   0.02   0.02) =   0.003%
          HA    GLN   32 - HN    ASP-  86  21.22 +/- 5.65   0.369% *  0.4721% (0.73   0.02   0.02) =   0.003%
          HB    THR   94 - HN    ASP-  86  11.22 +/- 1.18   1.542% *  0.1003% (0.15   0.02   0.02) =   0.003%
          QB    SER   48 - HN    ASP-  86  14.26 +/- 2.56   0.937% *  0.1447% (0.22   0.02   0.02) =   0.002%
          HA    LYS+  65 - HN    ASP-  86  22.42 +/- 2.92   0.248% *  0.5430% (0.84   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    ASP-  86  27.84 +/- 2.74   0.103% *  0.2673% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 777 (3.82, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.606, support = 2.25, residual support = 10.8:
          HA    VAL   83 - HN    ASP-  86   2.91 +/- 0.19  97.347% * 95.3192% (0.61   2.25  10.80) =  99.972%  kept
          HB2   CYS   53 - HN    ASP-  86  19.39 +/- 3.19   0.697% *  1.3481% (0.97   0.02   0.02) =   0.010%
          HD2   PRO   58 - HN    ASP-  86  22.79 +/- 3.69   0.670% *  0.9596% (0.69   0.02   0.02) =   0.007%
          HA    GLU- 100 - HN    ASP-  86  20.08 +/- 4.60   0.460% *  0.7909% (0.57   0.02   0.02) =   0.004%
          HA    GLN   30 - HN    ASP-  86  19.93 +/- 4.09   0.395% *  0.8473% (0.61   0.02   0.02) =   0.004%
          HD3   PRO   52 - HN    ASP-  86  21.19 +/- 3.44   0.431% *  0.7350% (0.53   0.02   0.02) =   0.003%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 778 (2.93, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.02, residual support = 42.5:
      O   HB2   ASP-  86 - HN    ASP-  86   2.63 +/- 0.28  96.895% * 99.6258% (0.98  10.0   5.02  42.53) =  99.998%  kept
          HB2   ASN   28 - HN    ASP-  86  17.47 +/- 5.75   0.768% *  0.0912% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   ASN   35 - HN    ASP-  86  23.59 +/- 6.25   0.518% *  0.0738% (0.73   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  86  20.30 +/- 3.90   0.408% *  0.0814% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASP-  86  13.33 +/- 1.43   1.139% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  86  21.36 +/- 3.63   0.273% *  0.0996% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 779 (2.46, 8.31, 124.24 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.55, residual support = 42.5:
      O   HB3   ASP-  86 - HN    ASP-  86   2.56 +/- 0.57  96.471% * 99.2823% (0.41  10.0   3.55  42.53) =  99.992%  kept
          HG3   MET   96 - HN    ASP-  86  12.23 +/- 2.72   1.526% *  0.2394% (0.99   1.0   0.02   0.02) =   0.004%
          HG2   GLU-  36 - HN    ASP-  86  25.85 +/- 6.23   1.398% *  0.2095% (0.87   1.0   0.02   0.02) =   0.003%
          HB3   ASP-  62 - HN    ASP-  86  22.58 +/- 2.68   0.272% *  0.2017% (0.84   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HN    ASP-  86  20.69 +/- 5.15   0.333% *  0.0671% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 780 (3.97, 8.05, 111.48 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.15, residual support = 18.0:
      O   QB    SER   85 - HN    SER   85   2.21 +/- 0.17  84.307% * 99.3113% (0.76  10.0   3.15  18.03) =  99.989%  kept
          HA    ALA   88 - HN    SER   85   5.24 +/- 0.48   7.215% *  0.0893% (0.69   1.0   0.02   0.02) =   0.008%
          HB2   SER   82 - HN    SER   85   5.63 +/- 0.23   5.401% *  0.0201% (0.15   1.0   0.02   2.90) =   0.001%
          HA2   GLY   16 - HN    SER   85  25.72 +/- 6.35   0.514% *  0.0993% (0.76   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    SER   85  14.67 +/- 2.47   0.454% *  0.0583% (0.45   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   85  18.93 +/- 3.24   0.190% *  0.1165% (0.90   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    SER   85  12.96 +/- 2.50   0.730% *  0.0289% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   85  10.87 +/- 1.57   0.866% *  0.0201% (0.15   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   85  22.43 +/- 5.37   0.163% *  0.0944% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   85  22.16 +/- 2.95   0.112% *  0.1085% (0.84   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   85  27.68 +/- 2.88   0.048% *  0.0534% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 781 (3.70, 8.05, 111.48 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 3.27, residual support = 20.7:
      O   HA    ALA   84 - HN    SER   85   3.61 +/- 0.02  93.490% * 99.3529% (0.49  10.0   3.27  20.66) =  99.993%  kept
          HA    VAL   75 - HN    SER   85  12.70 +/- 2.00   2.962% *  0.1074% (0.53   1.0   0.02   0.02) =   0.003%
          HB2   TRP   49 - HN    SER   85  18.67 +/- 2.96   0.910% *  0.1402% (0.69   1.0   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    SER   85  18.32 +/- 3.35   1.227% *  0.0630% (0.31   1.0   0.02   0.02) =   0.001%
          HA    ILE  119 - HN    SER   85  24.26 +/- 2.45   0.336% *  0.1560% (0.76   1.0   0.02   0.02) =   0.001%
          HA    THR  118 - HN    SER   85  23.88 +/- 2.66   0.372% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    SER   85  22.34 +/- 3.89   0.703% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 782 (1.36, 8.05, 111.48 ppm):
    16 chemical-shift based assignments, quality = 0.997, support = 3.98, residual support = 20.7:
          QB    ALA   84 - HN    SER   85   2.63 +/- 0.14  89.439% * 96.0227% (1.00   3.98  20.66) =  99.966%  kept
          HB3   LEU   80 - HN    SER   85   7.25 +/- 1.01   5.340% *  0.2543% (0.53   0.02   0.02) =   0.016%
          HB3   ASP-  44 - HN    SER   85  14.24 +/- 2.24   0.799% *  0.3694% (0.76   0.02   0.02) =   0.003%
          HG    LEU   98 - HN    SER   85  16.19 +/- 3.68   0.628% *  0.4664% (0.97   0.02   0.02) =   0.003%
          HB3   PRO   93 - HN    SER   85  15.14 +/- 2.01   0.567% *  0.4833% (1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    SER   85  15.56 +/- 2.97   0.604% *  0.2931% (0.61   0.02   0.02) =   0.002%
          HB3   LEU   73 - HN    SER   85  16.15 +/- 2.12   0.456% *  0.1814% (0.38   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    SER   85  19.15 +/- 5.14   0.380% *  0.1814% (0.38   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    SER   85  20.44 +/- 1.98   0.206% *  0.3127% (0.65   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    SER   85  17.76 +/- 2.75   0.383% *  0.1492% (0.31   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    SER   85  21.45 +/- 3.94   0.225% *  0.1987% (0.41   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    SER   85  22.57 +/- 3.37   0.185% *  0.2352% (0.49   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    SER   85  27.83 +/- 2.95   0.090% *  0.4334% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    SER   85  22.37 +/- 4.60   0.282% *  0.1205% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    SER   85  21.77 +/- 3.62   0.218% *  0.1492% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   85  22.46 +/- 3.47   0.196% *  0.1492% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 783 (3.70, 7.58, 119.96 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 3.84, residual support = 17.7:
      O   HA    ALA   84 - HN    ALA   84   2.73 +/- 0.02  95.193% * 99.3529% (0.49  10.0   3.84  17.68) =  99.995%  kept
          HA    VAL   75 - HN    ALA   84  10.26 +/- 2.10   2.979% *  0.1074% (0.53   1.0   0.02   0.02) =   0.003%
          HB2   TRP   49 - HN    ALA   84  17.99 +/- 3.08   0.473% *  0.1402% (0.69   1.0   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    ALA   84  18.23 +/- 3.57   0.611% *  0.0630% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA   84  22.75 +/- 2.21   0.180% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    ALA   84  22.68 +/- 2.51   0.203% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ALA   84  20.84 +/- 3.64   0.361% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 784 (1.66, 7.58, 119.96 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.33, residual support = 40.8:
          HB    VAL   83 - HN    ALA   84   3.41 +/- 0.30  81.856% * 97.8489% (0.99   5.33  40.77) =  99.948%  kept
          QD    LYS+  38 - HN    ALA   84  22.30 +/- 6.17   7.055% *  0.3672% (0.99   0.02   0.02) =   0.032%
          QD    LYS+  65 - HN    ALA   84  18.47 +/- 3.69   0.914% *  0.3575% (0.97   0.02   0.02) =   0.004%
          HG3   PRO   93 - HN    ALA   84  14.63 +/- 2.87   1.627% *  0.1949% (0.53   0.02   0.02) =   0.004%
          QD    LYS+ 102 - HN    ALA   84  18.59 +/- 4.06   0.872% *  0.2690% (0.73   0.02   0.02) =   0.003%
          HB3   MET   92 - HN    ALA   84  12.79 +/- 2.62   3.474% *  0.0649% (0.18   0.02   0.02) =   0.003%
          HD2   LYS+  74 - HN    ALA   84  14.34 +/- 1.97   1.394% *  0.1523% (0.41   0.02   0.02) =   0.003%
          HB2   LYS+ 121 - HN    ALA   84  23.91 +/- 2.71   0.292% *  0.3505% (0.95   0.02   0.02) =   0.001%
          QB    ALA   57 - HN    ALA   84  16.23 +/- 3.53   1.462% *  0.0649% (0.18   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    ALA   84  21.84 +/- 3.43   0.436% *  0.0924% (0.25   0.02   0.02) =   0.001%
          HB2   LEU  123 - HN    ALA   84  27.62 +/- 3.20   0.207% *  0.1803% (0.49   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   84  22.52 +/- 3.75   0.410% *  0.0572% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.14 A, kept.
 
    Peak 785 (1.36, 7.58, 119.96 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 4.15, residual support = 17.7:
      O   QB    ALA   84 - HN    ALA   84   2.02 +/- 0.07  86.527% * 98.7027% (0.87  10.0   4.15  17.68) =  99.954%  kept
          HB3   LEU   80 - HN    ALA   84   4.70 +/- 0.94   9.774% *  0.3750% (0.28   1.0   0.24   0.02) =   0.043%
          HB3   PRO   93 - HN    ALA   84  14.15 +/- 2.50   0.480% *  0.1020% (0.90   1.0   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    ALA   84  15.31 +/- 3.97   0.509% *  0.0870% (0.76   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    ALA   84  15.07 +/- 3.07   0.365% *  0.0987% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   84  13.98 +/- 2.40   0.451% *  0.0736% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   84  12.56 +/- 1.97   0.511% *  0.0554% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   84  16.14 +/- 2.90   0.284% *  0.0644% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   84  20.63 +/- 4.58   0.169% *  0.0554% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   84  21.13 +/- 4.13   0.119% *  0.0782% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   84  21.70 +/- 3.51   0.088% *  0.0870% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   84  20.22 +/- 3.41   0.115% *  0.0644% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   84  18.47 +/- 2.02   0.134% *  0.0427% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   84  17.85 +/- 5.01   0.233% *  0.0199% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   84  23.84 +/- 5.18   0.193% *  0.0199% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   84  26.48 +/- 3.03   0.047% *  0.0736% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 786 (0.60, 7.58, 119.96 ppm):
    6 chemical-shift based assignments, quality = 0.693, support = 5.71, residual support = 39.8:
          QG1   VAL   83 - HN    ALA   84   4.04 +/- 0.44  63.793% * 93.3328% (0.69   5.85  40.77) =  97.551%  kept
          QD2   LEU   80 - HN    ALA   84   5.67 +/- 0.76  28.165% *  5.2109% (0.95   0.24   0.02) =   2.405%  kept
          QD1   LEU   73 - HN    ALA   84  11.84 +/- 2.24   3.966% *  0.2818% (0.61   0.02   0.02) =   0.018%
          QD1   LEU  104 - HN    ALA   84  16.74 +/- 2.92   1.584% *  0.4637% (1.00   0.02   0.02) =   0.012%
          QD2   LEU  115 - HN    ALA   84  16.57 +/- 2.40   1.204% *  0.4290% (0.92   0.02   0.02) =   0.008%
          QD1   LEU   63 - HN    ALA   84  15.56 +/- 1.72   1.289% *  0.2818% (0.61   0.02   0.02) =   0.006%
    Distance limit 4.05 A violated in 0 structures by 0.05 A, kept.
 
    Peak 787 (0.07, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.757, support = 6.12, residual support = 40.0:
          QG2   VAL   83 - HN    ALA   84   2.76 +/- 0.79  73.587% * 88.0280% (0.76   6.25  40.77) =  97.302%  kept
          QD1   ILE   89 - HN    ALA   84   5.85 +/- 1.37  15.455% * 11.5222% (0.49   1.28  13.12) =   2.675%  kept
          QD2   LEU   31 - HN    ALA   84  13.24 +/- 3.79   2.246% *  0.3677% (1.00   0.02   0.02) =   0.012%
          QG2   VAL   43 - HN    ALA   84   9.16 +/- 3.14   8.712% *  0.0820% (0.22   0.02   0.02) =   0.011%
    Distance limit 3.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 788 (4.00, 6.59, 123.60 ppm):
    10 chemical-shift based assignments, quality = 0.755, support = 4.09, residual support = 19.1:
          HB2   SER   82 - HN    VAL   83   3.23 +/- 0.48  88.501% * 97.0054% (0.75   4.09  19.13) =  99.958%  kept
          HA    ALA   88 - HN    VAL   83   9.18 +/- 0.75   5.315% *  0.2685% (0.43   0.02   0.02) =   0.017%
          HA    SER   48 - HN    VAL   83  14.98 +/- 2.72   1.637% *  0.3797% (0.60   0.02   0.02) =   0.007%
          HA    GLU-  29 - HN    VAL   83  18.91 +/- 5.60   0.860% *  0.4648% (0.74   0.02   0.02) =   0.005%
          HA    VAL   18 - HN    VAL   83  18.52 +/- 3.35   0.828% *  0.4700% (0.75   0.02   0.02) =   0.005%
          HA    LYS+  33 - HN    VAL   83  22.05 +/- 5.68   0.682% *  0.4253% (0.68   0.02   0.02) =   0.003%
          HA    VAL   70 - HN    VAL   83  20.97 +/- 3.90   0.584% *  0.2876% (0.46   0.02   0.02) =   0.002%
          HA    GLN   32 - HN    VAL   83  20.78 +/- 5.93   0.614% *  0.2495% (0.40   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    VAL   83  19.81 +/- 3.64   0.726% *  0.1617% (0.26   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    VAL   83  24.13 +/- 2.88   0.253% *  0.2876% (0.46   0.02   0.02) =   0.001%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 789 (3.82, 6.59, 123.60 ppm):
    6 chemical-shift based assignments, quality = 0.458, support = 4.7, residual support = 85.6:
      O   HA    VAL   83 - HN    VAL   83   2.80 +/- 0.03  97.435% * 99.4506% (0.46  10.0   4.70  85.61) =  99.997%  kept
          HB2   CYS   53 - HN    VAL   83  18.81 +/- 3.01   0.473% *  0.1582% (0.73   1.0   0.02   0.02) =   0.001%
          HA    GLU- 100 - HN    VAL   83  20.78 +/- 5.62   0.631% *  0.0928% (0.43   1.0   0.02   0.02) =   0.001%
          HA    GLN   30 - HN    VAL   83  18.46 +/- 4.82   0.557% *  0.0995% (0.46   1.0   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    VAL   83  20.84 +/- 3.96   0.600% *  0.0863% (0.40   1.0   0.02   0.02) =   0.001%
          HD2   PRO   58 - HN    VAL   83  22.13 +/- 3.48   0.305% *  0.1126% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 790 (1.66, 6.59, 123.60 ppm):
    12 chemical-shift based assignments, quality = 0.748, support = 4.77, residual support = 85.6:
      O   HB    VAL   83 - HN    VAL   83   2.35 +/- 0.53  91.330% * 99.4176% (0.75  10.0   4.77  85.61) =  99.993%  kept
          QD    LYS+  38 - HN    VAL   83  22.33 +/- 6.78   5.467% *  0.0994% (0.75   1.0   0.02   0.02) =   0.006%
          QD    LYS+ 102 - HN    VAL   83  19.15 +/- 4.60   0.359% *  0.0728% (0.55   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    VAL   83  16.73 +/- 3.19   0.480% *  0.0528% (0.40   1.0   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    VAL   83  19.11 +/- 3.59   0.256% *  0.0968% (0.73   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    VAL   83  14.91 +/- 2.11   0.476% *  0.0412% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    VAL   83  14.76 +/- 2.95   0.734% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    VAL   83  25.31 +/- 2.76   0.118% *  0.0949% (0.71   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    VAL   83  17.51 +/- 3.60   0.446% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    VAL   83  29.03 +/- 3.45   0.069% *  0.0488% (0.37   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    VAL   83  24.03 +/- 3.42   0.134% *  0.0250% (0.19   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    VAL   83  24.72 +/- 3.80   0.131% *  0.0155% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.04 A, kept.
 
    Peak 791 (1.39, 6.59, 123.60 ppm):
    13 chemical-shift based assignments, quality = 0.349, support = 0.02, residual support = 0.0928:
          HB2   LEU   80 - HN    VAL   83   3.73 +/- 0.73  80.486% *  2.8578% (0.19   0.02   0.14) =  59.933%  kept
          HB3   LEU   73 - HN    VAL   83  14.24 +/- 3.04   4.517% *  9.9416% (0.65   0.02   0.02) =  11.702%  kept
          QB    LEU   98 - HN    VAL   83  14.28 +/- 3.97   3.000% *  7.8727% (0.52   0.02   0.02) =   6.153%  kept
          HB    VAL   42 - HN    VAL   83  17.13 +/- 3.26   1.717% * 10.5799% (0.70   0.02   0.02) =   4.733%  kept
          HG3   LYS+  33 - HN    VAL   83  20.18 +/- 5.14   1.104% * 11.0607% (0.73   0.02   0.02) =   3.180%  kept
          HB3   LYS+  74 - HN    VAL   83  14.74 +/- 2.07   2.428% *  4.7118% (0.31   0.02   0.02) =   2.981%  kept
          HG3   LYS+ 106 - HN    VAL   83  16.70 +/- 3.11   1.489% *  7.4142% (0.49   0.02   0.02) =   2.877%  kept
          HG3   LYS+  65 - HN    VAL   83  20.94 +/- 3.38   0.788% * 10.5799% (0.70   0.02   0.02) =   2.171%  kept
          QB    ALA   12 - HN    VAL   83  23.22 +/- 5.37   0.704% * 10.5799% (0.70   0.02   0.02) =   1.942%  kept
          HG3   LYS+ 102 - HN    VAL   83  21.71 +/- 4.79   0.671% *  9.5730% (0.63   0.02   0.02) =   1.673%  kept
          HB2   LYS+ 112 - HN    VAL   83  23.72 +/- 3.55   0.533% *  8.7588% (0.58   0.02   0.02) =   1.216%  kept
          HB3   PRO   93 - HN    VAL   83  16.18 +/- 2.84   2.174% *  1.7684% (0.12   0.02   0.02) =   1.002%  kept
          HD3   LYS+ 121 - HN    VAL   83  25.77 +/- 3.19   0.390% *  4.3014% (0.28   0.02   0.02) =   0.437%  kept
    Distance limit 3.88 A violated in 0 structures by 0.21 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 792 (0.61, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.722, support = 5.11, residual support = 80.4:
          QG1   VAL   83 - HN    VAL   83   2.88 +/- 0.61  63.138% * 86.3854% (0.75   5.33  85.61) =  93.943%  kept
          QD2   LEU   80 - HN    VAL   83   4.33 +/- 0.80  29.664% * 11.4606% (0.31   1.71   0.14) =   5.856%  kept
          QG2   ILE   89 - HN    VAL   83   6.89 +/- 1.12   6.342% *  1.8200% (0.46   0.18   0.02) =   0.199%  kept
          QD1   LEU  104 - HN    VAL   83  17.57 +/- 3.10   0.467% *  0.2114% (0.49   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    VAL   83  18.06 +/- 2.31   0.389% *  0.1227% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.22 A violated in 0 structures by 0.03 A, kept.
 
    Peak 793 (0.09, 6.59, 123.60 ppm):
    3 chemical-shift based assignments, quality = 0.74, support = 5.19, residual support = 85.1:
          QG2   VAL   83 - HN    VAL   83   2.98 +/- 0.59  87.450% * 93.7822% (0.74   5.22  85.61) =  99.363%  kept
          QD1   ILE   89 - HN    VAL   83   7.56 +/- 1.37   8.621% *  5.9956% (0.73   0.34   0.02) =   0.626%  kept
          QD2   LEU   31 - HN    VAL   83  13.13 +/- 4.62   3.930% *  0.2222% (0.46   0.02   0.02) =   0.011%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 794 (4.01, 8.64, 114.33 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 4.0, residual support = 33.3:
      O   HB2   SER   82 - HN    SER   82   2.81 +/- 0.52  91.896% * 99.3063% (0.87  10.0   4.00  33.26) =  99.995%  kept
          HA    SER   48 - HN    SER   82  14.53 +/- 2.98   1.542% *  0.0557% (0.49   1.0   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    SER   82  10.22 +/- 0.74   2.304% *  0.0318% (0.28   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    SER   82  19.82 +/- 3.60   0.667% *  0.1057% (0.92   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    SER   82  20.42 +/- 5.82   0.567% *  0.1083% (0.95   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    SER   82  23.66 +/- 6.06   0.526% *  0.1142% (1.00   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    SER   82  22.39 +/- 3.93   0.366% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    SER   82  24.35 +/- 6.28   0.875% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    SER   82  25.04 +/- 3.19   0.192% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   82  22.52 +/- 6.07   0.403% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   82  19.67 +/- 3.65   0.661% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (3.87, 8.64, 114.33 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 3.4, residual support = 33.3:
      O   HB3   SER   82 - HN    SER   82   2.51 +/- 0.53  96.294% * 99.2682% (0.69  10.0   3.40  33.26) =  99.995%  kept
          HA    ILE   89 - HN    SER   82  11.00 +/- 1.21   1.613% *  0.1445% (1.00   1.0   0.02   0.02) =   0.002%
          HB    THR   39 - HN    SER   82  22.45 +/- 5.93   0.585% *  0.1395% (0.97   1.0   0.02   0.02) =   0.001%
          HB3   SER   37 - HN    SER   82  24.79 +/- 6.40   0.383% *  0.1445% (1.00   1.0   0.02   0.02) =   0.001%
          QB    SER   13 - HN    SER   82  24.58 +/- 5.48   0.266% *  0.1367% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   82  23.59 +/- 2.38   0.167% *  0.1157% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    SER   82  19.99 +/- 5.09   0.424% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   82  20.62 +/- 4.00   0.269% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (1.87, 8.64, 114.33 ppm):
    13 chemical-shift based assignments, quality = 0.964, support = 4.54, residual support = 13.2:
          QB    LYS+  81 - HN    SER   82   3.35 +/- 0.31  82.136% * 96.3471% (0.97   4.54  13.21) =  99.926%  kept
          HB3   GLN   90 - HN    SER   82  10.88 +/- 2.64   6.301% *  0.4057% (0.92   0.02   0.02) =   0.032%
          HB3   LYS+  38 - HN    SER   82  25.66 +/- 7.02   3.818% *  0.3191% (0.73   0.02   0.02) =   0.015%
          HB2   MET   92 - HN    SER   82  14.67 +/- 3.51   2.397% *  0.1649% (0.38   0.02   0.02) =   0.005%
          QB    LYS+ 106 - HN    SER   82  17.38 +/- 2.36   0.752% *  0.4307% (0.98   0.02   0.02) =   0.004%
          QB    LYS+  33 - HN    SER   82  20.19 +/- 5.17   0.811% *  0.3812% (0.87   0.02   0.02) =   0.004%
          HB3   GLN   30 - HN    SER   82  17.83 +/- 5.04   1.057% *  0.2312% (0.53   0.02   0.02) =   0.003%
          HB    ILE   56 - HN    SER   82  22.31 +/- 3.44   0.496% *  0.3812% (0.87   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    SER   82  22.35 +/- 3.11   0.526% *  0.3358% (0.76   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    SER   82  20.57 +/- 3.77   0.551% *  0.3019% (0.69   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    SER   82  22.64 +/- 4.33   0.519% *  0.3191% (0.73   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    SER   82  25.87 +/- 2.92   0.214% *  0.2843% (0.65   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    SER   82  23.86 +/- 3.91   0.421% *  0.0978% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 798 (0.61, 8.64, 114.33 ppm):
    7 chemical-shift based assignments, quality = 0.893, support = 3.83, residual support = 15.4:
          QG1   VAL   83 - HN    SER   82   5.00 +/- 0.71  38.108% * 81.7003% (0.95   4.47  19.13) =  79.886%  kept
          QD2   LEU   80 - HN    SER   82   4.61 +/- 0.80  45.084% * 17.3331% (0.69   1.31   0.35) =  20.051%  kept
          QG2   ILE   89 - HN    SER   82   7.74 +/- 1.30  11.176% *  0.1318% (0.34   0.02   0.02) =   0.038%
          QD1   LEU   73 - HN    SER   82  13.21 +/- 2.94   2.989% *  0.1192% (0.31   0.02   0.02) =   0.009%
          QD1   LEU  104 - HN    SER   82  19.22 +/- 3.31   0.967% *  0.3465% (0.90   0.02   0.02) =   0.009%
          QD2   LEU  115 - HN    SER   82  18.78 +/- 2.49   0.818% *  0.2499% (0.65   0.02   0.02) =   0.005%
          QD1   LEU   63 - HN    SER   82  17.51 +/- 1.93   0.858% *  0.1192% (0.31   0.02   0.02) =   0.003%
    Distance limit 4.44 A violated in 0 structures by 0.03 A, kept.
 
    Peak 799 (1.87, 7.29, 121.74 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.75, residual support = 105.0:
      O   QB    LYS+  81 - HN    LYS+  81   2.23 +/- 0.20  92.077% * 99.1460% (0.97  10.0   5.75 105.05) =  99.994%  kept
          HB3   GLN   90 - HN    LYS+  81  10.87 +/- 2.97   2.742% *  0.0948% (0.92   1.0   0.02   0.02) =   0.003%
          HB3   LYS+  38 - HN    LYS+  81  25.57 +/- 6.84   1.134% *  0.0746% (0.73   1.0   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    LYS+  81  13.63 +/- 4.23   1.962% *  0.0386% (0.38   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    LYS+  81  20.12 +/- 5.17   0.339% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  81  17.39 +/- 2.50   0.280% *  0.1007% (0.98   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  81  20.79 +/- 3.59   0.227% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  81  20.83 +/- 4.56   0.255% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  81  17.59 +/- 4.76   0.325% *  0.0541% (0.53   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  81  20.98 +/- 3.79   0.213% *  0.0706% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  81  22.09 +/- 3.16   0.184% *  0.0785% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  81  24.63 +/- 3.11   0.090% *  0.0665% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  81  22.19 +/- 4.06   0.171% *  0.0229% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 800 (1.55, 7.29, 121.74 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.22, residual support = 105.0:
          QG    LYS+  81 - HN    LYS+  81   2.71 +/- 0.50  97.188% * 98.8363% (0.97   5.22 105.05) =  99.994%  kept
          HG2   LYS+ 106 - HN    LYS+  81  18.99 +/- 3.36   0.496% *  0.3624% (0.92   0.02   0.02) =   0.002%
          HD3   LYS+  74 - HN    LYS+  81  14.25 +/- 1.77   1.097% *  0.1339% (0.34   0.02   0.02) =   0.002%
          HG2   LYS+  33 - HN    LYS+  81  21.34 +/- 5.01   0.370% *  0.3714% (0.95   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HN    LYS+  81  22.98 +/- 4.04   0.320% *  0.1212% (0.31   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+  81  22.57 +/- 3.91   0.276% *  0.0874% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    LYS+  81  25.91 +/- 3.50   0.253% *  0.0874% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.01 A, kept.
 
    Peak 801 (0.58, 7.29, 121.74 ppm):
    9 chemical-shift based assignments, quality = 0.431, support = 5.75, residual support = 39.9:
          QD2   LEU   80 - HN    LYS+  81   4.32 +/- 0.79  33.422% * 77.6898% (0.53   5.92  40.00) =  74.387%  kept
          QD1   LEU   80 - HN    LYS+  81   3.95 +/- 1.15  43.724% * 20.3468% (0.15   5.29  40.00) =  25.487%  kept
          QG2   VAL   41 - HN    LYS+  81  14.66 +/- 4.23  10.829% *  0.1387% (0.28   0.02   0.02) =   0.043%
          QD1   LEU   73 - HN    LYS+  81  12.82 +/- 2.76   3.044% *  0.4474% (0.90   0.02   0.02) =   0.039%
          QD1   LEU   63 - HN    LYS+  81  16.35 +/- 2.12   0.975% *  0.4474% (0.90   0.02   0.02) =   0.012%
          QD2   LEU   98 - HN    LYS+  81  14.49 +/- 4.05   5.466% *  0.0770% (0.15   0.02   0.02) =   0.012%
          QD2   LEU   63 - HN    LYS+  81  16.86 +/- 2.09   0.837% *  0.4167% (0.84   0.02   0.02) =   0.010%
          QD2   LEU  115 - HN    LYS+  81  17.68 +/- 2.82   0.740% *  0.2824% (0.57   0.02   0.02) =   0.006%
          QD1   LEU  104 - HN    LYS+  81  19.18 +/- 3.36   0.964% *  0.1540% (0.31   0.02   0.02) =   0.004%
    Distance limit 4.21 A violated in 0 structures by 0.04 A, kept.
 
    Peak 802 (2.91, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.574, support = 3.89, residual support = 16.0:
          HB2   ASP-  78 - HN    GLU-  79   3.20 +/- 0.53  45.833% * 74.3315% (0.60   4.65  21.02) =  73.135%  kept
          HB2   ASP-  76 - HN    GLU-  79   3.04 +/- 0.83  50.057% * 24.9913% (0.51   1.84   2.46) =  26.855%  kept
          QE    LYS+  65 - HN    GLU-  79  14.63 +/- 4.93   1.675% *  0.0907% (0.17   0.02   0.02) =   0.003%
          QE    LYS+  33 - HN    GLU-  79  18.18 +/- 4.25   0.803% *  0.1716% (0.32   0.02   0.02) =   0.003%
          HB2   ASN   69 - HN    GLU-  79  22.22 +/- 3.84   0.318% *  0.2368% (0.44   0.02   0.02) =   0.002%
          HB2   ASN   28 - HN    GLU-  79  17.25 +/- 3.30   0.397% *  0.1341% (0.25   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    GLU-  79  11.82 +/- 1.09   0.917% *  0.0441% (0.08   0.02   0.02) =   0.001%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 804 (2.34, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.094, support = 4.32, residual support = 56.7:
      O   HB2   GLU-  79 - HN    GLU-  79   2.75 +/- 0.42  85.889% * 98.3341% (0.09  10.0   4.33  56.73) =  99.953%  kept
          HG2   PRO   52 - HN    GLU-  79  16.95 +/- 5.32   9.614% *  0.2857% (0.27   1.0   0.02   0.02) =   0.033%
          HB2   PRO   58 - HN    GLU-  79  18.27 +/- 4.45   1.233% *  0.5103% (0.49   1.0   0.02   0.02) =   0.007%
          HG3   GLU-  25 - HN    GLU-  79  17.55 +/- 4.07   0.630% *  0.4123% (0.39   1.0   0.02   0.02) =   0.003%
          HB2   GLU- 100 - HN    GLU-  79  23.27 +/- 5.83   1.609% *  0.0983% (0.09   1.0   0.02   0.02) =   0.002%
          HB3   PHE   97 - HN    GLU-  79  18.49 +/- 3.31   0.657% *  0.2174% (0.21   1.0   0.02   0.02) =   0.002%
          HB2   GLN  116 - HN    GLU-  79  22.28 +/- 4.27   0.368% *  0.1419% (0.14   1.0   0.02   0.02) =   0.001%
    Distance limit 3.31 A violated in 0 structures by 0.05 A, kept.
 
    Peak 805 (2.15, 8.02, 121.50 ppm):
    6 chemical-shift based assignments, quality = 0.588, support = 4.16, residual support = 56.7:
      O   HB3   GLU-  79 - HN    GLU-  79   2.75 +/- 0.52  92.755% * 99.6469% (0.59  10.0   4.16  56.73) =  99.994%  kept
          HB2   GLN   90 - HN    GLU-  79  13.01 +/- 3.75   4.877% *  0.0789% (0.47   1.0   0.02   0.02) =   0.004%
          QB    GLU-  36 - HN    GLU-  79  21.48 +/- 4.81   0.595% *  0.1023% (0.60   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    GLU-  79  19.51 +/- 3.13   0.432% *  0.0953% (0.56   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  79  19.14 +/- 2.96   0.490% *  0.0585% (0.35   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  79  24.61 +/- 5.41   0.851% *  0.0181% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.03 A, kept.
 
    Peak 819 (2.79, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 0.486, support = 3.95, residual support = 39.5:
      O   HB3   ASP-  78 - HN    ASP-  78   2.90 +/- 0.62  85.485% * 98.7829% (0.49  10.0   3.95  39.56) =  99.919%  kept
          QE    LYS+  74 - HN    ASP-  78   8.22 +/- 1.63   6.458% *  0.8448% (0.98   1.0   0.08   0.02) =   0.065%
          QB    CYS   50 - HN    ASP-  78  11.13 +/- 4.24   6.672% *  0.1959% (0.97   1.0   0.02   0.02) =   0.015%
          HB3   ASN   69 - HN    ASP-  78  22.02 +/- 2.95   0.413% *  0.1313% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   PHE   72 - HN    ASP-  78  14.62 +/- 1.18   0.971% *  0.0452% (0.22   1.0   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 820 (2.91, 8.52, 119.25 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 5.31, residual support = 35.5:
      O   HB2   ASP-  78 - HN    ASP-  78   2.84 +/- 0.47  59.638% * 81.8707% (0.98  10.0   5.33  39.56) =  88.424%  kept
          HB2   ASP-  76 - HN    ASP-  78   3.81 +/- 0.94  35.591% * 17.9559% (0.84   1.0   5.15   4.86) =  11.573%  kept
          QE    LYS+  65 - HN    ASP-  78  13.95 +/- 5.29   2.744% *  0.0232% (0.28   1.0   0.02   0.02) =   0.001%
          QE    LYS+  33 - HN    ASP-  78  18.71 +/- 4.85   0.809% *  0.0439% (0.53   1.0   0.02   0.02) =   0.001%
          HB2   ASN   69 - HN    ASP-  78  22.16 +/- 3.30   0.220% *  0.0607% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  78  18.29 +/- 2.80   0.291% *  0.0343% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASP-  78  12.91 +/- 1.24   0.707% *  0.0113% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 821 (3.59, 8.52, 119.25 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.75, residual support = 28.4:
      O   HA    THR   77 - HN    ASP-  78   3.51 +/- 0.08  92.128% * 99.9219% (0.92  10.0   4.75  28.45) =  99.998%  kept
          HD2   PRO   93 - HN    ASP-  78  13.35 +/- 5.17   3.965% *  0.0270% (0.25   1.0   0.02   0.02) =   0.001%
          HB2   TRP   27 - HN    ASP-  78  13.64 +/- 2.69   2.238% *  0.0270% (0.25   1.0   0.02   0.02) =   0.001%
          HA    LEU   31 - HN    ASP-  78  18.55 +/- 3.43   1.670% *  0.0241% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 822 (5.01, 8.52, 119.25 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.04, residual support = 4.86:
          HA    ASP-  76 - HN    ASP-  78   3.63 +/- 0.29  99.010% * 99.7152% (0.95   3.04   4.86) =  99.997%  kept
          HA    LEU   67 - HN    ASP-  78  18.12 +/- 2.51   0.990% *  0.2848% (0.41   0.02   0.02) =   0.003%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 823 (3.58, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.02, residual support = 37.4:
      O   HA    THR   77 - HN    THR   77   2.81 +/- 0.06  95.434% * 99.8846% (0.98  10.0   4.02  37.44) =  99.997%  kept
          HD2   PRO   93 - HN    THR   77  12.06 +/- 5.37   3.241% *  0.0577% (0.57   1.0   0.02   0.02) =   0.002%
          HB2   TRP   27 - HN    THR   77  12.75 +/- 2.11   1.325% *  0.0577% (0.57   1.0   0.02   0.02) =   0.001%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 824 (2.90, 9.27, 119.07 ppm):
    6 chemical-shift based assignments, quality = 0.944, support = 3.91, residual support = 15.0:
          HB2   ASP-  76 - HN    THR   77   4.18 +/- 0.35  59.209% * 63.3183% (1.00   4.15  10.98) =  76.861%  kept
          HB2   ASP-  78 - HN    THR   77   5.34 +/- 0.56  31.156% * 36.1964% (0.76   3.10  28.45) =  23.121%  kept
          QE    LYS+  33 - HN    THR   77  17.65 +/- 5.00   6.458% *  0.0762% (0.25   0.02   0.02) =   0.010%
          HB2   ASN   69 - HN    THR   77  20.31 +/- 2.68   0.776% *  0.2950% (0.97   0.02   0.02) =   0.005%
          QE    LYS+  66 - HN    THR   77  15.92 +/- 2.52   1.402% *  0.0605% (0.20   0.02   0.02) =   0.002%
          HB2   ASN   28 - HN    THR   77  17.48 +/- 2.39   1.000% *  0.0535% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 825 (2.24, 9.27, 119.07 ppm):
    11 chemical-shift based assignments, quality = 0.565, support = 3.62, residual support = 10.9:
          HB3   ASP-  76 - HN    THR   77   4.06 +/- 0.42  49.963% * 95.2524% (0.57   3.64  10.98) =  99.602%  kept
          HG3   MET   92 - HN    THR   77  11.98 +/- 6.18   7.070% *  0.9255% (1.00   0.02   0.02) =   0.137%  kept
          HG2   GLU- 100 - HN    THR   77  22.42 +/- 5.13   7.687% *  0.4505% (0.49   0.02   0.02) =   0.072%
          QG    GLN   90 - HN    THR   77  10.93 +/- 3.19  10.947% *  0.3157% (0.34   0.02   0.02) =   0.072%
          QG    GLU-  15 - HN    THR   77  18.88 +/- 5.63  11.017% *  0.1253% (0.14   0.02   0.02) =   0.029%
          HB2   ASP-  44 - HN    THR   77   9.44 +/- 2.78   7.076% *  0.1832% (0.20   0.02   0.02) =   0.027%
          HB2   GLU-  29 - HN    THR   77  18.34 +/- 2.92   0.972% *  0.9072% (0.98   0.02   0.02) =   0.018%
          HG12  ILE  119 - HN    THR   77  16.99 +/- 3.08   0.956% *  0.6358% (0.69   0.02   0.02) =   0.013%
          HB2   ASP- 105 - HN    THR   77  18.50 +/- 2.38   0.737% *  0.7411% (0.80   0.02   0.02) =   0.011%
          HB3   PHE   72 - HN    THR   77  13.08 +/- 1.41   1.917% *  0.2573% (0.28   0.02   0.02) =   0.010%
          QG    GLU-  14 - HN    THR   77  19.09 +/- 4.22   1.658% *  0.2061% (0.22   0.02   0.02) =   0.007%
    Distance limit 4.55 A violated in 0 structures by 0.01 A, kept.
 
    Peak 826 (1.32, 9.27, 119.07 ppm):
    9 chemical-shift based assignments, quality = 0.606, support = 4.01, residual support = 37.4:
          QG2   THR   77 - HN    THR   77   2.38 +/- 0.61  80.876% * 96.0864% (0.61   4.02  37.44) =  99.906%  kept
          HB3   LEU   80 - HN    THR   77   7.51 +/- 1.69   9.417% *  0.3242% (0.41   0.02   0.56) =   0.039%
          HG2   LYS+  38 - HN    THR   77  23.12 +/- 5.33   1.347% *  0.7610% (0.97   0.02   0.02) =   0.013%
          HG2   LYS+  99 - HN    THR   77  21.26 +/- 3.88   1.298% *  0.7072% (0.90   0.02   0.02) =   0.012%
          QB    ALA   88 - HN    THR   77  12.59 +/- 2.46   0.940% *  0.7459% (0.95   0.02   0.02) =   0.009%
          HB3   ASP-  44 - HN    THR   77   8.99 +/- 3.22   3.632% *  0.1755% (0.22   0.02   0.02) =   0.008%
          HB2   LEU   31 - HN    THR   77  17.78 +/- 3.22   0.900% *  0.4464% (0.57   0.02   0.02) =   0.005%
          HG2   LYS+ 111 - HN    THR   77  20.06 +/- 4.95   0.622% *  0.5101% (0.65   0.02   0.02) =   0.004%
          HB2   LEU   63 - HN    THR   77  12.88 +/- 2.01   0.969% *  0.2434% (0.31   0.02   0.02) =   0.003%
    Distance limit 3.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 827 (0.38, 9.27, 119.07 ppm):
    4 chemical-shift based assignments, quality = 0.874, support = 2.33, residual support = 2.48:
          QB    ALA   47 - HN    THR   77   8.92 +/- 4.88  42.092% * 64.6821% (0.90   2.56   3.05) =  77.589%  kept
          QG1   VAL   42 - HN    THR   77  10.66 +/- 1.43  22.337% * 34.8538% (0.80   1.54   0.50) =  22.187%  kept
          QB    ALA   64 - HN    THR   77   9.95 +/- 1.88  27.522% *  0.2115% (0.38   0.02   0.02) =   0.166%  kept
          HG2   LYS+ 112 - HN    THR   77  17.72 +/- 5.04   8.049% *  0.2526% (0.45   0.02   0.02) =   0.058%
    Distance limit 4.39 A violated in 13 structures by 2.50 A, kept.
 
    Peak 828 (3.72, 8.53, 128.95 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.24, residual support = 82.9:
      O   HA    VAL   75 - HN    VAL   75   2.89 +/- 0.04  84.337% * 99.8428% (0.97  10.0   5.24  82.87) =  99.993%  kept
          HA    ALA   61 - HN    VAL   75   7.54 +/- 3.02  13.594% *  0.0353% (0.34   1.0   0.02   0.02) =   0.006%
          HD3   PRO   58 - HN    VAL   75  13.97 +/- 2.65   0.960% *  0.1014% (0.98   1.0   0.02   0.02) =   0.001%
          HD2   PRO   68 - HN    VAL   75  13.03 +/- 1.78   1.108% *  0.0205% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 829 (2.28, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.837, support = 0.655, residual support = 0.843:
          HB2   ASP-  44 - HN    VAL   75   5.53 +/- 2.88  48.518% * 50.7459% (0.87   0.67   0.60) =  70.942%  kept
          HB3   PHE   72 - HN    VAL   75   7.55 +/- 1.08  23.086% * 42.1901% (0.76   0.63   1.49) =  28.065%  kept
          QG    GLU-  15 - HN    VAL   75  15.21 +/- 3.45  11.800% *  1.6474% (0.95   0.02   0.02) =   0.560%  kept
          QG    GLN   90 - HN    VAL   75  13.50 +/- 2.14   4.697% *  1.1962% (0.69   0.02   0.02) =   0.162%  kept
          QG    GLU-  14 - HN    VAL   75  15.80 +/- 3.12   3.490% *  1.4546% (0.84   0.02   0.02) =   0.146%  kept
          HG12  ILE  119 - HN    VAL   75  14.54 +/- 2.61   2.881% *  0.5940% (0.34   0.02   0.02) =   0.049%
          QB    MET   11 - HN    VAL   75  22.34 +/- 3.79   0.752% *  1.5618% (0.90   0.02   0.02) =   0.034%
          HG2   MET   92 - HN    VAL   75  14.28 +/- 3.78   2.667% *  0.3050% (0.18   0.02   0.02) =   0.023%
          HG3   GLU-  36 - HN    VAL   75  19.91 +/- 3.67   2.108% *  0.3050% (0.18   0.02   0.02) =   0.019%
    Distance limit 4.61 A violated in 0 structures by 0.24 A, kept.
 
    Peak 830 (1.43, 8.53, 128.95 ppm):
    14 chemical-shift based assignments, quality = 0.356, support = 3.6, residual support = 23.4:
          HB3   LYS+  74 - HN    VAL   75   4.37 +/- 0.28  34.273% * 39.5160% (0.20   4.47  31.89) =  72.224%  kept
          HG    LEU   73 - HN    VAL   75   7.28 +/- 0.93   8.988% * 51.8039% (0.76   1.52   1.47) =  24.831%  kept
          HG12  ILE   19 - HN    VAL   75  10.72 +/- 2.51   8.077% *  2.8082% (0.76   0.08   0.02) =   1.210%  kept
          QB    ALA   61 - HN    VAL   75   7.26 +/- 2.98  18.282% *  0.8763% (0.98   0.02   0.02) =   0.854%  kept
          HG    LEU   80 - HN    VAL   75  10.64 +/- 3.59   8.277% *  0.7754% (0.87   0.02   0.31) =   0.342%  kept
          HB3   LEU   67 - HN    VAL   75  10.13 +/- 1.90   3.395% *  0.8920% (1.00   0.02   0.02) =   0.162%  kept
          QG    LYS+  66 - HN    VAL   75  11.43 +/- 1.72   2.921% *  0.8252% (0.92   0.02   0.02) =   0.129%  kept
          HB2   LEU   80 - HN    VAL   75  10.01 +/- 2.56   5.553% *  0.3049% (0.34   0.02   0.31) =   0.090%
          QB    ALA  110 - HN    VAL   75  14.64 +/- 2.55   1.308% *  0.7467% (0.84   0.02   0.02) =   0.052%
          HG    LEU   67 - HN    VAL   75  10.61 +/- 2.06   4.299% *  0.1769% (0.20   0.02   0.02) =   0.041%
          HG    LEU   40 - HN    VAL   75  12.36 +/- 1.64   2.018% *  0.2486% (0.28   0.02   0.02) =   0.027%
          HB3   LEU  115 - HN    VAL   75  14.63 +/- 2.90   1.413% *  0.2486% (0.28   0.02   0.02) =   0.019%
          HG2   LYS+ 102 - HN    VAL   75  20.61 +/- 2.59   0.416% *  0.5783% (0.65   0.02   0.02) =   0.013%
          HD3   LYS+ 121 - HN    VAL   75  17.57 +/- 3.17   0.780% *  0.1990% (0.22   0.02   0.02) =   0.008%
    Distance limit 4.46 A violated in 0 structures by 0.01 A, kept.
 
    Peak 831 (1.26, 8.53, 128.95 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 5.86, residual support = 31.8:
          HG2   LYS+  74 - HN    VAL   75   3.36 +/- 0.75  64.586% * 93.9269% (0.45   5.88  31.89) =  99.583%  kept
          HG13  ILE   19 - HN    VAL   75  10.90 +/- 2.27   5.838% *  2.0109% (0.69   0.08   0.02) =   0.193%  kept
          QB    ALA   34 - HN    VAL   75  10.82 +/- 2.07   8.792% *  0.4892% (0.69   0.02   0.02) =   0.071%
          QG2   THR   39 - HN    VAL   75  12.23 +/- 2.05   3.192% *  0.6873% (0.97   0.02   0.02) =   0.036%
          HG    LEU   71 - HN    VAL   75  12.28 +/- 2.05   6.141% *  0.2928% (0.41   0.02   0.02) =   0.030%
          QG2   ILE   56 - HN    VAL   75  11.88 +/- 1.83   2.639% *  0.6178% (0.87   0.02   0.02) =   0.027%
          QB    ALA   91 - HN    VAL   75  12.88 +/- 2.08   1.858% *  0.6873% (0.97   0.02   0.02) =   0.021%
          QG2   THR   23 - HN    VAL   75  10.49 +/- 1.28   4.201% *  0.2429% (0.34   0.02   0.02) =   0.017%
          HG3   LYS+  38 - HN    VAL   75  18.88 +/- 3.35   1.361% *  0.6981% (0.98   0.02   0.02) =   0.016%
          HG3   LYS+  99 - HN    VAL   75  17.82 +/- 2.69   1.391% *  0.3467% (0.49   0.02   0.02) =   0.008%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 832 (1.00, 8.53, 128.95 ppm):
    6 chemical-shift based assignments, quality = 0.926, support = 4.53, residual support = 80.6:
      O   HB    VAL   75 - HN    VAL   75   2.54 +/- 0.50  70.318% * 85.6536% (0.95  10.0   4.44  82.87) =  95.583%  kept
          HG3   LYS+  74 - HN    VAL   75   4.62 +/- 0.74  19.651% * 14.1340% (0.49   1.0   6.41  31.89) =   4.408%  kept
          QD1   LEU   67 - HN    VAL   75   7.54 +/- 1.51   6.538% *  0.0658% (0.73   1.0   0.02   0.02) =   0.007%
          QD2   LEU   40 - HN    VAL   75  10.64 +/- 1.54   1.653% *  0.0692% (0.76   1.0   0.02   0.02) =   0.002%
          QG2   ILE  103 - HN    VAL   75  13.16 +/- 2.45   0.874% *  0.0549% (0.61   1.0   0.02   0.02) =   0.001%
          QD1   ILE  119 - HN    VAL   75  12.12 +/- 2.44   0.967% *  0.0226% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 833 (0.76, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.548, support = 1.42, residual support = 1.22:
          QD2   LEU   73 - HN    VAL   75   5.91 +/- 1.17  20.422% * 60.6858% (0.41   2.07   1.47) =  63.565%  kept
          QG2   THR   46 - HN    VAL   75   6.95 +/- 2.86  21.797% * 17.9781% (0.69   0.37   1.44) =  20.099%  kept
          QG1   VAL   43 - HN    VAL   75   6.81 +/- 2.39  17.461% * 15.3715% (0.97   0.22   0.02) =  13.766%  kept
          QD1   ILE   19 - HN    VAL   75   9.51 +/- 2.13   9.608% *  1.9972% (0.34   0.08   0.02) =   0.984%  kept
          QG2   VAL   18 - HN    VAL   75   6.95 +/- 1.93  16.402% *  1.1406% (0.80   0.02   0.02) =   0.960%  kept
          QG1   VAL   41 - HN    VAL   75   9.71 +/- 1.61   5.434% *  1.4213% (1.00   0.02   0.02) =   0.396%  kept
          HG    LEU   31 - HN    VAL   75  11.69 +/- 2.37   3.636% *  0.8065% (0.57   0.02   0.02) =   0.150%  kept
          QD1   ILE   56 - HN    VAL   75  11.70 +/- 2.30   3.176% *  0.2819% (0.20   0.02   0.02) =   0.046%
          QD2   LEU  104 - HN    VAL   75  14.26 +/- 2.10   2.064% *  0.3171% (0.22   0.02   0.02) =   0.034%
    Distance limit 4.48 A violated in 0 structures by 0.12 A, kept.
 
    Peak 834 (0.45, 8.53, 128.95 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.24, residual support = 82.9:
          QG1   VAL   75 - HN    VAL   75   3.21 +/- 0.54  95.650% * 99.6848% (0.92   5.24  82.87) =  99.986%  kept
          QD1   LEU  115 - HN    VAL   75  11.44 +/- 2.42   4.350% *  0.3152% (0.76   0.02   0.02) =   0.014%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 835 (0.11, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 4.97, residual support = 82.8:
          QG2   VAL   75 - HN    VAL   75   3.24 +/- 0.53  83.183% * 99.5143% (0.49   4.97  82.87) =  99.950%  kept
          QG2   VAL   42 - HN    VAL   75   7.99 +/- 1.48   8.722% *  0.2806% (0.34   0.02   0.02) =   0.030%
          QD1   ILE   89 - HN    VAL   75   8.33 +/- 1.97   8.095% *  0.2051% (0.25   0.02   0.02) =   0.020%
    Distance limit 3.92 A violated in 0 structures by 0.01 A, kept.
 
    Peak 836 (1.41, 8.48, 121.30 ppm):
    14 chemical-shift based assignments, quality = 0.688, support = 4.39, residual support = 181.8:
      O   HB3   LYS+  74 - HN    LYS+  74   2.70 +/- 0.42  44.995% * 90.2716% (0.71  10.0   4.36 186.90) =  96.574%  kept
          HB3   LEU   73 - HN    LYS+  74   3.22 +/- 0.97  33.485% *  3.8445% (0.11   1.0   5.51  42.48) =   3.061%  kept
          HG12  ILE   19 - HN    LYS+  74   7.98 +/- 2.34   2.747% *  5.3769% (0.43   1.0   1.96   8.22) =   0.351%  kept
          QB    ALA   61 - HN    LYS+  74   7.90 +/- 2.23   7.009% *  0.0279% (0.22   1.0   0.02   0.02) =   0.005%
          HB2   LEU   80 - HN    LYS+  74  11.77 +/- 2.94   0.995% *  0.0873% (0.68   1.0   0.02   0.02) =   0.002%
          HB    VAL   42 - HN    LYS+  74   9.33 +/- 1.96   3.470% *  0.0179% (0.14   1.0   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LYS+  74  12.88 +/- 2.42   0.705% *  0.0785% (0.61   1.0   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    LYS+  74  12.17 +/- 4.16   1.234% *  0.0440% (0.34   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HN    LYS+  74  10.33 +/- 2.52   2.278% *  0.0179% (0.14   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LYS+  74  10.07 +/- 2.12   1.628% *  0.0179% (0.14   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    LYS+  74  17.89 +/- 4.09   0.289% *  0.0905% (0.71   1.0   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    LYS+  74  16.31 +/- 3.01   0.284% *  0.0549% (0.43   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  74  16.76 +/- 2.28   0.291% *  0.0476% (0.37   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  74  12.34 +/- 1.88   0.589% *  0.0226% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.01 A, kept.
 
    Peak 837 (0.80, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.197, support = 5.98, residual support = 42.4:
          QD2   LEU   73 - HN    LYS+  74   4.02 +/- 0.43  85.490% * 97.3575% (0.20   5.99  42.48) =  99.908%  kept
          QD1   ILE   56 - HN    LYS+  74  13.14 +/- 2.73   4.535% *  0.6156% (0.37   0.02   0.02) =   0.034%
          HG3   LYS+ 121 - HN    LYS+  74  18.68 +/- 4.18   1.833% *  1.1597% (0.70   0.02   0.02) =   0.026%
          QD2   LEU  123 - HN    LYS+  74  16.94 +/- 3.03   2.270% *  0.6624% (0.40   0.02   0.02) =   0.018%
          HG    LEU   31 - HN    LYS+  74  10.51 +/- 1.28   5.872% *  0.2049% (0.12   0.02   0.02) =   0.014%
    Distance limit 3.87 A violated in 0 structures by 0.27 A, kept.
 
    Peak 838 (1.70, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.635, support = 5.75, residual support = 42.5:
          HB2   LEU   73 - HN    LYS+  74   3.14 +/- 0.73  88.660% * 97.9743% (0.64   5.75  42.48) =  99.968%  kept
          QD    LYS+  99 - HN    LYS+  74  16.08 +/- 3.21   2.009% *  0.3793% (0.71   0.02   0.02) =   0.009%
          QG1   ILE   56 - HN    LYS+  74  13.43 +/- 2.62   2.518% *  0.2152% (0.40   0.02   0.02) =   0.006%
          QD    LYS+ 106 - HN    LYS+  74  14.88 +/- 2.56   1.246% *  0.3768% (0.70   0.02   0.02) =   0.005%
          HB3   MET   92 - HN    LYS+  74  16.26 +/- 2.46   1.205% *  0.2905% (0.54   0.02   0.02) =   0.004%
          HB3   LYS+  99 - HN    LYS+  74  17.23 +/- 3.04   1.128% *  0.1704% (0.32   0.02   0.02) =   0.002%
          HG3   PRO   93 - HN    LYS+  74  16.57 +/- 2.71   1.248% *  0.1297% (0.24   0.02   0.02) =   0.002%
          HB2   LEU  123 - HN    LYS+  74  20.50 +/- 4.03   0.825% *  0.1427% (0.27   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    LYS+  74  22.93 +/- 2.88   0.408% *  0.2459% (0.46   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    LYS+  74  19.19 +/- 2.84   0.753% *  0.0752% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 839 (1.82, 8.48, 121.30 ppm):
    9 chemical-shift based assignments, quality = 0.558, support = 0.02, residual support = 0.0454:
          HB    VAL   41 - HN    LYS+  74  10.08 +/- 2.55  20.621% * 15.4986% (0.71   0.02   0.02) =  29.992%  kept
          QB    LYS+  66 - HN    LYS+  74  11.32 +/- 1.23  11.363% * 14.9905% (0.68   0.02   0.02) =  15.984%  kept
          QB    LYS+  65 - HN    LYS+  74   9.28 +/- 1.69  22.259% *  6.3858% (0.29   0.02   0.02) =  13.339%  kept
          HG12  ILE  103 - HN    LYS+  74  15.65 +/- 3.20   7.671% * 14.6936% (0.67   0.02   0.02) =  10.578%  kept
          HB2   LEU   71 - HN    LYS+  74  10.02 +/- 1.22  17.890% *  5.8297% (0.27   0.02   0.28) =   9.787%  kept
          HG2   PRO   93 - HN    LYS+  74  16.89 +/- 2.73   6.938% * 11.8708% (0.54   0.02   0.02) =   7.729%  kept
          HG    LEU  123 - HN    LYS+  74  19.57 +/- 3.77   5.434% * 11.2793% (0.51   0.02   0.02) =   5.752%  kept
          QB    LYS+ 102 - HN    LYS+  74  18.10 +/- 2.99   4.950% *  8.1723% (0.37   0.02   0.02) =   3.797%  kept
          HB3   PRO   52 - HN    LYS+  74  19.94 +/- 2.67   2.874% * 11.2793% (0.51   0.02   0.02) =   3.042%  kept
    Distance limit 4.61 A violated in 19 structures by 2.70 A, eliminated.
    Peak unassigned.
 
    Peak 840 (2.28, 8.95, 120.59 ppm):
    9 chemical-shift based assignments, quality = 0.77, support = 5.25, residual support = 41.7:
          HB3   PHE   72 - HN    LEU   73   3.44 +/- 0.65  74.393% * 72.1526% (0.76   5.47  44.07) =  94.257%  kept
          HB2   ASP-  44 - HN    LEU   73   7.37 +/- 1.86  12.249% * 26.4466% (0.87   1.77   2.88) =   5.689%  kept
          QG    GLU-  15 - HN    LEU   73  12.31 +/- 3.29   4.768% *  0.3267% (0.95   0.02   0.02) =   0.027%
          QG    GLU-  14 - HN    LEU   73  13.79 +/- 3.45   2.461% *  0.2884% (0.84   0.02   0.02) =   0.012%
          QG    GLN   90 - HN    LEU   73  16.13 +/- 2.94   1.252% *  0.2372% (0.69   0.02   0.02) =   0.005%
          QB    MET   11 - HN    LEU   73  20.42 +/- 3.88   0.612% *  0.3097% (0.90   0.02   0.02) =   0.003%
          HG3   GLU-  36 - HN    LEU   73  15.44 +/- 3.20   2.383% *  0.0605% (0.18   0.02   0.02) =   0.003%
          HG12  ILE  119 - HN    LEU   73  15.68 +/- 3.37   1.133% *  0.1178% (0.34   0.02   0.02) =   0.002%
          HG2   MET   92 - HN    LEU   73  17.80 +/- 2.87   0.748% *  0.0605% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 841 (1.69, 8.95, 120.59 ppm):
    11 chemical-shift based assignments, quality = 0.991, support = 6.27, residual support = 170.6:
      O   HB2   LEU   73 - HN    LEU   73   3.41 +/- 0.25  77.717% * 99.3783% (0.99  10.0   6.27 170.59) =  99.983%  kept
          HG3   PRO   93 - HN    LEU   73  16.92 +/- 3.62   7.487% *  0.0689% (0.69   1.0   0.02   0.02) =   0.007%
          QD    LYS+  99 - HN    LEU   73  13.79 +/- 3.49   2.475% *  0.0870% (0.87   1.0   0.02   0.02) =   0.003%
          QD    LYS+ 106 - HN    LEU   73  13.59 +/- 2.31   1.772% *  0.0899% (0.90   1.0   0.02   0.02) =   0.002%
          HB3   MET   92 - HN    LEU   73  16.82 +/- 2.91   1.385% *  0.0994% (0.99   1.0   0.02   0.02) =   0.002%
          QG1   ILE   56 - HN    LEU   73  13.66 +/- 3.11   3.708% *  0.0250% (0.25   1.0   0.02   0.02) =   0.001%
          HB2   LEU  123 - HN    LEU   73  20.38 +/- 3.86   0.874% *  0.0728% (0.73   1.0   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    LEU   73  17.19 +/- 2.93   0.878% *  0.0488% (0.49   1.0   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    LEU   73  22.56 +/- 3.38   0.388% *  0.0948% (0.95   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU   73  13.52 +/- 2.27   1.939% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LEU   73  14.73 +/- 3.13   1.378% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 842 (1.40, 8.95, 120.59 ppm):
    15 chemical-shift based assignments, quality = 0.451, support = 6.22, residual support = 152.4:
      O   HB3   LEU   73 - HN    LEU   73   3.04 +/- 0.42  51.508% * 59.9303% (0.41  10.0   6.55 170.59) =  87.318%  kept
          HB3   LYS+  74 - HN    LEU   73   6.19 +/- 0.87  10.077% * 28.2781% (0.87   1.0   4.47  42.48) =   8.060%  kept
          HB    VAL   42 - HN    LEU   73   6.61 +/- 1.83  14.849% * 10.9022% (0.49   1.0   3.07   0.49) =   4.579%  kept
          HG12  ILE   19 - HN    LEU   73   7.21 +/- 3.37   9.489% *  0.0405% (0.28   1.0   0.02   5.31) =   0.011%
          HG3   LYS+  33 - HN    LEU   73  10.13 +/- 2.73   4.650% *  0.0825% (0.57   1.0   0.02   0.02) =   0.011%
          QB    LEU   98 - HN    LEU   73  10.89 +/- 2.70   1.849% *  0.1455% (1.00   1.0   0.02   0.02) =   0.008%
          HB2   LEU   80 - HN    LEU   73  13.16 +/- 3.50   1.400% *  0.1001% (0.69   1.0   0.02   0.02) =   0.004%
          HG3   LYS+  65 - HN    LEU   73  11.57 +/- 1.40   1.148% *  0.0710% (0.49   1.0   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    LEU   73  13.64 +/- 4.79   2.371% *  0.0288% (0.20   1.0   0.02   0.02) =   0.002%
          QB    ALA   12 - HN    LEU   73  16.50 +/- 3.03   0.497% *  0.1346% (0.92   1.0   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HN    LEU   73  17.30 +/- 4.00   0.408% *  0.1218% (0.84   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    LEU   73  14.24 +/- 2.23   0.598% *  0.0325% (0.22   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    LEU   73  16.58 +/- 2.47   0.551% *  0.0325% (0.22   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    LEU   73  20.00 +/- 4.10   0.345% *  0.0450% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   73  19.09 +/- 3.60   0.260% *  0.0547% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.01 A, kept.
 
    Peak 843 (0.78, 8.95, 120.59 ppm):
    7 chemical-shift based assignments, quality = 0.971, support = 8.02, residual support = 168.1:
          QD2   LEU   73 - HN    LEU   73   1.96 +/- 0.45  76.176% * 85.4502% (0.98   8.09 170.59) =  98.516%  kept
          QG1   VAL   43 - HN    LEU   73   6.82 +/- 2.27   6.943% * 13.1870% (0.38   3.26   2.38) =   1.386%  kept
          QG1   VAL   41 - HN    LEU   73   6.26 +/- 2.21   6.400% *  0.8788% (0.57   0.14   0.02) =   0.085%
          HG    LEU   31 - HN    LEU   73   8.09 +/- 2.12   1.914% *  0.2150% (1.00   0.02   1.88) =   0.006%
          QG2   VAL   18 - HN    LEU   73   6.45 +/- 2.15   7.692% *  0.0426% (0.20   0.02   0.75) =   0.005%
          QD1   ILE   56 - HN    LEU   73  13.40 +/- 2.94   0.676% *  0.1726% (0.80   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - HN    LEU   73  18.06 +/- 4.05   0.198% *  0.0537% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 844 (0.57, 8.95, 120.59 ppm):
    8 chemical-shift based assignments, quality = 0.581, support = 5.63, residual support = 150.0:
          QD1   LEU   73 - HN    LEU   73   3.53 +/- 0.62  46.693% * 60.6404% (0.57   6.26 170.59) =  87.920%  kept
          QG2   VAL   41 - HN    LEU   73   6.05 +/- 2.11  21.918% *  7.9886% (0.61   0.77   0.02) =   5.437%  kept
          QD1   LEU   63 - HN    LEU   73   8.56 +/- 1.70   7.588% * 15.4242% (0.57   1.59   0.02) =   3.634%  kept
          QD2   LEU   63 - HN    LEU   73   8.86 +/- 1.91   6.121% * 15.5039% (1.00   0.91   0.02) =   2.947%  kept
          QD1   LEU   80 - HN    LEU   73  11.70 +/- 4.75   5.118% *  0.1407% (0.41   0.02   0.02) =   0.022%
          QD2   LEU   98 - HN    LEU   73   9.77 +/- 2.98   5.065% *  0.1407% (0.41   0.02   0.02) =   0.022%
          QD2   LEU   80 - HN    LEU   73  11.20 +/- 4.16   5.764% *  0.0762% (0.22   0.02   0.02) =   0.014%
          QD2   LEU  115 - HN    LEU   73  13.22 +/- 2.93   1.733% *  0.0853% (0.25   0.02   0.02) =   0.005%
    Distance limit 4.36 A violated in 0 structures by 0.02 A, kept.
 
    Peak 845 (0.39, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.696, support = 2.98, residual support = 3.77:
          QB    ALA   64 - HN    LEU   73   5.12 +/- 0.63  52.547% * 86.6118% (0.73   3.25   4.18) =  89.014%  kept
          QG1   VAL   42 - HN    LEU   73   5.92 +/- 2.11  43.633% * 12.8435% (0.45   0.78   0.49) =  10.961%  kept
          QB    ALA   47 - HN    LEU   73  14.44 +/- 1.60   2.758% *  0.4160% (0.57   0.02   0.02) =   0.022%
          HG2   LYS+ 112 - HN    LEU   73  19.86 +/- 4.61   1.062% *  0.1287% (0.18   0.02   0.02) =   0.003%
    Distance limit 4.74 A violated in 0 structures by 0.22 A, kept.
 
    Peak 846 (0.07, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.293, support = 1.51, residual support = 2.31:
          QG2   VAL   43 - HN    LEU   73   6.44 +/- 2.21  36.627% * 90.2910% (0.25   1.62   2.38) =  93.252%  kept
          QD2   LEU   31 - HN    LEU   73   6.09 +/- 1.61  38.964% *  4.4650% (1.00   0.02   1.88) =   4.906%  kept
          QG2   VAL   83 - HN    LEU   73  10.57 +/- 2.59  13.287% *  3.2422% (0.73   0.02   0.02) =   1.215%  kept
          QD1   ILE   89 - HN    LEU   73  10.14 +/- 1.53  11.123% *  2.0018% (0.45   0.02   0.02) =   0.628%  kept
    Distance limit 4.61 A violated in 3 structures by 0.52 A, kept.
 
    Peak 847 (2.84, 9.36, 127.59 ppm):
    4 chemical-shift based assignments, quality = 0.578, support = 4.7, residual support = 85.0:
      O   HB2   PHE   72 - HN    PHE   72   3.48 +/- 0.42  60.429% * 79.5658% (0.53  10.0   4.96  90.14) =  88.141%  kept
          HA    ALA   64 - HN    PHE   72   4.61 +/- 0.73  31.730% * 20.3810% (0.97   1.0   2.79  46.98) =  11.855%  kept
          HB3   ASN   35 - HN    PHE   72  13.86 +/- 2.30   4.440% *  0.0299% (0.20   1.0   0.02   0.02) =   0.002%
          HB3   ASN   69 - HN    PHE   72   9.21 +/- 0.69   3.401% *  0.0233% (0.15   1.0   0.02   0.02) =   0.001%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 848 (2.28, 9.36, 127.59 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.24, residual support = 90.1:
      O   HB3   PHE   72 - HN    PHE   72   3.35 +/- 0.31  80.569% * 99.3598% (0.76  10.0   5.25  90.14) =  99.976%  kept
          HB2   ASP-  44 - HN    PHE   72   8.27 +/- 1.42   8.097% *  0.1128% (0.87   1.0   0.02   0.02) =   0.011%
          QG    GLU-  15 - HN    PHE   72  11.15 +/- 3.66   3.803% *  0.1230% (0.95   1.0   0.02   0.02) =   0.006%
          QG    GLU-  14 - HN    PHE   72  12.98 +/- 4.00   2.216% *  0.1086% (0.84   1.0   0.02   0.02) =   0.003%
          QG    GLN   90 - HN    PHE   72  18.20 +/- 3.08   0.956% *  0.0893% (0.69   1.0   0.02   0.02) =   0.001%
          QB    MET   11 - HN    PHE   72  19.58 +/- 3.83   0.546% *  0.1166% (0.90   1.0   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    PHE   72  15.12 +/- 2.46   1.321% *  0.0443% (0.34   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    PHE   72  14.99 +/- 3.09   1.784% *  0.0228% (0.18   1.0   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    PHE   72  19.34 +/- 2.93   0.708% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 849 (1.24, 9.36, 127.59 ppm):
    10 chemical-shift based assignments, quality = 0.984, support = 3.81, residual support = 18.4:
          HG    LEU   71 - HN    PHE   72   5.11 +/- 0.50  34.078% * 89.6261% (0.99   3.95  19.10) =  96.256%  kept
          QG2   THR   39 - HN    PHE   72   7.28 +/- 2.12  18.232% *  3.4161% (0.65   0.23   0.02) =   1.963%  kept
          HG2   LYS+  74 - HN    PHE   72   8.81 +/- 1.22   8.195% *  5.1527% (1.00   0.23   1.41) =   1.331%  kept
          HG13  ILE   19 - HN    PHE   72   7.04 +/- 3.65  27.683% *  0.4330% (0.95   0.02   0.02) =   0.378%  kept
          HG3   LYS+  99 - HN    PHE   72  15.55 +/- 4.43   1.751% *  0.4578% (1.00   0.02   0.02) =   0.025%
          QG2   ILE   56 - HN    PHE   72  13.78 +/- 2.71   5.401% *  0.1019% (0.22   0.02   0.02) =   0.017%
          HG3   LYS+  38 - HN    PHE   72  13.82 +/- 1.62   1.828% *  0.1718% (0.38   0.02   0.02) =   0.010%
          QB    ALA   91 - HN    PHE   72  16.87 +/- 1.64   1.045% *  0.2961% (0.65   0.02   0.02) =   0.010%
          HG12  ILE   89 - HN    PHE   72  16.42 +/- 1.93   1.251% *  0.1882% (0.41   0.02   0.02) =   0.007%
          HG3   LYS+ 111 - HN    PHE   72  22.34 +/- 3.20   0.535% *  0.1562% (0.34   0.02   0.02) =   0.003%
    Distance limit 4.28 A violated in 0 structures by 0.20 A, kept.
 
    Peak 850 (0.96, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.921, support = 4.96, residual support = 19.7:
          QD2   LEU   71 - HN    PHE   72   3.85 +/- 0.17  42.912% * 89.4946% (0.97   5.23  19.10) =  93.205%  kept
          QD1   LEU   67 - HN    PHE   72   4.53 +/- 1.61  35.982% *  7.4603% (0.31   1.36  28.53) =   6.515%  kept
          HG3   LYS+  74 - HN    PHE   72   9.42 +/- 1.34   4.279% *  2.1046% (0.53   0.23   1.41) =   0.219%  kept
          QD2   LEU   40 - HN    PHE   72   6.90 +/- 1.13  11.680% *  0.0986% (0.28   0.02   0.02) =   0.028%
          QG2   ILE  119 - HN    PHE   72  13.33 +/- 2.35   1.642% *  0.3422% (0.97   0.02   0.02) =   0.014%
          QD1   ILE  103 - HN    PHE   72  14.04 +/- 2.98   1.552% *  0.3538% (1.00   0.02   0.02) =   0.013%
          QG2   ILE  103 - HN    PHE   72  13.61 +/- 2.60   1.953% *  0.1458% (0.41   0.02   0.02) =   0.007%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 852 (2.20, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 6.19, residual support = 33.5:
          HB    VAL   70 - HN    LEU   71   4.31 +/- 0.29  70.133% * 97.9683% (0.98   6.21  33.57) =  99.670%  kept
          QG    GLN   17 - HN    LEU   71   9.58 +/- 4.37  16.348% *  1.2865% (1.00   0.08   0.02) =   0.305%  kept
          HB2   MET   96 - HN    LEU   71  14.48 +/- 2.87   2.518% *  0.2084% (0.65   0.02   0.02) =   0.008%
          HB2   LYS+  38 - HN    LEU   71  11.05 +/- 1.72   5.453% *  0.0895% (0.28   0.02   0.02) =   0.007%
          HB2   GLU-  25 - HN    LEU   71  18.75 +/- 2.15   1.273% *  0.3192% (0.99   0.02   0.02) =   0.006%
          HG2   GLU- 100 - HN    LEU   71  16.10 +/- 6.45   2.831% *  0.0717% (0.22   0.02   0.02) =   0.003%
          HB3   ASP-  76 - HN    LEU   71  16.50 +/- 2.02   1.444% *  0.0564% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.46 A violated in 0 structures by 0.02 A, kept.
 
    Peak 853 (1.81, 8.15, 128.27 ppm):
    8 chemical-shift based assignments, quality = 0.979, support = 6.31, residual support = 138.7:
      O   HB2   LEU   71 - HN    LEU   71   2.62 +/- 0.46  85.048% * 96.5894% (0.98  10.0   6.32 139.00) =  99.780%  kept
          HB    VAL   41 - HN    LEU   71   7.87 +/- 2.32   5.873% *  2.9802% (0.45   1.0   1.35   0.79) =   0.213%  kept
          HB3   GLN   17 - HN    LEU   71  10.61 +/- 4.68   3.716% *  0.0518% (0.53   1.0   0.02   0.02) =   0.002%
          QB    LYS+  65 - HN    LEU   71  10.45 +/- 1.00   1.942% *  0.0977% (0.99   1.0   0.02   0.02) =   0.002%
          QB    LYS+  66 - HN    LEU   71  10.10 +/- 0.66   1.816% *  0.0637% (0.65   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HN    LEU   71  16.89 +/- 4.93   0.518% *  0.0983% (1.00   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    LEU   71  20.34 +/- 3.54   0.390% *  0.0884% (0.90   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   71  15.87 +/- 4.53   0.697% *  0.0304% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.02 A, kept.
 
    Peak 855 (1.24, 8.15, 128.27 ppm):
    10 chemical-shift based assignments, quality = 0.985, support = 5.61, residual support = 130.6:
          HG    LEU   71 - HN    LEU   71   3.44 +/- 0.44  46.967% * 80.1383% (0.99   5.90 139.00) =  93.902%  kept
          HG13  ILE   19 - HN    LEU   71   8.59 +/- 4.08  11.237% * 17.3986% (0.95   1.34   0.72) =   4.877%  kept
          QG2   THR   39 - HN    LEU   71   5.22 +/- 2.63  34.944% *  1.3683% (0.65   0.15   0.14) =   1.193%  kept
          HG3   LYS+  99 - HN    LEU   71  14.45 +/- 6.59   1.409% *  0.2741% (1.00   0.02   0.02) =   0.010%
          HG2   LYS+  74 - HN    LEU   71  12.51 +/- 1.25   1.128% *  0.2734% (1.00   0.02   0.28) =   0.008%
          HG3   LYS+  38 - HN    LEU   71  11.45 +/- 1.63   1.502% *  0.1029% (0.38   0.02   0.02) =   0.004%
          QG2   ILE   56 - HN    LEU   71  15.42 +/- 3.11   1.572% *  0.0610% (0.22   0.02   0.02) =   0.002%
          QB    ALA   91 - HN    LEU   71  18.44 +/- 2.71   0.535% *  0.1773% (0.65   0.02   0.02) =   0.002%
          HG12  ILE   89 - HN    LEU   71  18.35 +/- 2.92   0.474% *  0.1127% (0.41   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    LEU   71  23.65 +/- 3.59   0.231% *  0.0935% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.33 A violated in 0 structures by 0.09 A, kept.
 
    Peak 856 (0.86, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.895, support = 5.94, residual support = 94.4:
          QD1   LEU   71 - HN    LEU   71   3.20 +/- 0.80  50.321% * 42.2806% (0.84   6.19 139.00) =  58.696%  kept
          QG1   VAL   70 - HN    LEU   71   4.17 +/- 0.35  28.909% * 47.8486% (0.98   5.97  33.57) =  38.161%  kept
          QG1   VAL   18 - HN    LEU   71   7.52 +/- 3.19  15.593% *  6.7961% (1.00   0.83   0.02) =   2.924%  kept
          HB3   LEU   63 - HN    LEU   71   9.48 +/- 1.07   2.727% *  2.8261% (0.69   0.50   0.02) =   0.213%  kept
          QD1   LEU  123 - HN    LEU   71  14.85 +/- 3.43   1.335% *  0.1365% (0.84   0.02   0.02) =   0.005%
          HB3   LEU  104 - HN    LEU   71  15.73 +/- 4.81   0.814% *  0.0796% (0.49   0.02   0.02) =   0.002%
          QG1   VAL  108 - HN    LEU   71  19.01 +/- 2.50   0.302% *  0.0324% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 857 (0.19, 8.15, 128.27 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 6.32, residual support = 33.6:
          QG2   VAL   70 - HN    LEU   71   3.10 +/- 0.34 100.000% *100.0000% (0.73   6.32  33.57) = 100.000%  kept
    Distance limit 3.26 A violated in 0 structures by 0.03 A, kept.
 
    Peak 858 (2.19, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 4.74, residual support = 81.1:
      O   HB    VAL   70 - HN    VAL   70   2.77 +/- 0.31  90.725% * 99.6297% (0.76  10.0   4.74  81.07) =  99.990%  kept
          QG    GLN   17 - HN    VAL   70  10.15 +/- 4.70   6.886% *  0.1089% (0.84   1.0   0.02   0.02) =   0.008%
          HB2   LYS+  38 - HN    VAL   70  13.64 +/- 1.63   0.999% *  0.0738% (0.57   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HN    VAL   70  20.90 +/- 2.73   0.339% *  0.1203% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    VAL   70  15.65 +/- 2.75   0.751% *  0.0445% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   70  20.00 +/- 2.03   0.301% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 859 (1.44, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.822, support = 0.621, residual support = 6.53:
          HB3   LEU   67 - HN    VAL   70   4.00 +/- 0.68  40.415% * 28.7565% (0.87   0.60   0.02) =  71.511%  kept
          HG    LEU   40 - HN    VAL   70   7.08 +/- 1.07   9.832% * 30.0711% (0.61   0.90  35.70) =  18.192%  kept
          QG    LYS+  66 - HN    VAL   70   7.90 +/- 1.03   8.819% * 10.2758% (0.98   0.19   0.02) =   5.576%  kept
          HG    LEU   73 - HN    VAL   70  11.62 +/- 0.94   1.951% * 23.4284% (0.99   0.43   0.75) =   2.813%  kept
          HG    LEU   67 - HN    VAL   70   4.87 +/- 1.34  28.327% *  0.5337% (0.49   0.02   0.02) =   0.930%  kept
          HG12  ILE   19 - HN    VAL   70  10.86 +/- 3.57   3.043% *  3.3256% (0.41   0.15   0.13) =   0.623%  kept
          QB    ALA   61 - HN    VAL   70   9.57 +/- 1.67   4.975% *  0.7962% (0.73   0.02   0.02) =   0.244%  kept
          HB3   LEU  115 - HN    VAL   70  17.26 +/- 2.66   0.868% *  0.6650% (0.61   0.02   0.02) =   0.036%
          HG2   LYS+ 102 - HN    VAL   70  21.44 +/- 5.59   0.513% *  1.0372% (0.95   0.02   0.02) =   0.033%
          HG    LEU   80 - HN    VAL   70  20.25 +/- 4.41   0.692% *  0.5769% (0.53   0.02   0.02) =   0.025%
          QB    ALA  110 - HN    VAL   70  18.20 +/- 3.13   0.564% *  0.5337% (0.49   0.02   0.02) =   0.019%
    Distance limit 4.36 A violated in 0 structures by 0.02 A, kept.
 
    Peak 860 (0.86, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.932, support = 4.95, residual support = 75.4:
          QG1   VAL   70 - HN    VAL   70   2.41 +/- 0.49  74.084% * 53.1678% (0.92   5.07  81.07) =  88.038%  kept
          QD1   LEU   71 - HN    VAL   70   5.34 +/- 0.96  11.545% * 46.1481% (1.00   4.06  33.57) =  11.908%  kept
          QG1   VAL   18 - HN    VAL   70   8.00 +/- 3.41   9.393% *  0.1897% (0.84   0.02   0.02) =   0.040%
          HB3   LEU   63 - HN    VAL   70   7.59 +/- 1.39   3.260% *  0.0775% (0.34   0.02   0.02) =   0.006%
          QD1   LEU  123 - HN    VAL   70  13.20 +/- 3.56   1.076% *  0.2272% (1.00   0.02   0.02) =   0.005%
          HB3   LEU  104 - HN    VAL   70  16.34 +/- 5.19   0.641% *  0.1897% (0.84   0.02   0.02) =   0.003%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 861 (0.18, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.32, residual support = 81.1:
          QG2   VAL   70 - HN    VAL   70   3.75 +/- 0.12 100.000% *100.0000% (0.98   4.32  81.07) = 100.000%  kept
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 862 (2.90, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.55, support = 2.95, residual support = 60.7:
      O   HB2   ASN   69 - HD22  ASN   69   3.89 +/- 0.29  87.779% * 99.7633% (0.55  10.0   2.95  60.69) =  99.996%  kept
          QE    LYS+  66 - HD22  ASN   69  10.97 +/- 2.14   6.502% *  0.0227% (0.12   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  76 - HD22  ASN   69  20.76 +/- 2.70   0.943% *  0.1018% (0.56   1.0   0.02   0.02) =   0.001%
          QE    LYS+  33 - HD22  ASN   69  14.72 +/- 3.76   3.652% *  0.0227% (0.12   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD22  ASN   69  24.41 +/- 3.08   0.535% *  0.0739% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD22  ASN   69  21.68 +/- 2.05   0.589% *  0.0157% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 863 (0.86, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.554, support = 2.85, residual support = 22.0:
          QG1   VAL   70 - HD22  ASN   69   4.86 +/- 1.18  38.818% * 79.2545% (0.56   3.26  26.32) =  83.432%  kept
          QD1   LEU   71 - HD22  ASN   69   6.42 +/- 2.17  31.146% * 19.2418% (0.53   0.83   0.25) =  16.253%  kept
          QG1   VAL   18 - HD22  ASN   69  10.70 +/- 4.09  11.839% *  0.4705% (0.54   0.02   0.02) =   0.151%  kept
          QD1   LEU  123 - HD22  ASN   69  13.73 +/- 4.78   5.115% *  0.4612% (0.53   0.02   0.02) =   0.064%
          HB3   LEU   63 - HD22  ASN   69  10.38 +/- 2.85   7.338% *  0.2565% (0.30   0.02   0.02) =   0.051%
          HB3   LEU  104 - HD22  ASN   69  17.16 +/- 7.23   5.744% *  0.3154% (0.36   0.02   0.02) =   0.049%
    Distance limit 4.42 A violated in 0 structures by 0.03 A, kept.
 
    Peak 864 (4.99, 8.82, 114.58 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.95, residual support = 2.95:
          HA    LEU   67 - HN    ASN   69   3.88 +/- 0.73 100.000% *100.0000% (0.92   2.95   2.95) = 100.000%  kept
    Distance limit 4.76 A violated in 0 structures by 0.07 A, kept.
 
    Peak 865 (3.74, 8.82, 114.58 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.97, residual support = 31.1:
          HD2   PRO   68 - HN    ASN   69   2.90 +/- 0.72  92.902% * 99.1835% (0.80   5.97  31.07) =  99.973%  kept
          HA    ALA   61 - HN    ASN   69  10.73 +/- 1.56   5.347% *  0.3924% (0.95   0.02   0.02) =   0.023%
          HD3   PRO   58 - HN    ASN   69  17.59 +/- 1.39   0.730% *  0.2684% (0.65   0.02   0.02) =   0.002%
          HA    VAL   75 - HN    ASN   69  14.76 +/- 2.19   1.021% *  0.1557% (0.38   0.02   0.02) =   0.002%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 866 (3.33, 8.82, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.97, residual support = 31.1:
          HD3   PRO   68 - HN    ASN   69   3.55 +/- 0.54  94.919% * 98.4644% (0.99   5.97  31.07) =  99.984%  kept
          HB2   PHE   59 - HN    ASN   69  14.68 +/- 1.35   1.692% *  0.2543% (0.76   0.02   0.02) =   0.005%
          HD2   ARG+  54 - HN    ASN   69  21.12 +/- 5.39   1.002% *  0.3072% (0.92   0.02   0.02) =   0.003%
          QB    PHE   55 - HN    ASN   69  18.43 +/- 2.79   0.875% *  0.3211% (0.97   0.02   0.02) =   0.003%
          HB3   CYS   53 - HN    ASN   69  19.01 +/- 2.72   0.790% *  0.3211% (0.97   0.02   0.02) =   0.003%
          HD3   PRO   93 - HN    ASN   69  21.85 +/- 3.05   0.723% *  0.3320% (1.00   0.02   0.02) =   0.003%
    Distance limit 4.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 867 (2.86, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.675, support = 0.02, residual support = 0.02:
          QE    LYS+  66 - HN    ASN   69   8.14 +/- 1.32  33.866% * 39.8620% (0.87   0.02   0.02) =  55.732%  kept
          HA    ALA   64 - HN    ASN   69   6.32 +/- 0.83  61.908% * 14.1837% (0.31   0.02   0.02) =  36.251%  kept
          HB3   ASN   35 - HN    ASN   69  17.35 +/- 2.75   4.226% * 45.9543% (1.00   0.02   0.02) =   8.017%  kept
    Distance limit 3.96 A violated in 16 structures by 2.04 A, eliminated.
    Peak unassigned.
 
    Peak 868 (2.17, 8.82, 114.58 ppm):
    9 chemical-shift based assignments, quality = 0.155, support = 3.83, residual support = 26.2:
          HB    VAL   70 - HN    ASN   69   4.31 +/- 0.44  79.438% * 89.1745% (0.15   3.84  26.32) =  99.691%  kept
          HB2   LYS+  38 - HN    ASN   69  14.63 +/- 1.96   3.126% *  2.9838% (0.99   0.02   0.02) =   0.131%  kept
          QG    GLN   17 - HN    ASN   69  11.17 +/- 4.89  10.121% *  0.5958% (0.20   0.02   0.02) =   0.085%
          HG3   GLU-  29 - HN    ASN   69  21.90 +/- 2.33   0.726% *  2.4106% (0.80   0.02   0.02) =   0.025%
          QB    GLU-  36 - HN    ASN   69  15.07 +/- 2.73   2.845% *  0.5272% (0.18   0.02   0.02) =   0.021%
          HB3   GLU-  29 - HN    ASN   69  20.35 +/- 2.51   0.945% *  1.2376% (0.41   0.02   0.02) =   0.016%
          HB2   GLN   90 - HN    ASN   69  24.89 +/- 3.24   0.506% *  1.8259% (0.61   0.02   0.02) =   0.013%
          HB2   GLU-  25 - HN    ASN   69  22.83 +/- 2.89   0.760% *  0.8370% (0.28   0.02   0.02) =   0.009%
          HB3   GLU-  79 - HN    ASN   69  20.20 +/- 3.22   1.532% *  0.4074% (0.14   0.02   0.02) =   0.009%
    Distance limit 4.71 A violated in 0 structures by 0.03 A, kept.
 
    Peak 869 (2.03, 8.82, 114.58 ppm):
    14 chemical-shift based assignments, quality = 0.951, support = 6.03, residual support = 31.1:
      O   HB3   PRO   68 - HN    ASN   69   4.02 +/- 0.72  37.623% * 95.4489% (0.99  10.0   6.03  31.07) =  95.270%  kept
          HG2   PRO   68 - HN    ASN   69   3.77 +/- 1.09  45.106% *  3.9306% (0.14   1.0   6.03  31.07) =   4.704%  kept
          HB2   GLN   17 - HN    ASN   69  12.08 +/- 5.01   4.530% *  0.0699% (0.73   1.0   0.02   0.02) =   0.008%
          QB    GLU-  15 - HN    ASN   69  13.17 +/- 4.75   4.117% *  0.0699% (0.73   1.0   0.02   0.02) =   0.008%
          HG3   GLN   30 - HN    ASN   69  15.76 +/- 2.48   1.252% *  0.0835% (0.87   1.0   0.02   0.02) =   0.003%
          HB2   GLN   30 - HN    ASN   69  15.20 +/- 1.92   1.163% *  0.0545% (0.57   1.0   0.02   0.02) =   0.002%
          HB    ILE  119 - HN    ASN   69  16.59 +/- 3.26   1.028% *  0.0545% (0.57   1.0   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    ASN   69  20.26 +/- 6.18   0.613% *  0.0623% (0.65   1.0   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    ASN   69  13.45 +/- 3.05   1.930% *  0.0169% (0.18   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    ASN   69  22.74 +/- 3.65   0.378% *  0.0771% (0.80   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    ASN   69  20.43 +/- 4.80   0.804% *  0.0268% (0.28   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    ASN   69  18.82 +/- 3.73   0.805% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASN   69  23.37 +/- 2.85   0.323% *  0.0507% (0.53   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASN   69  22.53 +/- 3.66   0.329% *  0.0328% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 870 (1.88, 8.82, 114.58 ppm):
    13 chemical-shift based assignments, quality = 0.375, support = 5.49, residual support = 31.0:
          HG3   PRO   68 - HN    ASN   69   3.71 +/- 0.61  84.128% * 92.7611% (0.38   5.49  31.07) =  99.878%  kept
          HB3   LYS+  38 - HN    ASN   69  14.05 +/- 2.19   2.349% *  0.8513% (0.95   0.02   0.02) =   0.026%
          QB    LYS+  33 - HN    ASN   69  14.87 +/- 2.70   2.300% *  0.5458% (0.61   0.02   0.02) =   0.016%
          HB3   ASP- 105 - HN    ASN   69  16.85 +/- 4.64   2.611% *  0.4380% (0.49   0.02   0.02) =   0.015%
          HB3   GLN   30 - HN    ASN   69  15.67 +/- 1.81   1.402% *  0.7206% (0.80   0.02   0.02) =   0.013%
          QB    LYS+ 106 - HN    ASN   69  18.11 +/- 3.45   1.323% *  0.7206% (0.80   0.02   0.02) =   0.012%
          HB    ILE   56 - HN    ASN   69  18.17 +/- 2.39   0.983% *  0.8979% (1.00   0.02   0.02) =   0.011%
          HB3   PRO   58 - HN    ASN   69  16.49 +/- 1.44   1.214% *  0.4034% (0.45   0.02   0.02) =   0.006%
          HB2   MET   92 - HN    ASN   69  22.57 +/- 3.65   0.836% *  0.5821% (0.65   0.02   0.02) =   0.006%
          HB    ILE  103 - HN    ASN   69  20.61 +/- 4.82   1.115% *  0.3700% (0.41   0.02   0.02) =   0.005%
          QB    LYS+  81 - HN    ASN   69  22.02 +/- 3.11   0.517% *  0.6877% (0.76   0.02   0.02) =   0.005%
          HG2   ARG+  54 - HN    ASN   69  20.49 +/- 4.24   0.858% *  0.4034% (0.45   0.02   0.02) =   0.004%
          HB3   GLN   90 - HN    ASN   69  24.65 +/- 2.94   0.364% *  0.6181% (0.69   0.02   0.02) =   0.003%
    Distance limit 4.26 A violated in 0 structures by 0.06 A, kept.
 
    Peak 871 (0.87, 8.82, 114.58 ppm):
    7 chemical-shift based assignments, quality = 0.716, support = 4.27, residual support = 25.3:
          QG1   VAL   70 - HN    ASN   69   3.06 +/- 0.85  67.162% * 81.8033% (0.73   4.39  26.32) =  96.137%  kept
          QD1   LEU   71 - HN    ASN   69   6.47 +/- 1.10  12.767% * 16.6713% (0.49   1.33   0.25) =   3.725%  kept
          QG1   VAL   18 - HN    ASN   69   9.25 +/- 3.59  11.075% *  0.4287% (0.84   0.02   0.02) =   0.083%
          HB3   LEU   63 - HN    ASN   69   8.26 +/- 1.94   4.787% *  0.4953% (0.97   0.02   0.02) =   0.041%
          QD1   LEU  123 - HN    ASN   69  13.18 +/- 4.17   1.982% *  0.2498% (0.49   0.02   0.02) =   0.009%
          HB3   LEU  104 - HN    ASN   69  17.25 +/- 5.90   1.839% *  0.1016% (0.20   0.02   0.02) =   0.003%
          QG1   VAL  108 - HN    ASN   69  20.10 +/- 3.38   0.388% *  0.2498% (0.49   0.02   0.02) =   0.002%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 872 (3.75, 7.34, 119.88 ppm):
    8 chemical-shift based assignments, quality = 0.983, support = 3.93, residual support = 19.9:
          HD2   PRO   68 - HN    LEU   67   4.25 +/- 0.75  50.248% * 96.2096% (1.00   3.96  19.86) =  98.359%  kept
          HA    VAL   24 - HE3   TRP   27   5.57 +/- 0.31  25.719% *  2.8641% (0.04   2.74  26.67) =   1.499%  kept
          HA    ALA   61 - HN    LEU   67   7.25 +/- 0.64  12.336% *  0.4704% (0.97   0.02   0.02) =   0.118%  kept
          HA    VAL   24 - HN    LEU   67  17.22 +/- 3.65   3.577% *  0.1663% (0.34   0.02   0.02) =   0.012%
          HD3   PRO   58 - HN    LEU   67  14.00 +/- 1.31   1.669% *  0.1505% (0.31   0.02   0.02) =   0.005%
          HA    ALA   61 - HE3   TRP   27  11.86 +/- 2.28   3.737% *  0.0591% (0.12   0.02   0.02) =   0.004%
          HD2   PRO   68 - HE3   TRP   27  15.17 +/- 2.09   1.858% *  0.0611% (0.13   0.02   0.02) =   0.002%
          HD3   PRO   58 - HE3   TRP   27  18.74 +/- 2.98   0.857% *  0.0189% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 873 (3.34, 7.34, 119.88 ppm):
    12 chemical-shift based assignments, quality = 0.763, support = 4.41, residual support = 19.8:
          HD3   PRO   68 - HN    LEU   67   3.79 +/- 0.95  72.423% * 97.4585% (0.76   4.42  19.86) =  99.872%  kept
          HD2   ARG+  54 - HN    LEU   67  17.84 +/- 4.52   8.802% *  0.5659% (0.98   0.02   0.02) =   0.070%
          HB2   PHE   59 - HN    LEU   67  11.15 +/- 1.40   5.003% *  0.2374% (0.41   0.02   0.02) =   0.017%
          HB3   CYS   53 - HN    LEU   67  15.63 +/- 2.28   1.834% *  0.5462% (0.95   0.02   0.02) =   0.014%
          QB    PHE   55 - HN    LEU   67  15.60 +/- 2.29   2.450% *  0.3966% (0.69   0.02   0.02) =   0.014%
          HD3   PRO   93 - HN    LEU   67  19.07 +/- 2.46   0.933% *  0.4623% (0.80   0.02   0.02) =   0.006%
          HD3   PRO   68 - HE3   TRP   27  15.55 +/- 2.29   2.644% *  0.0555% (0.10   0.02   0.02) =   0.002%
          HD2   ARG+  54 - HE3   TRP   27  22.86 +/- 4.55   1.116% *  0.0711% (0.12   0.02   0.02) =   0.001%
          HD3   PRO   93 - HE3   TRP   27  18.66 +/- 2.47   1.203% *  0.0581% (0.10   0.02   0.02) =   0.001%
          HB3   CYS   53 - HE3   TRP   27  18.69 +/- 3.24   0.955% *  0.0687% (0.12   0.02   0.02) =   0.001%
          QB    PHE   55 - HE3   TRP   27  19.65 +/- 2.81   1.100% *  0.0499% (0.09   0.02   0.02) =   0.001%
          HB2   PHE   59 - HE3   TRP   27  17.10 +/- 2.85   1.536% *  0.0298% (0.05   0.02   0.02) =   0.001%
    Distance limit 4.52 A violated in 0 structures by 0.05 A, kept.
 
    Peak 874 (2.85, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.585, support = 2.99, residual support = 10.1:
          QE    LYS+  66 - HN    LEU   67   5.50 +/- 0.72  23.032% * 74.9716% (0.53   4.67  15.68) =  51.042%  kept
          HA    ALA   64 - HN    LEU   67   3.42 +/- 0.56  67.949% * 24.3649% (0.65   1.23   4.19) =  48.937%  kept
          HB3   ASN   35 - HN    LEU   67  19.24 +/- 3.48   0.519% *  0.5095% (0.84   0.02   0.02) =   0.008%
          HA    ALA   64 - HE3   TRP   27  10.74 +/- 2.18   5.097% *  0.0496% (0.08   0.02   0.02) =   0.007%
          HB3   ASN   35 - HE3   TRP   27  11.73 +/- 1.27   1.895% *  0.0640% (0.10   0.02   0.02) =   0.004%
          QE    LYS+  66 - HE3   TRP   27  16.58 +/- 3.18   1.508% *  0.0403% (0.07   0.02   0.02) =   0.002%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 875 (1.98, 7.34, 119.88 ppm):
    18 chemical-shift based assignments, quality = 0.608, support = 5.09, residual support = 58.7:
      O   HB2   LEU   67 - HN    LEU   67   3.18 +/- 0.60  51.900% * 82.2873% (0.61  10.0   5.16  60.78) =  94.851%  kept
          HG2   PRO   68 - HN    LEU   67   6.00 +/- 0.90  13.460% * 17.1327% (0.65   1.0   3.90  19.86) =   5.122%  kept
          QB    GLU- 114 - HN    LEU   67  16.75 +/- 3.87   6.700% *  0.0660% (0.49   1.0   0.02   0.02) =   0.010%
          HB    VAL   18 - HN    LEU   67   9.54 +/- 4.18   6.152% *  0.0463% (0.34   1.0   0.02   0.02) =   0.006%
          HB2   LEU  115 - HN    LEU   67  15.29 +/- 2.75   1.079% *  0.1283% (0.95   1.0   0.02   0.02) =   0.003%
          HG3   PRO   58 - HN    LEU   67  14.34 +/- 1.43   0.744% *  0.1309% (0.97   1.0   0.02   0.02) =   0.002%
          HB    ILE   19 - HE3   TRP   27   7.08 +/- 1.85  10.053% *  0.0097% (0.07   1.0   0.02   0.02) =   0.002%
          HB    ILE   19 - HN    LEU   67  12.98 +/- 1.64   1.003% *  0.0768% (0.57   1.0   0.02   0.02) =   0.002%
          HB    VAL   18 - HE3   TRP   27  10.49 +/- 2.14   3.376% *  0.0058% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HE3   TRP   27  12.43 +/- 2.23   1.314% *  0.0103% (0.08   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   67  16.81 +/- 4.38   0.608% *  0.0209% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE3   TRP   27  10.41 +/- 0.35   1.759% *  0.0034% (0.02   1.0   0.02   0.63) =   0.000%
          HB3   GLU-  25 - HN    LEU   67  21.79 +/- 3.59   0.213% *  0.0268% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HE3   TRP   27  19.61 +/- 3.10   0.312% *  0.0165% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HE3   TRP   27  19.46 +/- 2.89   0.303% *  0.0161% (0.12   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HE3   TRP   27  17.05 +/- 2.01   0.410% *  0.0110% (0.08   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HE3   TRP   27  19.46 +/- 2.77   0.319% *  0.0083% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HE3   TRP   27  21.53 +/- 4.31   0.296% *  0.0026% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.06 A, kept.
 
    Peak 876 (1.82, 7.34, 119.88 ppm):
    20 chemical-shift based assignments, quality = 0.929, support = 4.67, residual support = 14.4:
          QB    LYS+  66 - HN    LEU   67   2.97 +/- 0.31  53.737% * 74.2455% (0.95   4.92  15.68) =  91.929%  kept
          QB    LYS+  65 - HN    LEU   67   4.71 +/- 0.28  14.944% * 22.4597% (0.76   1.84   0.37) =   7.733%  kept
          HB    VAL   41 - HE3   TRP   27   7.34 +/- 2.85   8.959% *  1.4620% (0.10   0.91   0.38) =   0.302%  kept
          HB2   LEU   71 - HN    LEU   67  10.07 +/- 0.96   1.590% *  0.2315% (0.73   0.02   0.02) =   0.008%
          HB2   LEU   71 - HE3   TRP   27  10.00 +/- 2.07   8.561% *  0.0291% (0.09   0.02   0.02) =   0.006%
          HB    VAL   41 - HN    LEU   67  12.83 +/- 2.09   0.922% *  0.2553% (0.80   0.02   0.02) =   0.005%
          HB3   GLN   17 - HN    LEU   67  12.51 +/- 4.40   1.799% *  0.0710% (0.22   0.02   0.02) =   0.003%
          QB    LYS+  66 - HE3   TRP   27  14.24 +/- 3.15   2.540% *  0.0379% (0.12   0.02   0.02) =   0.002%
          HG    LEU  123 - HN    LEU   67  14.92 +/- 3.56   0.798% *  0.1196% (0.38   0.02   0.02) =   0.002%
          HG2   PRO   93 - HN    LEU   67  18.45 +/- 2.45   0.271% *  0.3160% (0.99   0.02   0.02) =   0.002%
          QB    LYS+ 102 - HN    LEU   67  20.04 +/- 3.68   0.232% *  0.2765% (0.87   0.02   0.02) =   0.001%
          HG12  ILE  103 - HN    LEU   67  18.72 +/- 3.54   0.301% *  0.2062% (0.65   0.02   0.02) =   0.001%
          HG12  ILE  103 - HE3   TRP   27  13.27 +/- 3.55   1.669% *  0.0259% (0.08   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HE3   TRP   27  15.51 +/- 3.44   1.061% *  0.0348% (0.11   0.02   0.02) =   0.001%
          HB3   PRO   52 - HN    LEU   67  19.65 +/- 3.10   0.256% *  0.1196% (0.38   0.02   0.02) =   0.001%
          QB    LYS+  65 - HE3   TRP   27  13.03 +/- 2.18   1.000% *  0.0306% (0.10   0.02   0.02) =   0.001%
          HG2   PRO   93 - HE3   TRP   27  18.69 +/- 2.75   0.276% *  0.0397% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   17 - HE3   TRP   27  13.63 +/- 2.15   0.765% *  0.0089% (0.03   0.02   0.02) =   0.000%
          HG    LEU  123 - HE3   TRP   27  22.22 +/- 3.33   0.188% *  0.0150% (0.05   0.02   0.02) =   0.000%
          HB3   PRO   52 - HE3   TRP   27  22.89 +/- 2.65   0.131% *  0.0150% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 877 (1.46, 7.34, 119.88 ppm):
    22 chemical-shift based assignments, quality = 0.592, support = 5.28, residual support = 55.1:
      O   HB3   LEU   67 - HN    LEU   67   3.05 +/- 0.63  28.351% * 36.8712% (0.25  10.0   4.54  60.78) =  43.785%  kept
          HG    LEU   67 - HN    LEU   67   3.49 +/- 0.86  23.202% * 44.7517% (1.00   1.0   6.07  60.78) =  43.491%  kept
          QG    LYS+  66 - HN    LEU   67   3.86 +/- 0.74  17.164% * 16.4845% (0.41   1.0   5.42  15.68) =  11.851%  kept
          HG    LEU   73 - HE3   TRP   27   4.23 +/- 2.31  20.597% *  0.9923% (0.08   1.0   1.76  23.90) =   0.856%  kept
          HG    LEU   40 - HN    LEU   67  10.55 +/- 1.15   0.726% *  0.1466% (0.99   1.0   0.02   0.02) =   0.004%
          QB    ALA   61 - HN    LEU   67   7.42 +/- 0.54   1.900% *  0.0228% (0.15   1.0   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    LEU   67  11.46 +/- 1.09   0.622% *  0.0663% (0.45   1.0   0.02   0.02) =   0.002%
          QB    ALA  120 - HN    LEU   67  14.06 +/- 3.22   0.406% *  0.1016% (0.69   1.0   0.02   0.02) =   0.002%
          HB3   LEU  115 - HN    LEU   67  15.08 +/- 2.64   0.276% *  0.1466% (0.99   1.0   0.02   0.02) =   0.002%
          HG    LEU   73 - HN    LEU   67  12.43 +/- 1.10   0.380% *  0.0897% (0.61   1.0   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LEU   67  14.10 +/- 1.96   0.318% *  0.1016% (0.69   1.0   0.02   0.02) =   0.001%
          HG    LEU   40 - HE3   TRP   27  10.89 +/- 2.40   0.999% *  0.0184% (0.12   1.0   0.02   0.02) =   0.001%
          HB3   LEU   40 - HE3   TRP   27  11.56 +/- 2.69   1.185% *  0.0083% (0.06   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HE3   TRP   27  14.90 +/- 3.19   1.204% *  0.0076% (0.05   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HE3   TRP   27  13.16 +/- 2.32   0.489% *  0.0185% (0.13   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   67  23.37 +/- 4.36   0.072% *  0.1074% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE3   TRP   27  17.72 +/- 4.10   0.414% *  0.0135% (0.09   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HE3   TRP   27  19.00 +/- 3.02   0.305% *  0.0128% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HE3   TRP   27  18.93 +/- 2.88   0.142% *  0.0184% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HE3   TRP   27  12.44 +/- 2.11   0.459% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HE3   TRP   27  11.06 +/- 2.25   0.655% *  0.0029% (0.02   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HE3   TRP   27  18.69 +/- 2.96   0.138% *  0.0128% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 878 (0.96, 7.34, 119.88 ppm):
    14 chemical-shift based assignments, quality = 0.309, support = 4.23, residual support = 60.0:
          QD1   LEU   67 - HN    LEU   67   3.66 +/- 0.52  40.384% * 89.9425% (0.31   4.28  60.78) =  98.741%  kept
          HG3   LYS+  74 - HE3   TRP   27   9.74 +/- 2.15   6.708% *  3.7379% (0.07   0.83   0.02) =   0.682%  kept
          QD2   LEU   71 - HN    LEU   67   7.76 +/- 1.31   6.863% *  1.3154% (0.97   0.02   0.02) =   0.245%  kept
          QG2   ILE  119 - HN    LEU   67  10.58 +/- 2.39   2.945% *  1.3154% (0.97   0.02   0.02) =   0.105%  kept
          HG3   LYS+  74 - HN    LEU   67  11.16 +/- 2.79   2.841% *  0.7171% (0.53   0.02   0.02) =   0.055%
          QD2   LEU   71 - HE3   TRP   27   8.91 +/- 1.93  10.025% *  0.1654% (0.12   0.02   0.02) =   0.045%
          QD2   LEU   40 - HN    LEU   67   9.49 +/- 1.41   2.949% *  0.3790% (0.28   0.02   0.02) =   0.030%
          QD1   ILE  103 - HN    LEU   67  16.92 +/- 3.09   0.639% *  1.3600% (1.00   0.02   0.02) =   0.024%
          QD1   ILE  103 - HE3   TRP   27  11.79 +/- 3.51   4.369% *  0.1710% (0.13   0.02   0.02) =   0.020%
          QG2   ILE  103 - HN    LEU   67  15.60 +/- 3.06   1.138% *  0.5603% (0.41   0.02   0.02) =   0.017%
          QG2   ILE  103 - HE3   TRP   27  12.39 +/- 3.33   8.246% *  0.0704% (0.05   0.02   0.02) =   0.016%
          QD2   LEU   40 - HE3   TRP   27   9.12 +/- 2.09   8.392% *  0.0476% (0.03   0.02   0.02) =   0.011%
          QD1   LEU   67 - HE3   TRP   27   9.60 +/- 1.53   3.940% *  0.0529% (0.04   0.02   0.02) =   0.006%
          QG2   ILE  119 - HE3   TRP   27  16.64 +/- 2.51   0.561% *  0.1654% (0.12   0.02   0.02) =   0.003%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 879 (3.95, 7.27, 117.25 ppm):
    9 chemical-shift based assignments, quality = 0.606, support = 6.05, residual support = 30.7:
      O   HA    LYS+  65 - HN    LYS+  66   3.56 +/- 0.07  74.634% * 98.9277% (0.61  10.0   6.05  30.70) =  99.960%  kept
          QB    SER  117 - HN    LYS+  66  15.42 +/- 3.53  12.627% *  0.0923% (0.57   1.0   0.02   0.02) =   0.016%
          HA2   GLY   16 - HN    LYS+  66  14.99 +/- 5.59   3.886% *  0.1120% (0.69   1.0   0.02   0.02) =   0.006%
          QB    SER   48 - HN    LYS+  66  17.21 +/- 4.18   2.323% *  0.1617% (0.99   1.0   0.02   0.02) =   0.005%
          HA2   GLY   51 - HN    LYS+  66  18.10 +/- 4.20   2.165% *  0.1362% (0.84   1.0   0.02   0.02) =   0.004%
          HA    ALA  120 - HN    LYS+  66  15.01 +/- 3.37   1.765% *  0.1574% (0.97   1.0   0.02   0.02) =   0.004%
          HA    LYS+ 121 - HN    LYS+  66  16.26 +/- 3.50   1.330% *  0.1463% (0.90   1.0   0.02   0.02) =   0.003%
          HB    THR   94 - HN    LYS+  66  16.37 +/- 2.35   0.950% *  0.1543% (0.95   1.0   0.02   0.02) =   0.002%
          QB    SER   85 - HN    LYS+  66  22.45 +/- 1.80   0.321% *  0.1120% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 880 (3.50, 7.27, 117.25 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 2.64, residual support = 6.7:
          HA    LEU   63 - HN    LYS+  66   3.59 +/- 0.45  96.963% * 99.1384% (0.99   2.64   6.70) =  99.984%  kept
          HB2   HIS   22 - HN    LYS+  66  16.69 +/- 3.69   2.607% *  0.5213% (0.69   0.02   0.02) =   0.014%
          HA2   GLY  101 - HN    LYS+  66  23.86 +/- 3.09   0.430% *  0.3403% (0.45   0.02   0.02) =   0.002%
    Distance limit 4.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 881 (2.85, 7.27, 117.25 ppm):
    4 chemical-shift based assignments, quality = 0.844, support = 4.74, residual support = 24.0:
          HA    ALA   64 - HN    LYS+  66   4.07 +/- 0.48  60.900% * 77.0204% (0.95   4.59   8.59) =  85.964%  kept
          QE    LYS+  66 - HN    LYS+  66   5.12 +/- 0.48  34.077% * 22.4215% (0.22   5.68 118.45) =  14.003%  kept
          HB2   PHE   72 - HN    LYS+  66   9.90 +/- 1.05   4.421% *  0.3856% (0.22   0.10   0.14) =   0.031%
          HB3   ASN   35 - HN    LYS+  66  20.50 +/- 3.38   0.602% *  0.1726% (0.49   0.02   0.02) =   0.002%
    Distance limit 4.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 882 (1.81, 7.27, 117.25 ppm):
    8 chemical-shift based assignments, quality = 0.709, support = 5.5, residual support = 102.6:
      O   QB    LYS+  66 - HN    LYS+  66   2.29 +/- 0.13  66.168% * 68.1187% (0.65  10.0   5.39 118.45) =  81.982%  kept
          QB    LYS+  65 - HN    LYS+  66   3.04 +/- 0.36  31.499% * 31.4435% (0.99   1.0   6.03  30.70) =  18.015%  kept
          HB2   LEU   71 - HN    LYS+  66  11.30 +/- 0.98   0.586% *  0.1032% (0.98   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    LYS+  66  12.87 +/- 4.57   0.938% *  0.0554% (0.53   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    LYS+  66  17.85 +/- 2.72   0.187% *  0.0944% (0.90   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  66  13.88 +/- 1.89   0.359% *  0.0472% (0.45   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  66  20.86 +/- 3.08   0.115% *  0.1051% (1.00   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  66  19.44 +/- 2.97   0.148% *  0.0325% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 883 (1.47, 7.27, 117.25 ppm):
    10 chemical-shift based assignments, quality = 0.63, support = 4.1, residual support = 49.8:
          HG    LEU   67 - HN    LYS+  66   5.11 +/- 1.20  28.135% * 78.5689% (0.87   3.68  15.68) =  66.697%  kept
          QG    LYS+  66 - HN    LYS+  66   3.33 +/- 0.61  58.145% * 18.9139% (0.15   4.98 118.45) =  33.182%  kept
          QB    ALA  120 - HN    LYS+  66  13.69 +/- 2.88   2.293% *  0.4753% (0.97   0.02   0.02) =   0.033%
          HB3   LEU  115 - HN    LYS+  66  14.42 +/- 2.56   1.766% *  0.3764% (0.76   0.02   0.02) =   0.020%
          HG    LEU   40 - HN    LYS+  66  11.96 +/- 1.19   1.602% *  0.3764% (0.76   0.02   0.02) =   0.018%
          HG    LEU  115 - HN    LYS+  66  13.42 +/- 1.68   1.198% *  0.4753% (0.97   0.02   0.02) =   0.017%
          HB3   LEU   40 - HN    LYS+  66  12.91 +/- 1.36   1.233% *  0.3944% (0.80   0.02   0.02) =   0.015%
          HB2   LYS+  74 - HN    LYS+  66  10.02 +/- 2.32   4.117% *  0.0975% (0.20   0.02   0.02) =   0.012%
          HG    LEU   73 - HN    LYS+  66  12.66 +/- 1.19   1.327% *  0.1369% (0.28   0.02   0.02) =   0.005%
          HG2   LYS+ 102 - HN    LYS+  66  24.36 +/- 3.66   0.184% *  0.1849% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.47 A violated in 0 structures by 0.06 A, kept.
 
    Peak 884 (0.40, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.72, residual support = 8.59:
          QB    ALA   64 - HN    LYS+  66   4.53 +/- 0.27 100.000% *100.0000% (0.95   3.72   8.59) = 100.000%  kept
    Distance limit 4.58 A violated in 0 structures by 0.09 A, kept.
 
    Peak 885 (3.96, 6.90, 114.80 ppm):
    12 chemical-shift based assignments, quality = 0.638, support = 6.19, residual support = 159.7:
      O   HA    LYS+  65 - HN    LYS+  65   2.80 +/- 0.06  88.576% * 99.3218% (0.64  10.0   6.19 159.74) =  99.992%  kept
          HA2   GLY   16 - HN    LYS+  65  15.09 +/- 5.33   1.612% *  0.1038% (0.67   1.0   0.02   0.02) =   0.002%
          QB    SER   48 - HN    LYS+  65  16.02 +/- 3.88   1.395% *  0.0822% (0.53   1.0   0.02   0.02) =   0.001%
          QB    SER  117 - HN    LYS+  65  15.10 +/- 2.77   3.935% *  0.0268% (0.17   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    LYS+  65  15.19 +/- 2.38   0.750% *  0.1018% (0.65   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    LYS+  65  14.76 +/- 2.46   0.864% *  0.0696% (0.45   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    LYS+  65  17.07 +/- 3.38   0.950% *  0.0524% (0.34   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    LYS+  65  16.39 +/- 2.55   0.605% *  0.0609% (0.39   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  65  21.01 +/- 2.00   0.233% *  0.1038% (0.67   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  65  16.71 +/- 2.42   0.545% *  0.0367% (0.24   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  65  19.90 +/- 2.80   0.316% *  0.0213% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  65  22.27 +/- 2.72   0.220% *  0.0188% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 886 (2.85, 6.90, 114.80 ppm):
    4 chemical-shift based assignments, quality = 0.65, support = 4.87, residual support = 29.3:
      O   HA    ALA   64 - HN    LYS+  65   3.53 +/- 0.06  82.002% * 95.2958% (0.65  10.0   4.87  29.27) =  99.339%  kept
          QE    LYS+  66 - HN    LYS+  65   7.12 +/- 0.72  11.188% *  4.6328% (0.15   1.0   4.13  30.70) =   0.659%  kept
          HB2   PHE   72 - HN    LYS+  65   8.64 +/- 0.76   6.202% *  0.0224% (0.15   1.0   0.02   0.02) =   0.002%
          HB3   ASN   35 - HN    LYS+  65  20.04 +/- 2.81   0.608% *  0.0490% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (1.82, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.532, support = 6.62, residual support = 156.0:
      O   QB    LYS+  65 - HN    LYS+  65   2.10 +/- 0.11  86.884% * 77.4906% (0.53  10.0   6.68 159.74) =  97.104%  kept
          QB    LYS+  66 - HN    LYS+  65   4.52 +/- 0.22   9.119% * 22.0018% (0.65   1.0   4.59  30.70) =   2.894%  kept
          HB2   LEU   71 - HN    LYS+  65  10.80 +/- 1.34   0.777% *  0.0736% (0.50   1.0   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    LYS+  65  12.95 +/- 2.08   0.508% *  0.0812% (0.55   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    LYS+  65  12.45 +/- 4.78   1.606% *  0.0226% (0.15   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    LYS+  65  16.45 +/- 2.62   0.245% *  0.1005% (0.68   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  65  14.60 +/- 2.51   0.371% *  0.0381% (0.26   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  65  18.38 +/- 2.77   0.196% *  0.0656% (0.45   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  65  20.19 +/- 2.74   0.133% *  0.0880% (0.60   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  65  17.74 +/- 1.91   0.162% *  0.0381% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 888 (1.48, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.186, support = 4.48, residual support = 124.4:
          HG2   LYS+  65 - HN    LYS+  65   3.73 +/- 0.42  52.565% * 56.6611% (0.14   5.37 159.74) =  77.852%  kept
          HG    LEU   67 - HN    LYS+  65   6.21 +/- 1.35  21.664% * 38.4279% (0.36   1.37   0.37) =  21.760%  kept
          HB2   LYS+  74 - HN    LYS+  65   8.40 +/- 2.70  14.045% *  0.5194% (0.34   0.02   0.02) =   0.191%  kept
          HB3   LEU   40 - HN    LYS+  65  12.67 +/- 1.76   1.792% *  1.0647% (0.69   0.02   0.02) =   0.050%
          HG    LEU  115 - HN    LYS+  65  12.58 +/- 1.35   1.628% *  1.0094% (0.65   0.02   0.02) =   0.043%
          QB    ALA  120 - HN    LYS+  65  13.76 +/- 2.07   1.626% *  1.0094% (0.65   0.02   0.02) =   0.043%
          HG    LEU   40 - HN    LYS+  65  11.61 +/- 1.29   2.426% *  0.4387% (0.28   0.02   0.02) =   0.028%
          HB3   LEU  115 - HN    LYS+  65  13.48 +/- 2.02   1.553% *  0.4387% (0.28   0.02   0.02) =   0.018%
          QG2   THR   26 - HN    LYS+  65  13.59 +/- 1.70   1.354% *  0.2661% (0.17   0.02   0.02) =   0.009%
          HD2   LYS+ 121 - HN    LYS+  65  14.53 +/- 2.58   1.350% *  0.1646% (0.11   0.02   0.02) =   0.006%
    Distance limit 3.83 A violated in 0 structures by 0.03 A, kept.
 
    Peak 890 (1.35, 6.90, 114.80 ppm):
    17 chemical-shift based assignments, quality = 0.295, support = 4.08, residual support = 101.0:
          HG3   LYS+  65 - HN    LYS+  65   3.65 +/- 0.69  46.265% * 43.5111% (0.17   5.28 159.74) =  62.393%  kept
          HB2   LEU   63 - HN    LYS+  65   4.81 +/- 0.31  23.599% * 50.9311% (0.50   2.12   3.61) =  37.253%  kept
          HB3   ASP-  44 - HN    LYS+  65   9.35 +/- 2.56  11.239% *  0.5526% (0.58   0.02   0.02) =   0.192%  kept
          HB    VAL   42 - HN    LYS+  65   9.52 +/- 2.06   8.640% *  0.1650% (0.17   0.02   0.02) =   0.044%
          HB3   PRO   93 - HN    LYS+  65  14.23 +/- 2.37   1.046% *  0.6557% (0.68   0.02   0.02) =   0.021%
          HB3   LEU   73 - HN    LYS+  65  10.45 +/- 1.20   2.457% *  0.2042% (0.21   0.02   0.02) =   0.016%
          QB    ALA   84 - HN    LYS+  65  15.53 +/- 1.97   0.745% *  0.6601% (0.69   0.02   0.02) =   0.015%
          HG    LEU   98 - HN    LYS+  65  17.47 +/- 2.85   0.695% *  0.6557% (0.68   0.02   0.02) =   0.014%
          QB    ALA  124 - HN    LYS+  65  16.00 +/- 2.73   0.655% *  0.6258% (0.65   0.02   0.02) =   0.013%
          HB2   LEU   31 - HN    LYS+  65  17.47 +/- 3.23   0.850% *  0.2966% (0.31   0.02   0.02) =   0.008%
          HB3   LEU   80 - HN    LYS+  65  17.55 +/- 2.86   0.614% *  0.4013% (0.42   0.02   0.02) =   0.008%
          HB2   LYS+ 112 - HN    LYS+  65  16.10 +/- 2.55   0.868% *  0.2720% (0.28   0.02   0.02) =   0.007%
          HG3   LYS+ 106 - HN    LYS+  65  17.12 +/- 2.76   0.623% *  0.3481% (0.36   0.02   0.02) =   0.007%
          HG2   LYS+ 111 - HN    LYS+  65  20.00 +/- 2.45   0.478% *  0.2483% (0.26   0.02   0.02) =   0.004%
          HG3   LYS+  33 - HN    LYS+  65  17.05 +/- 2.49   0.607% *  0.1309% (0.14   0.02   0.02) =   0.002%
          HG2   LYS+  99 - HN    LYS+  65  19.41 +/- 3.84   0.423% *  0.1159% (0.12   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HN    LYS+  65  23.94 +/- 3.17   0.197% *  0.2257% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 891 (0.40, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.654, support = 4.87, residual support = 29.3:
          QB    ALA   64 - HN    LYS+  65   2.94 +/- 0.17 100.000% *100.0000% (0.65   4.87  29.27) = 100.000%  kept
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 892 (3.74, 6.46, 118.53 ppm):
    4 chemical-shift based assignments, quality = 0.944, support = 0.745, residual support = 6.14:
          HA    ALA   61 - HN    ALA   64   3.56 +/- 0.31  72.758% * 95.1123% (0.95   0.75   6.18) =  99.354%  kept
          HD2   PRO   68 - HN    ALA   64   7.70 +/- 1.55  13.565% *  2.1470% (0.80   0.02   0.02) =   0.418%  kept
          HA    VAL   75 - HN    ALA   64   9.37 +/- 2.14  10.818% *  1.0063% (0.38   0.02   0.02) =   0.156%  kept
          HD3   PRO   58 - HN    ALA   64  10.95 +/- 0.86   2.858% *  1.7345% (0.65   0.02   0.02) =   0.071%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 893 (2.85, 6.46, 118.53 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 4.22, residual support = 20.8:
      O   HA    ALA   64 - HN    ALA   64   2.78 +/- 0.07  88.025% * 99.9016% (0.95  10.0   4.22  20.77) =  99.997%  kept
          HB2   PHE   72 - HN    ALA   64   6.87 +/- 0.96   7.804% *  0.0235% (0.22   1.0   0.02  46.98) =   0.002%
          QE    LYS+  66 - HN    ALA   64   8.30 +/- 0.82   3.774% *  0.0235% (0.22   1.0   0.02   8.59) =   0.001%
          HB3   ASN   35 - HN    ALA   64  18.80 +/- 2.74   0.397% *  0.0514% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 894 (1.80, 6.46, 118.53 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 5.1, residual support = 27.5:
          QB    LYS+  65 - HN    ALA   64   4.37 +/- 0.21  53.224% * 83.8071% (0.92   5.34  29.27) =  91.431%  kept
          QB    LYS+  66 - HN    ALA   64   5.52 +/- 0.43  27.781% * 14.9039% (0.34   2.57   8.59) =   8.487%  kept
          HB2   LEU   71 - HN    ALA   64   9.98 +/- 1.03   5.373% *  0.3214% (0.95   0.02   0.02) =   0.035%
          HB3   GLN   17 - HN    ALA   64  12.59 +/- 3.89   4.282% *  0.2838% (0.84   0.02   0.89) =   0.025%
          HG2   PRO   93 - HN    ALA   64  15.29 +/- 2.23   1.780% *  0.2061% (0.61   0.02   0.02) =   0.008%
          HB    VAL   41 - HN    ALA   64  11.18 +/- 1.87   4.188% *  0.0672% (0.20   0.02   0.02) =   0.006%
          QB    LYS+ 102 - HN    ALA   64  18.55 +/- 2.65   0.889% *  0.2838% (0.84   0.02   0.02) =   0.005%
          HB2   LYS+  99 - HN    ALA   64  15.96 +/- 3.68   1.596% *  0.0672% (0.20   0.02   0.02) =   0.002%
          QD    LYS+  81 - HN    ALA   64  18.66 +/- 2.09   0.886% *  0.0595% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 895 (1.35, 6.46, 118.53 ppm):
    17 chemical-shift based assignments, quality = 0.712, support = 7.57, residual support = 54.6:
          HB2   LEU   63 - HN    ALA   64   2.85 +/- 0.40  60.185% * 82.6743% (0.73   7.67  55.43) =  97.111%  kept
          HG3   LYS+  65 - HN    ALA   64   5.95 +/- 0.93   9.668% * 14.8332% (0.25   4.01  29.27) =   2.799%  kept
          HB3   ASP-  44 - HN    ALA   64   7.75 +/- 2.17   9.403% *  0.2478% (0.84   0.02   0.02) =   0.045%
          HB    VAL   42 - HN    ALA   64   7.52 +/- 1.84  12.297% *  0.0740% (0.25   0.02   0.02) =   0.018%
          HB3   PRO   93 - HN    ALA   64  13.00 +/- 1.96   0.903% *  0.2941% (0.99   0.02   0.02) =   0.005%
          HB3   LEU   73 - HN    ALA   64   9.28 +/- 1.35   2.526% *  0.0916% (0.31   0.02   4.18) =   0.005%
          HG    LEU   98 - HN    ALA   64  15.58 +/- 2.82   0.669% *  0.2941% (0.99   0.02   0.02) =   0.004%
          QB    ALA   84 - HN    ALA   64  14.61 +/- 1.48   0.516% *  0.2960% (1.00   0.02   0.02) =   0.003%
          QB    ALA  124 - HN    ALA   64  15.73 +/- 2.58   0.488% *  0.2807% (0.95   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    ALA   64  15.18 +/- 2.53   0.597% *  0.1561% (0.53   0.02   0.02) =   0.002%
          HB2   LEU   31 - HN    ALA   64  16.16 +/- 2.92   0.581% *  0.1330% (0.45   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    ALA   64  16.71 +/- 2.83   0.422% *  0.1800% (0.61   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    ALA   64  15.26 +/- 2.52   0.552% *  0.1220% (0.41   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    ALA   64  18.80 +/- 2.12   0.262% *  0.1114% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    ALA   64  16.03 +/- 2.46   0.405% *  0.0587% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   64  17.70 +/- 3.73   0.369% *  0.0520% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   64  22.16 +/- 3.04   0.157% *  0.1012% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 896 (1.05, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 6.82, residual support = 55.4:
          HG    LEU   63 - HN    ALA   64   4.21 +/- 0.94  66.518% * 98.6001% (0.53   6.83  55.43) =  99.904%  kept
          QD1   ILE  119 - HN    ALA   64   8.30 +/- 1.82  16.993% *  0.1086% (0.20   0.02   0.02) =   0.028%
          QG2   VAL   24 - HN    ALA   64  13.88 +/- 2.89   8.683% *  0.2059% (0.38   0.02   0.02) =   0.027%
          HG3   LYS+ 112 - HN    ALA   64  15.45 +/- 2.53   2.099% *  0.5065% (0.92   0.02   0.02) =   0.016%
          HB2   LEU  104 - HN    ALA   64  15.00 +/- 3.32   3.550% *  0.2460% (0.45   0.02   0.02) =   0.013%
          QG2   VAL  108 - HN    ALA   64  14.83 +/- 1.73   2.156% *  0.3328% (0.61   0.02   0.02) =   0.011%
    Distance limit 4.72 A violated in 0 structures by 0.06 A, kept.
 
    Peak 897 (0.88, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.964, support = 6.78, residual support = 55.4:
          HB3   LEU   63 - HN    ALA   64   3.42 +/- 0.59  51.880% * 99.3375% (0.97   6.78  55.43) =  99.877%  kept
          QG1   VAL   18 - HN    ALA   64   6.95 +/- 3.44  18.174% *  0.1596% (0.53   0.02   9.46) =   0.056%
          QG1   VAL   70 - HN    ALA   64   5.53 +/- 1.38  23.117% *  0.1247% (0.41   0.02   0.02) =   0.056%
          QD1   LEU  123 - HN    ALA   64  10.65 +/- 2.30   3.414% *  0.0676% (0.22   0.02   0.02) =   0.004%
          QD1   LEU   71 - HN    ALA   64   9.42 +/- 1.11   2.798% *  0.0676% (0.22   0.02   0.02) =   0.004%
          QG1   VAL  108 - HN    ALA   64  15.96 +/- 2.20   0.617% *  0.2430% (0.80   0.02   0.02) =   0.003%
    Distance limit 4.15 A violated in 0 structures by 0.02 A, kept.
 
    Peak 898 (0.57, 6.46, 118.53 ppm):
    8 chemical-shift based assignments, quality = 0.809, support = 6.16, residual support = 55.4:
          QD2   LEU   63 - HN    ALA   64   4.22 +/- 0.65  37.336% * 60.3533% (1.00   5.79  55.43) =  56.095%  kept
          QD1   LEU   63 - HN    ALA   64   3.89 +/- 0.87  45.028% * 39.1326% (0.57   6.63  55.43) =  43.865%  kept
          QD1   LEU   73 - HN    ALA   64   9.24 +/- 1.48   4.524% *  0.1180% (0.57   0.02   4.18) =   0.013%
          QG2   VAL   41 - HN    ALA   64  10.00 +/- 1.19   3.672% *  0.1264% (0.61   0.02   0.02) =   0.012%
          QD2   LEU  115 - HN    ALA   64   9.31 +/- 1.29   4.352% *  0.0520% (0.25   0.02   0.02) =   0.006%
          QD1   LEU   80 - HN    ALA   64  14.70 +/- 3.38   1.970% *  0.0857% (0.41   0.02   0.02) =   0.004%
          QD2   LEU   98 - HN    ALA   64  13.05 +/- 2.40   1.563% *  0.0857% (0.41   0.02   0.02) =   0.003%
          QD2   LEU   80 - HN    ALA   64  14.37 +/- 2.52   1.555% *  0.0464% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 899 (0.40, 6.46, 118.53 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 4.22, residual support = 20.8:
      O   QB    ALA   64 - HN    ALA   64   2.02 +/- 0.07 100.000% *100.0000% (0.95  10.0   4.22  20.77) = 100.000%  kept
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 900 (4.22, 7.59, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.23, residual support = 42.3:
      O   HA    ASP-  62 - HN    LEU   63   3.56 +/- 0.05  94.651% * 99.8321% (0.97  10.0   5.23  42.32) =  99.997%  kept
          HA    SER  117 - HN    LEU   63  13.50 +/- 2.27   3.377% *  0.0425% (0.41   1.0   0.02   0.02) =   0.002%
          HB    THR   26 - HN    LEU   63  17.99 +/- 2.98   1.589% *  0.0828% (0.80   1.0   0.02   0.02) =   0.001%
          HA    SER   82 - HN    LEU   63  22.69 +/- 1.57   0.383% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (3.93, 7.59, 120.97 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 1.49, residual support = 10.6:
          HA    PHE   60 - HN    LEU   63   3.49 +/- 0.36  81.638% * 92.4872% (0.69   1.50  10.61) =  99.653%  kept
          QB    SER  117 - HN    LEU   63  12.48 +/- 2.41   8.664% *  1.7794% (0.99   0.02   0.02) =   0.203%  kept
          HA2   GLY   51 - HN    LEU   63  15.66 +/- 3.08   2.260% *  1.4995% (0.84   0.02   0.02) =   0.045%
          HB    THR   94 - HN    LEU   63  13.36 +/- 1.85   1.814% *  1.2332% (0.69   0.02   0.02) =   0.030%
          HA    LYS+ 121 - HN    LEU   63  13.88 +/- 2.05   1.624% *  1.3720% (0.76   0.02   0.02) =   0.029%
          HA    ALA  120 - HN    LEU   63  12.54 +/- 2.03   2.506% *  0.6124% (0.34   0.02   0.02) =   0.020%
          QB    SER   48 - HN    LEU   63  15.84 +/- 3.00   1.493% *  1.0164% (0.57   0.02   0.02) =   0.020%
    Distance limit 4.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 902 (3.51, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 7.49, residual support = 240.5:
      O   HA    LEU   63 - HN    LEU   63   2.81 +/- 0.06  92.911% * 99.8508% (0.76  10.0   7.49 240.53) =  99.996%  kept
          HB2   HIS   22 - HN    LEU   63  16.42 +/- 4.12   6.886% *  0.0446% (0.34   1.0   0.02   0.02) =   0.003%
          HA2   GLY  101 - HN    LEU   63  22.42 +/- 2.24   0.204% *  0.1046% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 903 (2.65, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.23, residual support = 42.3:
          HB2   ASP-  62 - HN    LEU   63   3.55 +/- 0.51  94.500% * 99.7485% (0.98   5.23  42.32) =  99.994%  kept
          HB2   PRO   52 - HN    LEU   63  15.11 +/- 2.32   1.777% *  0.1745% (0.45   0.02   0.02) =   0.003%
          QB    ASP- 113 - HN    LEU   63  14.59 +/- 2.58   3.724% *  0.0770% (0.20   0.02   0.02) =   0.003%
    Distance limit 4.00 A violated in 0 structures by 0.02 A, kept.
 
    Peak 904 (2.45, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.23, residual support = 42.3:
          HB3   ASP-  62 - HN    LEU   63   3.08 +/- 0.41  97.846% * 98.9493% (0.95   5.23  42.32) =  99.993%  kept
          HG3   MET   96 - HN    LEU   63  15.20 +/- 1.61   0.980% *  0.3693% (0.92   0.02   0.33) =   0.004%
          HG2   GLU-  36 - HN    LEU   63  22.14 +/- 2.93   0.439% *  0.2905% (0.73   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HN    LEU   63  21.54 +/- 1.84   0.345% *  0.2265% (0.57   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HN    LEU   63  22.18 +/- 3.07   0.390% *  0.1645% (0.41   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.02 A, kept.
 
    Peak 905 (1.35, 7.59, 120.97 ppm):
    17 chemical-shift based assignments, quality = 0.726, support = 7.99, residual support = 240.5:
      O   HB2   LEU   63 - HN    LEU   63   2.22 +/- 0.22  83.958% * 98.8228% (0.73  10.0   7.99 240.53) =  99.988%  kept
          HB3   ASP-  44 - HN    LEU   63   8.28 +/- 2.45   3.255% *  0.1137% (0.84   1.0   0.02   0.02) =   0.004%
          HG3   LYS+  65 - HN    LEU   63   6.49 +/- 0.94   4.283% *  0.0339% (0.25   1.0   0.02   3.61) =   0.002%
          HB    VAL   42 - HN    LEU   63   9.04 +/- 1.81   3.156% *  0.0339% (0.25   1.0   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    LEU   63  12.21 +/- 2.23   0.643% *  0.1349% (0.99   1.0   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LEU   63  11.21 +/- 2.00   1.268% *  0.0420% (0.31   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LEU   63  14.50 +/- 2.10   0.381% *  0.1287% (0.95   1.0   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    LEU   63  15.23 +/- 1.63   0.336% *  0.1358% (1.00   1.0   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    LEU   63  16.68 +/- 2.61   0.311% *  0.1349% (0.99   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    LEU   63  15.35 +/- 2.46   0.516% *  0.0716% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   63  13.28 +/- 2.36   0.530% *  0.0559% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LEU   63  18.23 +/- 3.21   0.387% *  0.0610% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   63  17.91 +/- 2.72   0.199% *  0.0825% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   63  17.35 +/- 1.95   0.213% *  0.0511% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   63  18.34 +/- 2.50   0.256% *  0.0269% (0.20   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   63  18.76 +/- 3.50   0.212% *  0.0238% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   63  23.05 +/- 2.53   0.097% *  0.0464% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 906 (1.07, 7.59, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 7.51, residual support = 240.5:
          HG    LEU   63 - HN    LEU   63   3.27 +/- 0.70  86.103% * 99.5002% (1.00   7.51 240.53) =  99.969%  kept
          QG2   VAL   24 - HN    LEU   63  15.21 +/- 3.44   8.205% *  0.2604% (0.98   0.02   0.02) =   0.025%
          HG3   LYS+ 112 - HN    LEU   63  13.54 +/- 2.20   1.977% *  0.1929% (0.73   0.02   0.02) =   0.004%
          QG1   VAL  107 - HN    LEU   63  10.55 +/- 1.67   3.715% *  0.0465% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.36 A violated in 0 structures by 0.25 A, kept.
 
    Peak 907 (0.88, 7.59, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 7.56, residual support = 240.5:
      O   HB3   LEU   63 - HN    LEU   63   3.33 +/- 0.24  68.383% * 99.7743% (0.97  10.0   7.57 240.53) =  99.980%  kept
          QG1   VAL   18 - HN    LEU   63   8.75 +/- 3.29  10.538% *  0.0544% (0.53   1.0   0.02   0.02) =   0.008%
          QG1   VAL   70 - HN    LEU   63   6.89 +/- 1.39  12.253% *  0.0425% (0.41   1.0   0.02   0.02) =   0.008%
          QD1   LEU  123 - HN    LEU   63   9.06 +/- 1.88   5.766% *  0.0230% (0.22   1.0   0.02   0.02) =   0.002%
          QG1   VAL  108 - HN    LEU   63  15.43 +/- 2.08   1.075% *  0.0828% (0.80   1.0   0.02   0.02) =   0.001%
          QD1   LEU   71 - HN    LEU   63  11.23 +/- 1.15   1.985% *  0.0230% (0.22   1.0   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 908 (0.58, 7.59, 120.97 ppm):
    9 chemical-shift based assignments, quality = 0.872, support = 6.92, residual support = 239.8:
          QD1   LEU   63 - HN    LEU   63   3.26 +/- 0.58  52.065% * 46.8229% (0.90   6.54 240.53) =  59.804%  kept
          QD2   LEU   63 - HN    LEU   63   3.96 +/- 0.53  32.361% * 50.2308% (0.84   7.54 240.53) =  39.876%  kept
          QD1   LEU   73 - HN    LEU   63  10.82 +/- 2.10   4.664% *  2.6292% (0.90   0.37   0.02) =   0.301%  kept
          QD2   LEU  115 - HN    LEU   63   7.64 +/- 1.16   5.858% *  0.0903% (0.57   0.02   0.02) =   0.013%
          QD1   LEU  104 - HN    LEU   63  13.11 +/- 3.24   1.585% *  0.0492% (0.31   0.02   0.02) =   0.002%
          QG2   VAL   41 - HN    LEU   63  11.64 +/- 1.22   1.304% *  0.0444% (0.28   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU   63  15.56 +/- 2.36   0.651% *  0.0839% (0.53   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    LEU   63  14.09 +/- 2.07   0.773% *  0.0246% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    LEU   63  15.79 +/- 3.12   0.740% *  0.0246% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 909 (2.65, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.845, support = 3.83, residual support = 41.0:
      O   HB2   ASP-  62 - HN    ASP-  62   2.53 +/- 0.47  98.467% * 99.9341% (0.84  10.0   3.83  41.01) =  99.999%  kept
          HB2   PRO   52 - HN    ASP-  62  14.33 +/- 1.94   0.790% *  0.0457% (0.39   1.0   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    ASP-  62  14.32 +/- 1.76   0.743% *  0.0202% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.03 A, kept.
 
    Peak 910 (2.45, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.815, support = 3.83, residual support = 41.0:
      O   HB3   ASP-  62 - HN    ASP-  62   2.60 +/- 0.44  98.804% * 99.7231% (0.82  10.0   3.83  41.01) =  99.999%  kept
          HG3   MET   96 - HN    ASP-  62  16.01 +/- 2.08   0.612% *  0.0973% (0.80   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HN    ASP-  62  23.67 +/- 3.06   0.191% *  0.0766% (0.63   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    ASP-  62  21.98 +/- 2.48   0.212% *  0.0597% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  62  23.02 +/- 3.11   0.181% *  0.0433% (0.35   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 911 (1.84, 7.86, 120.86 ppm):
    14 chemical-shift based assignments, quality = 0.512, support = 0.02, residual support = 0.02:
          QB    LYS+  66 - HN    ASP-  62   6.75 +/- 1.10  35.576% *  5.0993% (0.32   0.02   0.02) =  26.673%  kept
          HG    LEU  123 - HN    ASP-  62  12.20 +/- 1.83   8.802% * 12.8527% (0.82   0.02   0.02) =  16.634%  kept
          HG2   ARG+  54 - HN    ASP-  62  12.14 +/- 2.05  10.671% *  7.6923% (0.49   0.02   0.02) =  12.069%  kept
          HG3   PRO   68 - HN    ASP-  62  12.29 +/- 1.89   7.642% *  8.7895% (0.56   0.02   0.02) =   9.876%  kept
          HB3   PRO   52 - HN    ASP-  62  14.72 +/- 1.54   3.956% * 12.8527% (0.82   0.02   0.02) =   7.477%  kept
          HB    VAL   41 - HN    ASP-  62  14.55 +/- 2.00   5.228% *  7.6923% (0.49   0.02   0.02) =   5.912%  kept
          HB3   ASP- 105 - HN    ASP-  62  15.19 +/- 2.90   5.441% *  7.1484% (0.45   0.02   0.02) =   5.719%  kept
          HG12  ILE  103 - HN    ASP-  62  18.39 +/- 2.40   2.794% *  9.8662% (0.63   0.02   0.02) =   4.053%  kept
          HB    ILE  103 - HN    ASP-  62  19.91 +/- 2.62   2.000% *  8.2409% (0.52   0.02   0.02) =   2.423%  kept
          QB    LYS+ 106 - HN    ASP-  62  15.12 +/- 2.28   4.851% *  3.3879% (0.21   0.02   0.02) =   2.416%  kept
          HG2   PRO   93 - HN    ASP-  62  14.07 +/- 2.80   6.533% *  2.3795% (0.15   0.02   0.02) =   2.286%  kept
          QB    LYS+  33 - HN    ASP-  62  18.70 +/- 1.95   2.258% *  5.5858% (0.35   0.02   0.02) =   1.854%  kept
          HB3   GLN   90 - HN    ASP-  62  19.86 +/- 3.25   1.969% *  4.6346% (0.29   0.02   0.02) =   1.342%  kept
          QB    LYS+  81 - HN    ASP-  62  18.17 +/- 2.52   2.280% *  3.7777% (0.24   0.02   0.02) =   1.266%  kept
    Distance limit 4.40 A violated in 15 structures by 1.94 A, eliminated.
    Peak unassigned.
 
    Peak 912 (1.42, 7.86, 120.86 ppm):
    12 chemical-shift based assignments, quality = 0.795, support = 2.78, residual support = 8.22:
          QB    ALA   61 - HN    ASP-  62   2.80 +/- 0.23  78.718% * 94.7960% (0.80   2.79   8.23) =  99.872%  kept
          QG    LYS+  66 - HN    ASP-  62   7.32 +/- 1.78   7.416% *  0.4468% (0.52   0.02   0.02) =   0.044%
          HB3   LYS+  74 - HN    ASP-  62  10.25 +/- 2.92   5.270% *  0.3585% (0.42   0.02   0.02) =   0.025%
          HB3   LEU   67 - HN    ASP-  62   9.30 +/- 1.48   2.690% *  0.5898% (0.69   0.02   0.02) =   0.021%
          QB    ALA  110 - HN    ASP-  62  13.21 +/- 2.05   1.173% *  0.7366% (0.86   0.02   0.02) =   0.012%
          HG    LEU   73 - HN    ASP-  62  12.57 +/- 2.41   1.722% *  0.3028% (0.35   0.02   0.02) =   0.007%
          HG12  ILE   19 - HN    ASP-  62  15.33 +/- 2.22   0.584% *  0.7301% (0.85   0.02   0.02) =   0.006%
          HD3   LYS+ 121 - HN    ASP-  62  13.72 +/- 1.96   0.952% *  0.3875% (0.45   0.02   0.02) =   0.005%
          HG    LEU   80 - HN    ASP-  62  19.06 +/- 3.46   0.322% *  0.7349% (0.86   0.02   0.02) =   0.003%
          HB2   LEU   80 - HN    ASP-  62  18.26 +/- 2.95   0.358% *  0.5060% (0.59   0.02   0.02) =   0.002%
          QB    LEU   98 - HN    ASP-  62  15.84 +/- 1.95   0.638% *  0.1837% (0.21   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ASP-  62  24.03 +/- 2.55   0.156% *  0.2273% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 913 (1.82, 7.59, 120.97 ppm):
    10 chemical-shift based assignments, quality = 0.813, support = 2.24, residual support = 4.44:
          QB    LYS+  65 - HN    LEU   63   4.52 +/- 0.41  49.705% * 60.7284% (0.76   2.64   3.61) =  72.527%  kept
          QB    LYS+  66 - HN    LEU   63   5.37 +/- 0.76  33.200% * 34.0564% (0.95   1.19   6.70) =  27.167%  kept
          HB2   LEU   71 - HN    LEU   63  12.26 +/- 1.24   3.000% *  2.6361% (0.73   0.12   0.02) =   0.190%  kept
          HG2   PRO   93 - HN    LEU   63  14.49 +/- 2.47   2.066% *  0.5973% (0.99   0.02   0.02) =   0.030%
          HB    VAL   41 - HN    LEU   63  13.11 +/- 1.75   2.524% *  0.4826% (0.80   0.02   0.02) =   0.029%
          HG    LEU  123 - HN    LEU   63  12.09 +/- 2.14   3.493% *  0.2262% (0.38   0.02   0.02) =   0.019%
          HG12  ILE  103 - HN    LEU   63  17.29 +/- 2.32   1.158% *  0.3899% (0.65   0.02   0.02) =   0.011%
          QB    LYS+ 102 - HN    LEU   63  19.27 +/- 2.30   0.767% *  0.5228% (0.87   0.02   0.02) =   0.010%
          HB3   PRO   52 - HN    LEU   63  15.58 +/- 2.11   1.756% *  0.2262% (0.38   0.02   0.02) =   0.010%
          HB3   GLN   17 - HN    LEU   63  14.48 +/- 3.71   2.329% *  0.1342% (0.22   0.02   0.02) =   0.008%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 914 (3.93, 7.72, 117.18 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 5.0, residual support = 41.4:
      O   HA    PHE   60 - HN    ALA   61   3.62 +/- 0.03  85.857% * 99.3945% (0.69  10.0   5.00  41.42) =  99.983%  kept
          QB    SER  117 - HN    ALA   61  12.80 +/- 1.76   3.858% *  0.1434% (0.99   1.0   0.02   0.02) =   0.006%
          HB    THR   94 - HN    ALA   61  12.42 +/- 2.72   3.371% *  0.0994% (0.69   1.0   0.02   0.02) =   0.004%
          HA2   GLY   51 - HN    ALA   61  14.03 +/- 1.96   1.742% *  0.1209% (0.84   1.0   0.02   0.02) =   0.002%
          QB    SER   48 - HN    ALA   61  14.80 +/- 2.73   1.770% *  0.0819% (0.57   1.0   0.02   0.02) =   0.002%
          HA    LYS+ 121 - HN    ALA   61  15.15 +/- 1.44   1.305% *  0.1106% (0.76   1.0   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    ALA   61  13.64 +/- 1.47   2.097% *  0.0494% (0.34   1.0   0.02   0.02) =   0.001%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 915 (3.74, 7.72, 117.18 ppm):
    4 chemical-shift based assignments, quality = 0.944, support = 2.74, residual support = 17.8:
      O   HA    ALA   61 - HN    ALA   61   2.78 +/- 0.06  85.242% * 94.5771% (0.95  10.0   2.75  17.90) =  99.452%  kept
          HD3   PRO   58 - HN    ALA   61   6.36 +/- 0.83   8.323% *  5.3053% (0.65   1.0   1.64   0.86) =   0.545%  kept
          HA    VAL   75 - HN    ALA   61  10.69 +/- 3.04   5.210% *  0.0375% (0.38   1.0   0.02   0.02) =   0.002%
          HD2   PRO   68 - HN    ALA   61  11.91 +/- 1.38   1.225% *  0.0801% (0.80   1.0   0.02   0.02) =   0.001%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 916 (3.41, 7.72, 117.18 ppm):
    3 chemical-shift based assignments, quality = 0.834, support = 4.86, residual support = 41.3:
          HB2   PHE   60 - HN    ALA   61   2.88 +/- 0.60  90.252% * 97.1187% (0.84   4.87  41.42) =  99.743%  kept
          HB    THR   46 - HN    ALA   61   9.66 +/- 3.26   9.112% *  2.4529% (0.20   0.52   0.02) =   0.254%  kept
          HB2   TRP   87 - HN    ALA   61  17.93 +/- 2.81   0.636% *  0.4284% (0.90   0.02   0.02) =   0.003%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 917 (2.97, 7.72, 117.18 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 41.4:
          HB3   PHE   60 - HN    ALA   61   3.31 +/- 0.67  90.371% * 99.1927% (0.98   5.00  41.42) =  99.976%  kept
          QE    LYS+ 106 - HN    ALA   61  15.39 +/- 3.11   3.433% *  0.3510% (0.87   0.02   0.02) =   0.013%
          HB2   PHE   97 - HN    ALA   61  14.51 +/- 3.21   3.874% *  0.1664% (0.41   0.02   0.02) =   0.007%
          HB3   TRP   27 - HN    ALA   61  14.45 +/- 2.49   1.776% *  0.1519% (0.38   0.02   0.02) =   0.003%
          HB2   ASN   35 - HN    ALA   61  22.18 +/- 3.42   0.546% *  0.1380% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 918 (1.44, 7.72, 117.18 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 17.9:
      O   QB    ALA   61 - HN    ALA   61   2.05 +/- 0.08  92.660% * 99.0576% (0.73  10.0   4.00  17.90) =  99.992%  kept
          QG    LYS+  66 - HN    ALA   61   9.16 +/- 1.50   1.383% *  0.1337% (0.98   1.0   0.02   0.02) =   0.002%
          HG    LEU   73 - HN    ALA   61  11.72 +/- 2.71   1.176% *  0.1352% (0.99   1.0   0.02   0.12) =   0.002%
          HB3   LEU   67 - HN    ALA   61  10.11 +/- 1.48   0.921% *  0.1183% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    ALA   61   9.93 +/- 1.21   0.997% *  0.0827% (0.61   1.0   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    ALA   61  12.90 +/- 2.86   0.796% *  0.0827% (0.61   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ALA   61  10.55 +/- 1.58   0.915% *  0.0664% (0.49   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ALA   61  12.62 +/- 2.22   0.575% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   61  15.22 +/- 2.53   0.286% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   61  18.21 +/- 4.18   0.211% *  0.0718% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   61  23.40 +/- 2.87   0.079% *  0.1290% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 920 (3.72, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.754, support = 6.07, residual support = 39.8:
          HD3   PRO   58 - HN    PHE   59   3.15 +/- 0.67  87.473% * 95.4406% (0.76   6.09  39.97) =  99.534%  kept
          HA    ALA   61 - HN    PHE   59   7.20 +/- 0.39   9.143% *  4.1877% (0.26   0.77   0.70) =   0.456%  kept
          HA    VAL   75 - HN    PHE   59  13.95 +/- 2.66   2.217% *  0.3085% (0.74   0.02   0.02) =   0.008%
          HD2   PRO   68 - HN    PHE   59  14.42 +/- 1.85   1.167% *  0.0633% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 921 (3.33, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.765, support = 4.34, residual support = 57.8:
      O   HB2   PHE   59 - HN    PHE   59   2.63 +/- 0.53  85.330% * 97.4266% (0.76  10.0   4.35  57.86) =  99.843%  kept
          QB    PHE   55 - HN    PHE   59   7.52 +/- 0.82   5.483% *  2.2728% (0.73   1.0   0.49   0.02) =   0.150%  kept
          HB3   CYS   53 - HN    PHE   59   8.66 +/- 1.40   4.614% *  0.0675% (0.53   1.0   0.02   0.02) =   0.004%
          HD2   ARG+  54 - HN    PHE   59  10.86 +/- 1.53   2.323% *  0.0596% (0.47   1.0   0.02   0.02) =   0.002%
          HD3   PRO   93 - HN    PHE   59  13.20 +/- 3.46   1.301% *  0.0853% (0.67   1.0   0.02   0.02) =   0.001%
          HD3   PRO   68 - HN    PHE   59  13.89 +/- 1.90   0.949% *  0.0882% (0.69   1.0   0.02   0.02) =   0.001%
    Distance limit 3.27 A violated in 0 structures by 0.03 A, kept.
 
    Peak 922 (3.17, 7.25, 119.50 ppm):
    3 chemical-shift based assignments, quality = 0.669, support = 4.97, residual support = 57.9:
      O   HB3   PHE   59 - HN    PHE   59   2.65 +/- 0.62  96.708% * 99.9594% (0.67  10.0   4.97  57.86) =  99.999%  kept
          HB2   PHE   95 - HN    PHE   59  10.85 +/- 3.24   2.635% *  0.0178% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    PHE   59  17.01 +/- 2.27   0.657% *  0.0228% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.05 A, kept.
 
    Peak 923 (2.38, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.193, support = 6.57, residual support = 39.9:
      O   HB2   PRO   58 - HN    PHE   59   3.58 +/- 0.53  83.982% * 97.1857% (0.19  10.0   6.59  39.97) =  99.750%  kept
          HB2   GLN  116 - HN    PHE   59   8.86 +/- 1.39  11.386% *  1.6850% (0.64   1.0   0.10   0.39) =   0.234%  kept
          QG    GLU-  79 - HN    PHE   59  17.03 +/- 2.62   1.892% *  0.3121% (0.62   1.0   0.02   0.02) =   0.007%
          HB3   PHE   97 - HN    PHE   59  15.15 +/- 3.66   1.909% *  0.2677% (0.53   1.0   0.02   0.02) =   0.006%
          HB2   GLU- 100 - HN    PHE   59  24.68 +/- 2.69   0.292% *  0.3598% (0.71   1.0   0.02   0.02) =   0.001%
          QG    GLN   32 - HN    PHE   59  23.63 +/- 3.62   0.539% *  0.1897% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 924 (2.08, 7.25, 119.50 ppm):
    8 chemical-shift based assignments, quality = 0.756, support = 6.29, residual support = 40.0:
          HG2   PRO   58 - HN    PHE   59   3.04 +/- 0.36  86.562% * 98.7265% (0.76   6.29  39.97) =  99.980%  kept
          HB2   PRO   93 - HN    PHE   59  10.56 +/- 3.43   6.230% *  0.1316% (0.32   0.02   0.02) =   0.010%
          HG3   PRO   52 - HN    PHE   59  13.31 +/- 1.43   1.437% *  0.3138% (0.76   0.02   0.02) =   0.005%
          HB2   ARG+  54 - HN    PHE   59   9.82 +/- 1.11   3.856% *  0.0561% (0.14   0.02   0.02) =   0.003%
          HB2   GLU-  14 - HN    PHE   59  24.97 +/- 3.86   0.211% *  0.3195% (0.77   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    PHE   59  16.88 +/- 1.76   0.658% *  0.0890% (0.21   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    PHE   59  15.94 +/- 2.99   0.941% *  0.0433% (0.10   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    PHE   59  32.19 +/- 4.92   0.105% *  0.3202% (0.77   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 925 (1.90, 7.25, 119.50 ppm):
    8 chemical-shift based assignments, quality = 0.683, support = 6.21, residual support = 39.7:
      O   HB3   PRO   58 - HN    PHE   59   4.07 +/- 0.33  52.166% * 97.6194% (0.69  10.0   6.29  39.97) =  98.289%  kept
          HB    ILE   56 - HN    PHE   59   4.73 +/- 1.44  43.423% *  2.0356% (0.19   1.0   1.50  21.89) =   1.706%  kept
          HB2   MET   92 - HN    PHE   59  14.68 +/- 3.19   1.563% *  0.0790% (0.56   1.0   0.02   0.02) =   0.002%
          HB3   GLN   30 - HN    PHE   59  19.74 +/- 2.83   0.802% *  0.0616% (0.44   1.0   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    PHE   59  15.28 +/- 2.55   1.323% *  0.0271% (0.19   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    PHE   59  23.67 +/- 3.52   0.355% *  0.0409% (0.29   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   59  24.71 +/- 4.25   0.247% *  0.0573% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   59  32.60 +/- 4.86   0.121% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.08 A, kept.
 
    Peak 926 (1.71, 7.25, 119.50 ppm):
    9 chemical-shift based assignments, quality = 0.669, support = 4.26, residual support = 21.9:
          QG1   ILE   56 - HN    PHE   59   3.41 +/- 0.91  77.864% * 97.7310% (0.67   4.26  21.89) =  99.913%  kept
          QD    LYS+ 106 - HN    PHE   59  14.81 +/- 3.41   5.360% *  0.4233% (0.62   0.02   0.02) =   0.030%
          HB2   LEU   73 - HN    PHE   59  14.69 +/- 3.50   7.051% *  0.3207% (0.47   0.02   0.02) =   0.030%
          HB3   MET   92 - HN    PHE   59  13.63 +/- 3.09   2.956% *  0.2370% (0.35   0.02   0.02) =   0.009%
          QD    LYS+  99 - HN    PHE   59  18.82 +/- 3.52   0.852% *  0.4416% (0.64   0.02   0.02) =   0.005%
          HD2   LYS+ 111 - HN    PHE   59  14.53 +/- 2.00   2.012% *  0.1803% (0.26   0.02   0.02) =   0.005%
          HB3   LYS+  99 - HN    PHE   59  20.58 +/- 3.34   0.634% *  0.4040% (0.59   0.02   0.02) =   0.003%
          HB    ILE   89 - HN    PHE   59  17.50 +/- 3.03   1.050% *  0.1803% (0.26   0.02   0.02) =   0.002%
          HB2   LEU  123 - HN    PHE   59  12.59 +/- 1.24   2.221% *  0.0816% (0.12   0.02   0.02) =   0.002%
    Distance limit 4.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 927 (3.76, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.523, support = 0.02, residual support = 0.607:
          HA    ALA   61 - HN    ALA   57   8.58 +/- 0.98  72.714% * 14.7090% (0.34   0.02   1.05) =  56.793%  kept
          HA    VAL   24 - HN    ALA   57  20.03 +/- 3.76  10.643% * 41.6148% (0.97   0.02   0.02) =  23.518%  kept
          HD2   PRO   68 - HN    ALA   57  16.26 +/- 1.67  12.657% * 22.6869% (0.53   0.02   0.02) =  15.247%  kept
          HA    LYS+  38 - HN    ALA   57  24.37 +/- 3.64   3.986% * 20.9893% (0.49   0.02   0.02) =   4.442%  kept
    Distance limit 3.61 A violated in 20 structures by 4.89 A, eliminated.
    Peak unassigned.
 
    Peak 928 (3.36, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.396, support = 0.178, residual support = 0.02:
          HD2   ARG+  54 - HN    ALA   57   8.45 +/- 1.40  29.845% * 85.3928% (0.41   0.20   0.02) =  86.022%  kept
          HB3   CYS   53 - HN    ALA   57   6.95 +/- 1.51  45.194% *  6.9771% (0.34   0.02   0.02) =  10.643%  kept
          HD3   PRO   93 - HN    ALA   57  11.94 +/- 4.16  20.167% *  4.0479% (0.20   0.02   0.02) =   2.755%  kept
          HD3   PRO   68 - HN    ALA   57  15.67 +/- 1.61   4.794% *  3.5822% (0.18   0.02   0.02) =   0.580%  kept
    Distance limit 4.60 A violated in 11 structures by 1.55 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 929 (1.90, 7.41, 127.14 ppm):
    8 chemical-shift based assignments, quality = 0.617, support = 4.7, residual support = 27.8:
          HB3   PRO   58 - HN    ALA   57   5.37 +/- 0.44  29.546% * 73.0586% (0.90   4.21  25.39) =  56.867%  kept
          HB    ILE   56 - HN    ALA   57   3.79 +/- 0.98  63.606% * 25.7163% (0.25   5.34  31.08) =  43.091%  kept
          HB2   MET   92 - HN    ALA   57  13.37 +/- 3.87   4.145% *  0.2807% (0.73   0.02   0.02) =   0.031%
          HB3   GLN   30 - HN    ALA   57  20.90 +/- 3.21   0.793% *  0.2189% (0.57   0.02   0.02) =   0.005%
          HB3   MET   96 - HN    ALA   57  16.06 +/- 2.37   1.198% *  0.0964% (0.25   0.02   0.02) =   0.003%
          HB3   GLU-  14 - HN    ALA   57  26.22 +/- 4.43   0.257% *  0.2034% (0.53   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    ALA   57  25.14 +/- 4.10   0.336% *  0.1451% (0.38   0.02   0.02) =   0.001%
          HG3   MET   11 - HN    ALA   57  34.19 +/- 5.06   0.120% *  0.2807% (0.73   0.02   0.02) =   0.001%
    Distance limit 4.31 A violated in 0 structures by 0.02 A, kept.
 
    Peak 930 (1.64, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 4.84, residual support = 24.1:
      O   QB    ALA   57 - HN    ALA   57   2.65 +/- 0.43  92.409% * 99.4737% (0.92  10.0   4.84  24.15) =  99.994%  kept
          HD2   LYS+  74 - HN    ALA   57  13.51 +/- 3.63   2.111% *  0.1068% (0.99   1.0   0.02   0.02) =   0.002%
          QD    LYS+  65 - HN    ALA   57  11.21 +/- 1.58   1.947% *  0.0525% (0.49   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HN    ALA   57  14.67 +/- 2.64   0.889% *  0.0966% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HN    ALA   57  13.54 +/- 1.63   1.087% *  0.0567% (0.53   1.0   0.02   0.02) =   0.001%
          HB3   LEU  123 - HN    ALA   57  15.36 +/- 2.19   0.709% *  0.0697% (0.65   1.0   0.02   0.02) =   0.001%
          HB    VAL   83 - HN    ALA   57  20.69 +/- 3.23   0.352% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ALA   57  22.28 +/- 2.90   0.206% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   57  23.48 +/- 4.47   0.289% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.01 A, kept.
 
    Peak 931 (1.26, 7.41, 127.14 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 5.27, residual support = 31.1:
          QG2   ILE   56 - HN    ALA   57   3.60 +/- 0.65  85.481% * 97.4540% (0.87   5.27  31.08) =  99.952%  kept
          QB    ALA   91 - HN    ALA   57  13.53 +/- 2.93   3.680% *  0.4115% (0.97   0.02   0.02) =   0.018%
          HG2   LYS+  74 - HN    ALA   57  12.90 +/- 3.56   4.170% *  0.1912% (0.45   0.02   0.02) =   0.010%
          QG2   THR   39 - HN    ALA   57  18.23 +/- 2.51   0.946% *  0.4115% (0.97   0.02   0.02) =   0.005%
          QB    ALA   34 - HN    ALA   57  18.19 +/- 2.75   1.230% *  0.2929% (0.69   0.02   0.02) =   0.004%
          HG    LEU   71 - HN    ALA   57  18.59 +/- 3.73   1.913% *  0.1753% (0.41   0.02   0.02) =   0.004%
          HG13  ILE   19 - HN    ALA   57  20.24 +/- 2.84   0.689% *  0.2929% (0.69   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    ALA   57  18.72 +/- 3.25   1.100% *  0.1454% (0.34   0.02   0.02) =   0.002%
          HG3   LYS+  38 - HN    ALA   57  25.91 +/- 3.93   0.345% *  0.4179% (0.98   0.02   0.02) =   0.002%
          HG3   LYS+  99 - HN    ALA   57  23.08 +/- 3.13   0.446% *  0.2075% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.14 A, kept.
 
    Peak 932 (2.88, 7.68, 113.30 ppm):
    5 chemical-shift based assignments, quality = 0.363, support = 3.6, residual support = 60.7:
      O   HB2   ASN   69 - HD21  ASN   69   3.03 +/- 0.59  93.427% * 99.6854% (0.36  10.0   3.60  60.69) =  99.992%  kept
          QE    LYS+  66 - HD21  ASN   69  10.71 +/- 2.02   4.520% *  0.1287% (0.47   1.0   0.02   0.02) =   0.006%
          HB3   ASN   35 - HD21  ASN   69  16.39 +/- 2.51   0.917% *  0.0811% (0.30   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HD21  ASN   69  19.98 +/- 2.70   0.750% *  0.0811% (0.30   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD21  ASN   69  23.68 +/- 3.08   0.387% *  0.0238% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 933 (0.88, 7.68, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.306, support = 3.8, residual support = 23.7:
          QG1   VAL   70 - HD21  ASN   69   4.22 +/- 1.06  45.540% * 85.8752% (0.32   4.11  26.32) =  90.063%  kept
          QD1   LEU   71 - HD21  ASN   69   5.87 +/- 1.99  34.624% * 12.1519% (0.19   0.97   0.25) =   9.690%  kept
          QG1   VAL   18 - HD21  ASN   69  10.19 +/- 3.83   9.941% *  0.5066% (0.39   0.02   0.02) =   0.116%  kept
          HB3   LEU   63 - HD21  ASN   69  10.05 +/- 2.31   6.349% *  0.7376% (0.56   0.02   0.02) =   0.108%  kept
          QD1   LEU  123 - HD21  ASN   69  13.95 +/- 4.31   2.976% *  0.2516% (0.19   0.02   0.02) =   0.017%
          QG1   VAL  108 - HD21  ASN   69  20.63 +/- 2.99   0.570% *  0.4771% (0.36   0.02   0.02) =   0.006%
    Distance limit 4.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 934 (4.37, 7.68, 113.30 ppm):
    7 chemical-shift based assignments, quality = 0.422, support = 0.02, residual support = 0.02:
          HA    LYS+  99 - HD21  ASN   69  15.80 +/- 7.52  16.451% * 19.7883% (0.53   0.02   0.02) =  28.817%  kept
          HA    LEU  123 - HD21  ASN   69  17.54 +/- 6.28  13.321% * 14.3693% (0.39   0.02   0.02) =  16.944%  kept
          HA    ASN   35 - HD21  ASN   69  14.51 +/- 2.25  10.895% * 17.4728% (0.47   0.02   0.02) =  16.852%  kept
          HA    ILE   56 - HD21  ASN   69  19.53 +/- 3.50   7.276% * 16.7505% (0.45   0.02   0.02) =  10.789%  kept
          HA    ASP- 113 - HD21  ASN   69  22.19 +/- 3.96   5.261% * 20.1881% (0.54   0.02   0.02) =   9.402%  kept
          HA    LEU   40 - HD21  ASN   69   9.25 +/- 2.28  36.092% *  2.8311% (0.08   0.02   0.02) =   9.045%  kept
          HA    PHE   59 - HD21  ASN   69  15.19 +/- 2.07  10.705% *  8.6000% (0.23   0.02   0.02) =   8.150%  kept
    Distance limit 4.94 A violated in 17 structures by 3.44 A, eliminated.
    Peak unassigned.
 
    Peak 935 (3.33, 7.59, 115.08 ppm):
    12 chemical-shift based assignments, quality = 0.958, support = 3.96, residual support = 19.7:
          QB    PHE   55 - HN    ILE   56   3.00 +/- 0.48  58.452% * 60.6941% (0.97   4.29  21.30) =  89.846%  kept
          HD2   ARG+  54 - HN    ILE   56   6.57 +/- 0.69   7.871% * 19.6470% (0.92   1.45   0.02) =   3.916%  kept
          HB3   CYS   53 - HN    ILE   56   5.30 +/- 0.66  13.878% * 10.6060% (0.97   0.75   0.02) =   3.728%  kept
          HB2   PHE   59 - HN    ILE   56   6.29 +/- 1.35  11.632% *  8.3988% (0.76   0.75  21.89) =   2.474%  kept
          HD3   PRO   93 - HN    ILE   56  10.76 +/- 4.12   4.222% *  0.2924% (1.00   0.02   0.02) =   0.031%
          HD3   PRO   68 - HN    ILE   56  17.14 +/- 2.45   0.502% *  0.2905% (0.99   0.02   0.02) =   0.004%
          HD3   PRO   93 - HZ2   TRP   87  16.42 +/- 3.37   2.160% *  0.0127% (0.04   0.02   0.02) =   0.001%
          HB3   CYS   53 - HZ2   TRP   87  19.78 +/- 3.19   0.299% *  0.0123% (0.04   0.02   0.02) =   0.000%
          HD3   PRO   68 - HZ2   TRP   87  21.05 +/- 3.63   0.282% *  0.0126% (0.04   0.02   0.02) =   0.000%
          QB    PHE   55 - HZ2   TRP   87  20.99 +/- 2.73   0.241% *  0.0123% (0.04   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HZ2   TRP   87  25.04 +/- 3.96   0.227% *  0.0117% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   59 - HZ2   TRP   87  20.29 +/- 2.07   0.234% *  0.0097% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 936 (1.89, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.866, support = 5.91, residual support = 123.5:
      O   HB    ILE   56 - HN    ILE   56   3.34 +/- 0.52  52.753% * 94.5199% (0.87  10.0   5.94 124.29) =  99.360%  kept
          HB3   PRO   58 - HN    ILE   56   8.01 +/- 0.88   4.898% *  4.3626% (0.80   1.0   1.00   0.02) =   0.426%  kept
          HG2   ARG+  54 - HN    ILE   56   5.23 +/- 0.98  19.092% *  0.5370% (0.18   1.0   0.56   0.02) =   0.204%  kept
          HB2   MET   92 - HN    ILE   56  12.19 +/- 3.80   2.767% *  0.1031% (0.95   1.0   0.02   0.02) =   0.006%
          QB    LYS+ 106 - HN    ILE   56  15.43 +/- 2.81   0.759% *  0.0489% (0.45   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    ILE   56  17.87 +/- 3.25   0.689% *  0.0448% (0.41   1.0   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    ILE   56  22.55 +/- 3.29   0.219% *  0.1087% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE   56  18.20 +/- 3.34   0.574% *  0.0372% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ILE   56  26.77 +/- 4.19   0.160% *  0.1052% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HZ2   TRP   87  15.88 +/- 3.28   2.928% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HZ2   TRP   87  13.21 +/- 4.72   2.005% *  0.0047% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE   56  17.72 +/- 2.86   0.427% *  0.0216% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE   56  18.79 +/- 3.01   0.441% *  0.0147% (0.14   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE   56  24.33 +/- 3.26   0.168% *  0.0303% (0.28   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ILE   56  22.16 +/- 2.83   0.245% *  0.0168% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HZ2   TRP   87  19.58 +/- 6.96   0.846% *  0.0046% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HZ2   TRP   87  12.46 +/- 2.74   1.756% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HZ2   TRP   87  11.52 +/- 0.60   1.516% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   87  13.10 +/- 5.06   3.709% *  0.0007% (0.01   1.0   0.02   0.43) =   0.000%
          HB3   GLN   90 - HZ2   TRP   87  13.67 +/- 1.46   0.943% *  0.0016% (0.01   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HZ2   TRP   87  21.38 +/- 3.14   0.326% *  0.0041% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HZ2   TRP   87  22.61 +/- 3.49   0.351% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   87  15.57 +/- 4.34   0.864% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ILE   56  36.10 +/- 5.12   0.052% *  0.0168% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   87  16.07 +/- 3.32   0.839% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HZ2   TRP   87  24.10 +/- 3.33   0.221% *  0.0008% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   87  22.36 +/- 4.09   0.269% *  0.0006% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HZ2   TRP   87  28.38 +/- 7.60   0.183% *  0.0007% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.13 A, kept.
 
    Peak 937 (1.71, 7.59, 115.08 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 5.2, residual support = 124.2:
          QG1   ILE   56 - HN    ILE   56   3.65 +/- 0.73  62.179% * 97.5728% (0.87   5.21 124.29) =  99.918%  kept
          HD2   LYS+ 111 - HN    ILE   56  12.79 +/- 2.66   3.079% *  0.6236% (0.34   0.08   1.77) =   0.032%
          HB3   MET   92 - HN    ILE   56  11.28 +/- 3.60   6.652% *  0.1937% (0.45   0.02   0.02) =   0.021%
          QD    LYS+ 106 - HN    ILE   56  15.95 +/- 3.18   1.691% *  0.3460% (0.80   0.02   0.02) =   0.010%
          HB2   LEU   73 - HN    ILE   56  17.48 +/- 3.63   1.884% *  0.2621% (0.61   0.02   0.02) =   0.008%
          QD    LYS+  99 - HN    ILE   56  21.88 +/- 2.79   0.411% *  0.3609% (0.84   0.02   0.02) =   0.002%
          HB    ILE   89 - HN    ILE   56  17.22 +/- 2.73   0.924% *  0.1474% (0.34   0.02   0.02) =   0.002%
          HB3   LYS+  99 - HN    ILE   56  23.79 +/- 2.51   0.306% *  0.3302% (0.76   0.02   0.02) =   0.002%
          HB2   LEU  123 - HN    ILE   56  15.95 +/- 2.53   1.172% *  0.0667% (0.15   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HZ2   TRP   87  11.45 +/- 3.30   4.953% *  0.0150% (0.03   0.02   0.02) =   0.001%
          HB    ILE   89 - HZ2   TRP   87   8.46 +/- 0.78   6.715% *  0.0064% (0.01   0.02  18.04) =   0.001%
          HB2   LEU   73 - HZ2   TRP   87  12.38 +/- 3.15   3.489% *  0.0114% (0.03   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HZ2   TRP   87  15.42 +/- 5.10   2.197% *  0.0143% (0.03   0.02   0.02) =   0.001%
          QD    LYS+  99 - HZ2   TRP   87  15.41 +/- 4.55   1.824% *  0.0157% (0.04   0.02   0.02) =   0.000%
          QG1   ILE   56 - HZ2   TRP   87  18.08 +/- 2.33   0.697% *  0.0163% (0.04   0.02   0.02) =   0.000%
          HB3   MET   92 - HZ2   TRP   87  15.75 +/- 3.26   1.284% *  0.0084% (0.02   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HZ2   TRP   87  23.10 +/- 3.39   0.317% *  0.0064% (0.01   0.02   0.02) =   0.000%
          HB2   LEU  123 - HZ2   TRP   87  26.75 +/- 3.32   0.228% *  0.0029% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.11 A, kept.
 
    Peak 938 (1.45, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.571, support = 0.474, residual support = 0.575:
          HB3   LEU  115 - HN    ILE   56   8.21 +/- 2.07  11.297% * 36.3914% (0.92   0.41   0.31) =  40.164%  kept
          HG    LEU  115 - HN    ILE   56   7.66 +/- 1.62  12.731% * 18.9965% (0.38   0.52   0.31) =  23.627%  kept
          QB    ALA   61 - HN    ILE   56   8.41 +/- 1.09  10.420% * 18.6980% (0.38   0.52   1.22) =  19.034%  kept
          QB    ALA  110 - HN    ILE   56   9.10 +/- 3.46  12.522% * 11.0446% (0.20   0.58   1.08) =  13.511%  kept
          HG    LEU   73 - HZ2   TRP   87  12.01 +/- 3.48   5.667% *  2.6135% (0.04   0.69   0.02) =   1.447%  kept
          HG    LEU   67 - HN    ILE   56  16.60 +/- 2.71   2.660% *  1.6156% (0.84   0.02   0.02) =   0.420%  kept
          QG    LYS+  66 - HN    ILE   56  13.73 +/- 2.31   2.500% *  1.4045% (0.73   0.02   0.02) =   0.343%  kept
          HG    LEU   73 - HN    ILE   56  17.79 +/- 4.17   1.977% *  1.7346% (0.90   0.02   0.02) =   0.335%  kept
          HG    LEU   40 - HN    ILE   56  18.94 +/- 3.39   1.461% *  1.7855% (0.92   0.02   0.02) =   0.255%  kept
          QB    ALA  120 - HN    ILE   56  12.65 +/- 1.50   3.152% *  0.7259% (0.38   0.02   0.02) =   0.224%  kept
          HG    LEU   40 - HZ2   TRP   87  15.86 +/- 5.82   3.969% *  0.5008% (0.04   0.13   0.02) =   0.194%  kept
          HB3   LEU   67 - HN    ILE   56  16.61 +/- 2.21   1.643% *  1.0176% (0.53   0.02   0.02) =   0.163%  kept
          HG    LEU   80 - HN    ILE   56  21.19 +/- 4.50   1.625% *  0.4306% (0.22   0.02   0.02) =   0.068%
          HB3   LEU   40 - HN    ILE   56  20.42 +/- 3.90   1.484% *  0.3828% (0.20   0.02   0.02) =   0.055%
          HG2   LYS+ 102 - HN    ILE   56  27.28 +/- 2.76   0.288% *  1.8666% (0.97   0.02   0.02) =   0.053%
          HG2   LYS+ 102 - HZ2   TRP   87  15.68 +/- 6.06   3.836% *  0.0810% (0.04   0.02   0.02) =   0.030%
          HG12  ILE   19 - HN    ILE   56  22.20 +/- 2.62   0.583% *  0.2984% (0.15   0.02   0.02) =   0.017%
          HG    LEU   80 - HZ2   TRP   87   9.20 +/- 1.40   8.630% *  0.0187% (0.01   0.02   0.02) =   0.016%
          QB    ALA   61 - HZ2   TRP   87  15.43 +/- 2.75   2.469% *  0.0315% (0.02   0.02   0.02) =   0.008%
          HG    LEU   67 - HZ2   TRP   87  18.99 +/- 3.81   1.002% *  0.0701% (0.04   0.02   0.02) =   0.007%
          HB3   LEU  115 - HZ2   TRP   87  19.81 +/- 2.54   0.812% *  0.0775% (0.04   0.02   0.02) =   0.006%
          HB3   LEU   67 - HZ2   TRP   87  18.60 +/- 3.77   1.101% *  0.0442% (0.02   0.02   0.02) =   0.005%
          QG    LYS+  66 - HZ2   TRP   87  19.77 +/- 2.18   0.748% *  0.0610% (0.03   0.02   0.02) =   0.004%
          HB3   LEU   40 - HZ2   TRP   87  16.28 +/- 6.03   2.720% *  0.0166% (0.01   0.02   0.02) =   0.004%
          HG    LEU  115 - HZ2   TRP   87  20.07 +/- 2.85   0.847% *  0.0315% (0.02   0.02   0.02) =   0.003%
          QB    ALA  110 - HZ2   TRP   87  16.62 +/- 2.55   1.431% *  0.0166% (0.01   0.02   0.02) =   0.002%
          HG12  ILE   19 - HZ2   TRP   87  15.86 +/- 3.72   1.805% *  0.0130% (0.01   0.02   0.02) =   0.002%
          QB    ALA  120 - HZ2   TRP   87  21.20 +/- 2.67   0.621% *  0.0315% (0.02   0.02   0.02) =   0.002%
    Distance limit 4.41 A violated in 9 structures by 1.34 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 939 (1.27, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.71, residual support = 124.3:
          QG2   ILE   56 - HN    ILE   56   2.71 +/- 0.56  79.395% * 98.4679% (1.00   6.71 124.29) =  99.983%  kept
          QB    ALA   91 - HN    ILE   56  12.70 +/- 2.99   3.605% *  0.2131% (0.73   0.02   0.02) =   0.010%
          QB    ALA   34 - HN    ILE   56  19.57 +/- 2.87   0.574% *  0.2776% (0.95   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    ILE   56  19.80 +/- 3.25   0.311% *  0.1898% (0.65   0.02   0.02) =   0.001%
          QG2   THR   39 - HN    ILE   56  19.60 +/- 2.69   0.277% *  0.2131% (0.73   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HN    ILE   56  14.24 +/- 3.31   0.907% *  0.0581% (0.20   0.02   0.02) =   0.001%
          QB    ALA   34 - HZ2   TRP   87  12.05 +/- 4.62   3.352% *  0.0120% (0.04   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    ILE   56  27.64 +/- 4.01   0.098% *  0.2776% (0.95   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   56  22.13 +/- 2.90   0.207% *  0.1101% (0.38   0.02   0.02) =   0.000%
          QG2   THR   23 - HZ2   TRP   87  12.75 +/- 4.22   2.587% *  0.0082% (0.03   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   56  20.32 +/- 4.38   0.373% *  0.0514% (0.18   0.02   0.02) =   0.000%
          QB    ALA   91 - HZ2   TRP   87  12.59 +/- 1.62   1.701% *  0.0092% (0.03   0.02   0.02) =   0.000%
          QG2   THR   39 - HZ2   TRP   87  14.82 +/- 4.74   1.605% *  0.0092% (0.03   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HZ2   TRP   87  20.26 +/- 6.95   1.005% *  0.0120% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   56  24.61 +/- 2.75   0.140% *  0.0653% (0.22   0.02   0.02) =   0.000%
          QG2   ILE   56 - HZ2   TRP   87  17.53 +/- 3.08   0.486% *  0.0127% (0.04   0.02   0.02) =   0.000%
          HG13  ILE   19 - HZ2   TRP   87  16.31 +/- 3.70   0.602% *  0.0048% (0.02   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HZ2   TRP   87  14.03 +/- 3.06   1.112% *  0.0025% (0.01   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HZ2   TRP   87  16.70 +/- 5.12   0.970% *  0.0028% (0.01   0.02   0.02) =   0.000%
          HG    LEU   71 - HZ2   TRP   87  18.05 +/- 4.92   0.694% *  0.0022% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.06 A, kept.
 
    Peak 941 (3.34, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.909, support = 5.61, residual support = 84.5:
          HB3   CYS   53 - HN    ARG+  54   3.95 +/- 0.34  28.031% * 36.6446% (0.94   5.53  32.13) =  42.251%  kept
          HD2   ARG+  54 - HN    ARG+  54   4.37 +/- 0.66  22.740% * 44.0123% (0.95   6.59 170.49) =  41.168%  kept
          QB    PHE   55 - HN    ARG+  54   4.27 +/- 0.15  21.499% * 18.4299% (0.76   3.45   4.31) =  16.298%  kept
          HB2   PHE   59 - HN    ASP-  62   5.42 +/- 0.65  11.992% *  0.4932% (0.09   0.75   6.50) =   0.243%  kept
          HD3   PRO   93 - HN    ARG+  54  10.78 +/- 3.56   4.475% *  0.1198% (0.85   0.02   0.02) =   0.022%
          HB2   PHE   59 - HN    ARG+  54   9.51 +/- 1.78   3.043% *  0.0703% (0.50   0.02   0.02) =   0.009%
          HD3   PRO   68 - HN    ARG+  54  18.43 +/- 3.60   0.417% *  0.1159% (0.82   0.02   0.02) =   0.002%
          HD2   ARG+  54 - HN    ASP-  62  13.13 +/- 2.69   1.815% *  0.0250% (0.18   0.02   0.02) =   0.002%
          HD3   PRO   68 - HN    ASP-  62  10.29 +/- 1.60   2.083% *  0.0217% (0.15   0.02   0.02) =   0.002%
          HB3   CYS   53 - HN    ASP-  62  10.62 +/- 1.77   1.803% *  0.0248% (0.18   0.02   0.02) =   0.002%
          QB    PHE   55 - HN    ASP-  62  10.73 +/- 0.91   1.407% *  0.0200% (0.14   0.02   0.02) =   0.001%
          HD3   PRO   93 - HN    ASP-  62  14.86 +/- 2.75   0.696% *  0.0224% (0.16   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 944 (2.03, 7.87, 121.30 ppm):
    28 chemical-shift based assignments, quality = 0.263, support = 6.59, residual support = 170.5:
      O   HB2   ARG+  54 - HN    ARG+  54   2.45 +/- 0.42  84.620% * 96.9633% (0.26  10.0   6.59 170.49) =  99.986%  kept
          HB2   LYS+ 111 - HN    ARG+  54  13.53 +/- 2.66   0.734% *  0.2793% (0.76   1.0   0.02   0.02) =   0.002%
          HB    ILE  119 - HN    ARG+  54  13.75 +/- 2.49   0.880% *  0.1974% (0.54   1.0   0.02   0.02) =   0.002%
          HB3   PRO   68 - HN    ARG+  54  20.75 +/- 3.71   0.205% *  0.3457% (0.94   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    ASP-  62   9.72 +/- 1.05   1.838% *  0.0369% (0.10   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    ARG+  54  17.25 +/- 4.20   0.515% *  0.1190% (0.32   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    ARG+  54  13.11 +/- 2.43   0.726% *  0.0776% (0.21   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    ASP-  62  12.73 +/- 1.34   0.869% *  0.0647% (0.18   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    ARG+  54  23.95 +/- 3.69   0.161% *  0.3025% (0.82   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    ASP-  62  12.11 +/- 2.48   2.511% *  0.0181% (0.05   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    ASP-  62  15.18 +/- 4.32   0.936% *  0.0474% (0.13   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    ARG+  54  23.76 +/- 4.10   0.150% *  0.2532% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ARG+  54  23.82 +/- 3.59   0.148% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ARG+  54  26.38 +/- 4.72   0.149% *  0.1835% (0.50   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ARG+  54  25.95 +/- 3.73   0.102% *  0.2532% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP-  62  17.02 +/- 2.25   0.394% *  0.0566% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASP-  62  16.15 +/- 1.41   0.397% *  0.0523% (0.14   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP-  62  18.15 +/- 3.27   0.343% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASP-  62  13.38 +/- 2.04   1.045% *  0.0145% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP-  62  16.76 +/- 2.09   0.369% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ARG+  54  29.88 +/- 3.20   0.058% *  0.2256% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ARG+  54  19.97 +/- 3.82   0.242% *  0.0472% (0.13   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP-  62  12.02 +/- 2.03   1.269% *  0.0088% (0.02   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ARG+  54  22.73 +/- 3.50   0.177% *  0.0611% (0.17   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASP-  62  17.61 +/- 2.25   0.319% *  0.0223% (0.06   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP-  62  15.01 +/- 2.24   0.536% *  0.0114% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP-  62  21.83 +/- 3.49   0.175% *  0.0343% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP-  62  23.39 +/- 2.91   0.132% *  0.0422% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 945 (1.86, 7.87, 121.30 ppm):
    26 chemical-shift based assignments, quality = 0.912, support = 6.53, residual support = 163.7:
          HG2   ARG+  54 - HN    ARG+  54   3.11 +/- 0.52  59.714% * 82.0124% (0.94   6.67 170.49) =  95.960%  kept
          HB3   PRO   52 - HN    ARG+  54   5.30 +/- 0.29  14.213% * 13.2383% (0.29   3.46   1.91) =   3.687%  kept
          HB    ILE   56 - HN    ARG+  54   7.16 +/- 0.95   6.743% *  2.4375% (0.46   0.40   0.02) =   0.322%  kept
          HB3   GLN   90 - HN    ARG+  54  17.59 +/- 3.44   1.779% *  0.2395% (0.91   0.02   0.02) =   0.008%
          QB    LYS+ 106 - HN    ARG+  54  17.05 +/- 3.34   0.938% *  0.2225% (0.85   0.02   0.02) =   0.004%
          QB    LYS+  81 - HN    ARG+  54  16.92 +/- 3.22   0.649% *  0.2290% (0.87   0.02   0.02) =   0.003%
          HB    ILE   56 - HN    ASP-  62   8.83 +/- 1.45   3.780% *  0.0226% (0.09   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    ARG+  54  20.09 +/- 4.02   0.349% *  0.2395% (0.91   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    ASP-  62  12.14 +/- 2.05   1.760% *  0.0460% (0.18   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    ASP-  62  12.29 +/- 1.89   1.805% *  0.0448% (0.17   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    ARG+  54  20.16 +/- 2.78   0.317% *  0.2476% (0.94   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    ARG+  54  23.92 +/- 3.74   0.297% *  0.2432% (0.93   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ARG+  54  25.39 +/- 3.70   0.252% *  0.2459% (0.94   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    ASP-  62  15.12 +/- 2.28   0.974% *  0.0416% (0.16   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    ASP-  62  15.19 +/- 2.90   0.835% *  0.0463% (0.18   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    ARG+  54  17.09 +/- 3.53   0.475% *  0.0766% (0.29   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    ASP-  62  12.20 +/- 1.83   1.566% *  0.0143% (0.05   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP-  62  18.17 +/- 2.52   0.442% *  0.0429% (0.16   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASP-  62  19.91 +/- 2.62   0.380% *  0.0455% (0.17   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP-  62  18.70 +/- 1.95   0.374% *  0.0460% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP-  62  19.86 +/- 3.25   0.360% *  0.0448% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ARG+  54  23.58 +/- 3.67   0.296% *  0.0491% (0.19   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ASP-  62  14.72 +/- 1.54   0.781% *  0.0143% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ARG+  54  28.46 +/- 4.51   0.101% *  0.0846% (0.32   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP-  62  16.83 +/- 2.34   0.560% *  0.0092% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP-  62  20.95 +/- 2.96   0.260% *  0.0158% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.02 A, kept.
 
    Peak 946 (1.42, 7.87, 121.30 ppm):
    24 chemical-shift based assignments, quality = 0.183, support = 2.71, residual support = 7.99:
          QB    ALA   61 - HN    ASP-  62   2.80 +/- 0.23  68.347% * 61.1826% (0.16   2.79   8.23) =  97.064%  kept
          QB    ALA  110 - HN    ARG+  54  10.35 +/- 3.43   6.147% * 17.7034% (0.95   0.14   0.02) =   2.526%  kept
          QB    ALA   61 - HN    ARG+  54   9.94 +/- 1.78   1.962% *  2.3454% (0.87   0.02   0.02) =   0.107%  kept
          QG    LYS+  66 - HN    ASP-  62   7.32 +/- 1.78   6.461% *  0.2883% (0.11   0.02   0.02) =   0.043%
          HD3   LYS+ 121 - HN    ARG+  54  18.87 +/- 4.12   1.149% *  1.3367% (0.50   0.02   0.02) =   0.036%
          QG    LYS+  66 - HN    ARG+  54  14.90 +/- 3.27   0.917% *  1.5410% (0.57   0.02   0.02) =   0.033%
          HG    LEU   80 - HN    ARG+  54  20.84 +/- 4.65   0.440% *  2.5351% (0.94   0.02   0.02) =   0.026%
          HB3   LYS+  74 - HN    ASP-  62  10.25 +/- 2.92   4.591% *  0.2314% (0.09   0.02   0.02) =   0.025%
          HB3   LEU   67 - HN    ARG+  54  17.97 +/- 3.20   0.455% *  2.0345% (0.76   0.02   0.02) =   0.021%
          HB3   LEU   67 - HN    ASP-  62   9.30 +/- 1.48   2.334% *  0.3807% (0.14   0.02   0.02) =   0.021%
          HB3   LYS+  74 - HN    ARG+  54  16.33 +/- 3.40   0.633% *  1.2367% (0.46   0.02   0.02) =   0.018%
          HB2   LEU   80 - HN    ARG+  54  19.78 +/- 4.23   0.444% *  1.7452% (0.65   0.02   0.02) =   0.018%
          HG    LEU   73 - HN    ARG+  54  18.91 +/- 4.02   0.524% *  1.0445% (0.39   0.02   0.02) =   0.013%
          QB    ALA  110 - HN    ASP-  62  13.21 +/- 2.05   1.013% *  0.4754% (0.18   0.02   0.02) =   0.011%
          HG12  ILE   19 - HN    ARG+  54  23.38 +/- 3.11   0.153% *  2.5182% (0.94   0.02   0.02) =   0.009%
          HG    LEU   73 - HN    ASP-  62  12.57 +/- 2.41   1.497% *  0.1954% (0.07   0.02   0.02) =   0.007%
          HG12  ILE   19 - HN    ASP-  62  15.33 +/- 2.22   0.507% *  0.4712% (0.18   0.02   0.02) =   0.006%
          HD3   LYS+ 121 - HN    ASP-  62  13.72 +/- 1.96   0.826% *  0.2501% (0.09   0.02   0.02) =   0.005%
          QB    LEU   98 - HN    ARG+  54  20.49 +/- 2.32   0.231% *  0.6335% (0.24   0.02   0.02) =   0.003%
          HG    LEU   80 - HN    ASP-  62  19.06 +/- 3.46   0.279% *  0.4743% (0.18   0.02   0.02) =   0.003%
          HB2   LEU   80 - HN    ASP-  62  18.26 +/- 2.95   0.311% *  0.3266% (0.12   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ARG+  54  29.10 +/- 3.71   0.092% *  0.7842% (0.29   0.02   0.02) =   0.002%
          QB    LEU   98 - HN    ASP-  62  15.84 +/- 1.95   0.552% *  0.1185% (0.04   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ASP-  62  24.03 +/- 2.55   0.135% *  0.1467% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 947 (3.96, 9.57, 121.38 ppm):
    12 chemical-shift based assignments, quality = 0.463, support = 2.7, residual support = 10.7:
      O   HA2   GLY   51 - HN    GLY   51   2.60 +/- 0.23  46.102% * 83.6626% (0.49  10.0   2.21  10.19) =  83.769%  kept
          HD2   PRO   52 - HN    GLY   51   2.59 +/- 0.67  49.008% * 15.2376% (0.34   1.0   5.20  13.41) =  16.219%  kept
          QB    SER   48 - HN    GLY   51   7.60 +/- 1.23   2.791% *  0.1314% (0.76   1.0   0.02   0.02) =   0.008%
          HB    THR   94 - HN    GLY   51  13.42 +/- 2.32   0.601% *  0.1112% (0.65   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    GLY   51  20.54 +/- 4.15   0.241% *  0.1626% (0.95   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    GLY   51  18.16 +/- 2.99   0.199% *  0.1659% (0.97   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    GLY   51  17.96 +/- 3.34   0.193% *  0.1587% (0.92   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    GLY   51  22.34 +/- 4.50   0.214% *  0.0973% (0.57   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLY   51  16.62 +/- 2.89   0.226% *  0.0429% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLY   51  18.96 +/- 3.90   0.307% *  0.0301% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    GLY   51  27.96 +/- 4.47   0.041% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLY   51  29.35 +/- 4.90   0.075% *  0.0340% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 948 (2.79, 6.60, 121.96 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 1.57, residual support = 7.92:
      O   QB    CYS   50 - HN    CYS   50   2.95 +/- 0.25  86.704% * 99.6260% (0.69  10.0   1.57   7.92) =  99.988%  kept
          HB3   ASP-  78 - HN    CYS   50  13.70 +/- 6.63   3.744% *  0.1543% (0.84   1.0   0.02   0.02) =   0.007%
          QE    LYS+  74 - HN    CYS   50  13.76 +/- 3.86   1.867% *  0.1342% (0.73   1.0   0.02   0.02) =   0.003%
          HB3   HIS  122 - HN    CYS   50  20.20 +/- 5.19   7.289% *  0.0285% (0.15   1.0   0.02   0.02) =   0.002%
          HB3   ASN   69 - HN    CYS   50  23.32 +/- 4.59   0.396% *  0.0570% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.02 A, kept.
 
    Peak 949 (0.39, 6.60, 121.96 ppm):
    4 chemical-shift based assignments, quality = 0.565, support = 2.07, residual support = 7.0:
          QB    ALA   47 - HN    CYS   50   3.01 +/- 1.09  77.426% * 97.7503% (0.57   2.07   7.01) =  99.839%  kept
          QG1   VAL   42 - HN    CYS   50  13.81 +/- 2.13   6.789% *  0.7473% (0.45   0.02   0.02) =   0.067%
          HG2   LYS+ 112 - HN    CYS   50  13.75 +/- 3.73  13.042% *  0.2919% (0.18   0.02   0.02) =   0.050%
          QB    ALA   64 - HN    CYS   50  13.79 +/- 1.96   2.743% *  1.2105% (0.73   0.02   0.02) =   0.044%
    Distance limit 4.33 A violated in 0 structures by 0.09 A, kept.
 
    Peak 950 (3.96, 6.63, 116.57 ppm):
    12 chemical-shift based assignments, quality = 0.299, support = 3.46, residual support = 14.4:
      O   HA    SER   48 - HN    TRP   49   3.54 +/- 0.07  36.091% * 70.4244% (0.22  10.0   3.24  14.42) =  65.868%  kept
          QB    SER   48 - HN    TRP   49   3.21 +/- 0.35  47.467% * 27.6914% (0.45   1.0   3.91  14.42) =  34.063%  kept
          HD2   PRO   52 - HN    TRP   49   6.52 +/- 1.07   6.991% *  0.2046% (0.65   1.0   0.02   3.06) =   0.037%
          HA2   GLY   51 - HN    TRP   49   7.41 +/- 0.90   4.357% *  0.0704% (0.22   1.0   0.02   0.02) =   0.008%
          HA    LYS+  65 - HN    TRP   49  18.72 +/- 4.65   0.735% *  0.3135% (0.99   1.0   0.02   0.02) =   0.006%
          QB    SER   85 - HN    TRP   49  15.18 +/- 2.52   0.639% *  0.3053% (0.97   1.0   0.02   0.02) =   0.005%
          HA    ALA   88 - HN    TRP   49  15.99 +/- 3.78   1.217% *  0.1300% (0.41   1.0   0.02   0.02) =   0.004%
          HB    THR   94 - HN    TRP   49  12.26 +/- 1.66   1.211% *  0.1079% (0.34   1.0   0.02   0.02) =   0.003%
          HA    ALA  120 - HN    TRP   49  23.09 +/- 5.01   0.511% *  0.2173% (0.69   1.0   0.02   0.02) =   0.003%
          HA    GLN   32 - HN    TRP   49  27.97 +/- 5.15   0.310% *  0.1418% (0.45   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    TRP   49  24.27 +/- 5.18   0.373% *  0.0879% (0.28   1.0   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    TRP   49  27.85 +/- 4.98   0.098% *  0.3053% (0.97   1.0   0.02   0.02) =   0.001%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 952 (3.15, 6.63, 116.57 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.1, residual support = 84.6:
      O   HB3   TRP   49 - HN    TRP   49   2.90 +/- 0.44  97.892% * 99.8958% (0.80  10.0   4.10  84.63) =  99.998%  kept
          HB3   PHE   59 - HN    TRP   49  15.33 +/- 2.52   2.108% *  0.1042% (0.84   1.0   0.02   0.02) =   0.002%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 954 (3.96, 9.44, 119.76 ppm):
    12 chemical-shift based assignments, quality = 0.394, support = 2.47, residual support = 9.23:
      O   QB    SER   48 - HN    SER   48   2.35 +/- 0.17  57.368% * 66.2308% (0.45  10.0   2.43   9.23) =  75.972%  kept
      O   HA    SER   48 - HN    SER   48   2.75 +/- 0.06  36.524% * 32.8893% (0.22  10.0   2.61   9.23) =  24.019%  kept
          HD2   PRO   52 - HN    SER   48   8.22 +/- 1.54   1.898% *  0.0956% (0.65   1.0   0.02   0.02) =   0.004%
          QB    SER   85 - HN    SER   48  13.40 +/- 2.18   0.440% *  0.1426% (0.97   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    SER   48  18.13 +/- 4.52   0.366% *  0.1464% (0.99   1.0   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    SER   48  14.12 +/- 3.44   0.776% *  0.0607% (0.41   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    SER   48  10.81 +/- 1.51   0.775% *  0.0504% (0.34   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    SER   48   9.47 +/- 1.14   1.106% *  0.0329% (0.22   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    SER   48  23.28 +/- 4.79   0.228% *  0.1015% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   48  26.20 +/- 5.21   0.292% *  0.0662% (0.45   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   48  26.62 +/- 4.89   0.059% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    SER   48  24.20 +/- 4.80   0.166% *  0.0411% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (0.38, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.08, residual support = 6.27:
          QB    ALA   47 - HN    SER   48   2.87 +/- 0.31  91.614% * 99.1197% (0.90   4.08   6.27) =  99.966%  kept
          QG1   VAL   42 - HN    SER   48  13.40 +/- 2.08   5.621% *  0.4340% (0.80   0.02   0.02) =   0.027%
          HG2   LYS+ 112 - HN    SER   48  16.32 +/- 3.98   1.613% *  0.2430% (0.45   0.02   0.02) =   0.004%
          QB    ALA   64 - HN    SER   48  13.77 +/- 2.14   1.153% *  0.2034% (0.38   0.02   0.02) =   0.003%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 957 (3.40, 7.01, 120.97 ppm):
    2 chemical-shift based assignments, quality = 0.809, support = 0.02, residual support = 0.02:
          HB2   PHE   60 - HN    ALA   47  11.14 +/- 2.74  61.099% * 52.2208% (0.84   0.02   0.02) =  63.189%  kept
          HB2   TRP   87 - HN    ALA   47  14.31 +/- 3.12  38.901% * 47.7792% (0.76   0.02   0.02) =  36.811%  kept
    Distance limit 4.29 A violated in 19 structures by 5.86 A, eliminated.
    Peak unassigned.
 
    Peak 958 (2.79, 7.01, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.966, support = 1.41, residual support = 6.33:
          QB    CYS   50 - HN    ALA   47   4.12 +/- 0.98  66.521% * 72.0537% (0.97   1.50   7.01) =  90.205%  kept
          QE    LYS+  74 - HN    ALA   47  11.22 +/- 4.26  19.327% * 26.5961% (0.98   0.55   0.02) =   9.674%  kept
          HB3   ASP-  78 - HN    ALA   47  12.04 +/- 5.79  11.674% *  0.4846% (0.49   0.02   0.51) =   0.106%  kept
          HB2   PHE   72 - HN    ALA   47  14.98 +/- 1.96   1.929% *  0.2216% (0.22   0.02   0.02) =   0.008%
          HB3   ASN   69 - HN    ALA   47  21.42 +/- 2.77   0.550% *  0.6440% (0.65   0.02   0.02) =   0.007%
    Distance limit 4.03 A violated in 0 structures by 0.19 A, kept.
 
    Peak 959 (0.74, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.964, support = 3.2, residual support = 11.6:
          QG2   THR   46 - HN    ALA   47   3.31 +/- 0.80  87.195% * 97.5679% (0.97   3.20  11.60) =  99.931%  kept
          QG1   VAL   43 - HN    ALA   47  10.92 +/- 1.58   7.704% *  0.4337% (0.69   0.02   0.02) =   0.039%
          QG2   VAL   18 - HN    ALA   47  14.04 +/- 3.32   2.130% *  0.5663% (0.90   0.02   0.02) =   0.014%
          QD1   ILE   19 - HN    ALA   47  17.77 +/- 2.07   0.798% *  0.5973% (0.95   0.02   0.02) =   0.006%
          QD2   LEU  104 - HN    ALA   47  18.25 +/- 2.42   0.840% *  0.5274% (0.84   0.02   0.02) =   0.005%
          QG1   VAL   41 - HN    ALA   47  15.84 +/- 1.97   1.331% *  0.3074% (0.49   0.02   0.02) =   0.005%
    Distance limit 4.12 A violated in 0 structures by 0.02 A, kept.
 
    Peak 960 (0.39, 7.01, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.32, residual support = 10.8:
      O   QB    ALA   47 - HN    ALA   47   2.33 +/- 0.20  91.623% * 99.7622% (0.57  10.0   2.32  10.83) =  99.995%  kept
          HG2   LYS+ 112 - HN    ALA   47  13.03 +/- 4.50   6.189% *  0.0309% (0.18   1.0   0.02   0.02) =   0.002%
          QB    ALA   64 - HN    ALA   47  11.65 +/- 1.80   1.042% *  0.1280% (0.73   1.0   0.02   0.02) =   0.001%
          QG1   VAL   42 - HN    ALA   47  11.01 +/- 1.21   1.146% *  0.0790% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 961 (3.47, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 3.23, residual support = 34.2:
      O   HB    THR   46 - HN    THR   46   3.40 +/- 0.42  94.466% * 99.3656% (0.25  10.0   3.23  34.25) =  99.986%  kept
          HA    LYS+ 112 - HN    THR   46  13.22 +/- 2.66   2.691% *  0.3045% (0.76   1.0   0.02   0.02) =   0.009%
          HB2   HIS   22 - HN    THR   46  15.54 +/- 3.78   1.684% *  0.1359% (0.34   1.0   0.02   0.02) =   0.002%
          HB2   HIS  122 - HN    THR   46  18.85 +/- 3.17   1.159% *  0.1940% (0.49   1.0   0.02   0.02) =   0.002%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 962 (1.32, 8.46, 117.19 ppm):
    9 chemical-shift based assignments, quality = 0.59, support = 3.23, residual support = 9.07:
          QG2   THR   77 - HN    THR   46   5.28 +/- 4.32  43.665% * 64.9969% (0.61   3.56  10.73) =  84.374%  kept
          HB3   ASP-  44 - HN    THR   46   5.73 +/- 0.85  25.027% * 12.7455% (0.22   1.90   0.17) =   9.483%  kept
          QB    ALA   88 - HN    THR   46  10.38 +/- 2.27  10.014% * 19.9736% (0.95   0.70   0.02) =   5.946%  kept
          HB2   LEU   31 - HN    THR   46  17.97 +/- 4.13  11.837% *  0.3408% (0.57   0.02   0.02) =   0.120%  kept
          HB3   LEU   80 - HN    THR   46  10.84 +/- 3.75   5.408% *  0.2474% (0.41   0.02   0.02) =   0.040%
          HG2   LYS+ 111 - HN    THR   46  15.45 +/- 2.21   1.185% *  0.3894% (0.65   0.02   0.02) =   0.014%
          HB2   LEU   63 - HN    THR   46  11.83 +/- 2.18   2.220% *  0.1858% (0.31   0.02   0.02) =   0.012%
          HG2   LYS+  99 - HN    THR   46  20.89 +/- 1.97   0.389% *  0.5398% (0.90   0.02   0.02) =   0.006%
          HG2   LYS+  38 - HN    THR   46  23.66 +/- 2.28   0.256% *  0.5809% (0.97   0.02   0.02) =   0.004%
    Distance limit 3.87 A violated in 0 structures by 0.19 A, kept.
 
    Peak 963 (1.03, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.864, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HN    THR   46  10.80 +/- 2.33  37.083% * 32.0586% (0.99   0.02   0.02) =  48.095%  kept
          QD1   ILE  119 - HN    THR   46  11.97 +/- 2.54  28.789% * 25.8997% (0.80   0.02   0.02) =  30.164%  kept
          HB2   LEU  104 - HN    THR   46  17.29 +/- 1.96   8.910% * 32.0586% (0.99   0.02   0.02) =  11.556%  kept
          HG3   LYS+ 112 - HN    THR   46  14.14 +/- 3.75  25.218% *  9.9831% (0.31   0.02   0.02) =  10.185%  kept
    Distance limit 4.73 A violated in 16 structures by 4.01 A, eliminated.
    Peak unassigned.
 
    Peak 964 (0.75, 8.46, 117.19 ppm):
    8 chemical-shift based assignments, quality = 0.964, support = 3.35, residual support = 34.2:
          QG2   THR   46 - HN    THR   46   2.62 +/- 0.38  84.734% * 97.3751% (0.97   3.35  34.25) =  99.920%  kept
          QG1   VAL   43 - HN    THR   46   7.68 +/- 1.54   7.475% *  0.5694% (0.95   0.02   0.02) =   0.052%
          QG2   VAL   18 - HN    THR   46  11.93 +/- 2.86   1.533% *  0.6005% (1.00   0.02   0.02) =   0.011%
          QG1   VAL   41 - HN    THR   46  12.97 +/- 1.62   1.122% *  0.4819% (0.80   0.02   0.02) =   0.007%
          QD1   ILE   19 - HN    THR   46  15.11 +/- 1.93   0.614% *  0.4134% (0.69   0.02   0.02) =   0.003%
          HG    LEU   31 - HN    THR   46  16.03 +/- 3.43   1.621% *  0.1501% (0.25   0.02   0.02) =   0.003%
          QD2   LEU   73 - HN    THR   46  10.08 +/- 1.60   2.359% *  0.0929% (0.15   0.02   0.02) =   0.003%
          QD2   LEU  104 - HN    THR   46  15.71 +/- 1.95   0.542% *  0.3167% (0.53   0.02   0.02) =   0.002%
    Distance limit 3.25 A violated in 0 structures by 0.02 A, kept.
 
    Peak 965 (0.45, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.922, support = 1.64, residual support = 1.44:
          QG1   VAL   75 - HN    THR   46   5.57 +/- 2.90  71.053% * 99.0049% (0.92   1.65   1.44) =  99.592%  kept
          QD1   LEU  115 - HN    THR   46   9.77 +/- 2.23  28.947% *  0.9951% (0.76   0.02   0.02) =   0.408%  kept
    Distance limit 4.57 A violated in 6 structures by 1.07 A, kept.
 
    Peak 966 (3.96, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.646, support = 3.44, residual support = 27.3:
          HB    THR   94 - HN    PHE   45   3.84 +/- 0.58  58.045% * 94.4292% (0.65   3.45  27.35) =  99.670%  kept
          HA    LYS+  65 - HN    PHE   45  13.28 +/- 3.07  10.180% *  0.7816% (0.92   0.02   0.02) =   0.145%  kept
          QB    SER   48 - HN    PHE   45  11.17 +/- 1.03   3.104% *  0.6470% (0.76   0.02   0.02) =   0.037%
          QB    SER   85 - HN    PHE   45  12.79 +/- 1.50   2.236% *  0.8171% (0.97   0.02   0.02) =   0.033%
          HA    GLN   32 - HN    PHE   45  19.63 +/- 3.71  10.588% *  0.1676% (0.20   0.02   0.02) =   0.032%
          QB    SER  117 - HN    PHE   45  13.19 +/- 2.44   6.144% *  0.2111% (0.25   0.02   0.02) =   0.024%
          HD2   PRO   52 - HN    PHE   45  12.43 +/- 1.99   2.547% *  0.2888% (0.34   0.02   0.02) =   0.013%
          HA    ALA  120 - HN    PHE   45  17.60 +/- 2.27   0.758% *  0.8009% (0.95   0.02   0.02) =   0.011%
          HA2   GLY   51 - HN    PHE   45  14.37 +/- 1.12   1.338% *  0.4121% (0.49   0.02   0.02) =   0.010%
          HA    ALA   88 - HN    PHE   45  12.09 +/- 1.60   3.708% *  0.1483% (0.18   0.02   0.79) =   0.010%
          HA2   GLY   16 - HN    PHE   45  20.48 +/- 3.97   0.639% *  0.8171% (0.97   0.02   0.02) =   0.009%
          HA    LYS+ 121 - HN    PHE   45  17.98 +/- 2.27   0.712% *  0.4793% (0.57   0.02   0.02) =   0.006%
    Distance limit 4.73 A violated in 0 structures by 0.03 A, kept.
 
    Peak 967 (3.06, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.63, residual support = 79.8:
      O   HB2   PHE   45 - HN    PHE   45   2.93 +/- 0.63  96.695% * 99.8561% (0.99  10.0   3.63  79.80) =  99.997%  kept
          QE    LYS+ 111 - HN    PHE   45  13.18 +/- 2.51   1.959% *  0.0988% (0.98   1.0   0.02   0.02) =   0.002%
          HB2   CYS   21 - HN    PHE   45  14.44 +/- 2.11   1.346% *  0.0452% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.52 A violated in 0 structures by 0.02 A, kept.
 
    Peak 968 (2.43, 8.74, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.95, residual support = 79.8:
      O   HB3   PHE   45 - HN    PHE   45   2.86 +/- 0.55  78.323% * 99.6079% (0.87  10.0   3.95  79.80) =  99.977%  kept
          QE    LYS+ 112 - HN    PHE   45  11.63 +/- 4.07  13.607% *  0.0996% (0.87   1.0   0.02   0.02) =   0.017%
          HB    VAL  107 - HN    PHE   45   8.28 +/- 1.00   4.540% *  0.0515% (0.45   1.0   0.02   0.02) =   0.003%
          HB3   ASP-  86 - HN    PHE   45  13.22 +/- 1.60   1.019% *  0.0919% (0.80   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HN    PHE   45  11.68 +/- 2.32   2.151% *  0.0431% (0.38   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HN    PHE   45  20.59 +/- 2.89   0.360% *  0.1060% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 969 (1.33, 8.74, 125.75 ppm):
    13 chemical-shift based assignments, quality = 0.459, support = 3.72, residual support = 16.3:
          HB3   ASP-  44 - HN    PHE   45   3.64 +/- 0.47  45.211% * 43.9365% (0.49   4.10  18.79) =  79.840%  kept
          QG2   THR   77 - HN    PHE   45   6.57 +/- 3.53  18.564% * 17.4732% (0.31   2.57   9.64) =  13.038%  kept
          QB    ALA   88 - HN    PHE   45   9.95 +/- 1.65   3.435% * 26.5857% (0.69   1.76   0.79) =   3.670%  kept
          HB3   PRO   93 - HN    PHE   45   6.38 +/- 0.88  11.612% *  4.8320% (0.15   1.42   0.14) =   2.255%  kept
          QB    ALA   84 - HN    PHE   45   8.06 +/- 1.60   5.278% *  4.6731% (0.18   1.21   0.47) =   0.991%  kept
          HB2   LEU   31 - HN    PHE   45  16.29 +/- 3.14   6.206% *  0.3819% (0.87   0.02   0.02) =   0.095%
          HB2   LEU   63 - HN    PHE   45   9.96 +/- 2.02   3.300% *  0.2671% (0.61   0.02   0.02) =   0.035%
          HB3   LEU   80 - HN    PHE   45  11.53 +/- 3.28   2.752% *  0.3197% (0.73   0.02   0.02) =   0.035%
          HG2   LYS+ 111 - HN    PHE   45  14.07 +/- 2.63   1.232% *  0.4065% (0.92   0.02   0.02) =   0.020%
          HG2   LYS+  99 - HN    PHE   45  18.22 +/- 1.03   0.386% *  0.4393% (1.00   0.02   0.02) =   0.007%
          HG    LEU   98 - HN    PHE   45  12.64 +/- 1.83   1.428% *  0.1098% (0.25   0.02   0.02) =   0.006%
          HG2   LYS+  38 - HN    PHE   45  21.39 +/- 1.60   0.278% *  0.4249% (0.97   0.02   0.02) =   0.005%
          QB    ALA  124 - HN    PHE   45  19.88 +/- 2.01   0.316% *  0.1502% (0.34   0.02   0.02) =   0.002%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 970 (0.08, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.827, support = 1.08, residual support = 13.6:
          QD1   ILE   89 - HN    PHE   45   4.52 +/- 0.99  71.269% * 57.3033% (0.80   1.15  15.70) =  85.221%  kept
          QG2   VAL   83 - HN    PHE   45   8.49 +/- 1.76  16.701% * 41.6583% (0.98   0.68   1.31) =  14.518%  kept
          QD2   LEU   31 - HN    PHE   45  11.51 +/- 1.86  12.031% *  1.0384% (0.84   0.02   0.02) =   0.261%  kept
    Distance limit 4.43 A violated in 0 structures by 0.42 A, kept.
 
    Peak 971 (2.42, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.996, support = 4.09, residual support = 12.3:
          HB3   PHE   45 - HN    THR   46   3.91 +/- 0.47  60.979% * 98.4412% (1.00   4.10  12.33) =  99.847%  kept
          QE    LYS+ 112 - HN    THR   46  12.47 +/- 3.80   9.882% *  0.4803% (1.00   0.02   0.02) =   0.079%
          QG    GLN   32 - HN    THR   46  20.54 +/- 4.57  13.535% *  0.1200% (0.25   0.02   0.02) =   0.027%
          HB    VAL  107 - HN    THR   46  11.37 +/- 1.62   3.883% *  0.3855% (0.80   0.02   0.02) =   0.025%
          HB3   ASP-  62 - HN    THR   46  12.92 +/- 3.42   8.618% *  0.0652% (0.14   0.02   0.02) =   0.009%
          HB3   ASP-  86 - HN    THR   46  13.61 +/- 1.83   2.125% *  0.2158% (0.45   0.02   0.02) =   0.008%
          HG2   GLU-  29 - HN    THR   46  21.49 +/- 4.21   0.978% *  0.2920% (0.61   0.02   0.02) =   0.005%
    Distance limit 4.32 A violated in 0 structures by 0.02 A, kept.
 
    Peak 973 (6.59, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.868, support = 0.743, residual support = 7.53:
          HN    CYS   50 - HN    CYS   53   5.26 +/- 0.16  96.909% * 77.1198% (0.87  1.00   0.75   7.60) =  99.063%  kept
        T HN    VAL   83 - HN    CYS   53  19.88 +/- 3.34   3.091% * 22.8802% (0.97 10.00   0.02   0.02) =   0.937%  kept
    Distance limit 4.86 A violated in 0 structures by 0.41 A, kept.
 
    Peak 974 (4.53, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.606, support = 7.18, residual support = 55.3:
      O   HA    PRO   52 - HN    CYS   53   3.45 +/- 0.02  92.726% * 99.8358% (0.61  10.0   7.18  55.28) =  99.987%  kept
          HA    LYS+ 111 - HN    CYS   53  11.51 +/- 3.55   7.274% *  0.1642% (1.00   1.0   0.02   0.02) =   0.013%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 975 (4.16, 8.09, 110.83 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 4.86, residual support = 44.7:
      O   HA    CYS   53 - HN    CYS   53   2.73 +/- 0.05  97.907% * 99.7036% (0.90  10.0   4.86  44.75) =  99.999%  kept
          HA    GLU- 114 - HN    CYS   53  14.73 +/- 2.93   0.948% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    CYS   53  25.89 +/- 4.28   0.259% *  0.0850% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    CYS   53  22.18 +/- 3.36   0.237% *  0.0719% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    CYS   53  25.44 +/- 4.48   0.348% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    CYS   53  28.32 +/- 3.66   0.130% *  0.0309% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    CYS   53  26.05 +/- 3.32   0.172% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 976 (3.96, 8.09, 110.83 ppm):
    12 chemical-shift based assignments, quality = 0.352, support = 7.84, residual support = 51.2:
          HD2   PRO   52 - HN    CYS   53   2.28 +/- 0.03  84.220% * 60.9060% (0.34   8.19  55.28) =  92.611%  kept
          HA2   GLY   51 - HN    CYS   53   4.50 +/- 0.15  11.238% * 36.3051% (0.49   3.42   0.24) =   7.366%  kept
          QB    SER   48 - HN    CYS   53   9.42 +/- 1.06   1.437% *  0.3331% (0.76   0.02   0.02) =   0.009%
          HB    THR   94 - HN    CYS   53  12.49 +/- 2.67   0.792% *  0.2820% (0.65   0.02   0.02) =   0.004%
          HA    ALA  120 - HN    CYS   53  17.90 +/- 3.60   0.353% *  0.4123% (0.95   0.02   0.02) =   0.003%
          HA    LYS+  65 - HN    CYS   53  16.88 +/- 2.46   0.258% *  0.4023% (0.92   0.02   0.02) =   0.002%
          HA    LYS+ 121 - HN    CYS   53  19.69 +/- 3.99   0.381% *  0.2468% (0.57   0.02   0.02) =   0.002%
          QB    SER   85 - HN    CYS   53  18.54 +/- 2.98   0.216% *  0.4206% (0.97   0.02   0.02) =   0.002%
          QB    SER  117 - HN    CYS   53  14.27 +/- 2.57   0.524% *  0.1087% (0.25   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    CYS   53  26.75 +/- 4.20   0.062% *  0.4206% (0.97   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    CYS   53  28.47 +/- 4.87   0.251% *  0.0863% (0.20   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    CYS   53  19.04 +/- 3.78   0.269% *  0.0763% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 977 (3.82, 8.09, 110.83 ppm):
    6 chemical-shift based assignments, quality = 0.953, support = 5.07, residual support = 45.4:
      O   HB2   CYS   53 - HN    CYS   53   2.55 +/- 0.47  67.237% * 84.9072% (0.98  10.0   5.00  44.75) =  93.502%  kept
          HD3   PRO   52 - HN    CYS   53   3.66 +/- 0.01  26.630% * 14.8861% (0.57   1.0   6.07  55.28) =   6.492%  kept
          HD2   PRO   58 - HN    CYS   53   8.88 +/- 2.11   5.797% *  0.0560% (0.65   1.0   0.02   0.02) =   0.005%
          HA    VAL   83 - HN    CYS   53  20.81 +/- 3.16   0.171% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    CYS   53  25.66 +/- 4.00   0.107% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    CYS   53  28.37 +/- 2.53   0.059% *  0.0456% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 978 (3.33, 8.09, 110.83 ppm):
    6 chemical-shift based assignments, quality = 0.964, support = 6.11, residual support = 43.5:
      O   HB3   CYS   53 - HN    CYS   53   2.91 +/- 0.57  66.166% * 76.8822% (0.97  10.0   6.26  44.75) =  95.019%  kept
          HD2   ARG+  54 - HN    CYS   53   6.63 +/- 0.97   9.703% * 16.0072% (0.92   1.0   4.35  32.13) =   2.901%  kept
          QB    PHE   55 - HN    CYS   53   4.98 +/- 0.26  16.068% *  6.8912% (0.97   1.0   1.79   0.02) =   2.068%  kept
          HD3   PRO   93 - HN    CYS   53   9.64 +/- 3.41   5.386% *  0.0795% (1.00   1.0   0.02   0.02) =   0.008%
          HB2   PHE   59 - HN    CYS   53  10.24 +/- 1.64   2.277% *  0.0609% (0.76   1.0   0.02   0.02) =   0.003%
          HD3   PRO   68 - HN    CYS   53  19.01 +/- 3.38   0.400% *  0.0790% (0.99   1.0   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 979 (2.79, 8.09, 110.83 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 2.82, residual support = 7.33:
          QB    CYS   50 - HN    CYS   53   3.99 +/- 0.79  71.519% * 81.4294% (0.69   2.90   7.60) =  96.427%  kept
          QE    LYS+  74 - HN    CYS   53  13.91 +/- 3.39  11.928% * 17.5100% (0.73   0.59   0.02) =   3.458%  kept
          HB3   ASP-  78 - HN    CYS   53  16.22 +/- 5.67   8.634% *  0.6824% (0.84   0.02   0.02) =   0.098%
          HB3   HIS  122 - HN    CYS   53  17.19 +/- 4.20   7.351% *  0.1260% (0.15   0.02   0.02) =   0.015%
          HB3   ASN   69 - HN    CYS   53  22.44 +/- 4.01   0.568% *  0.2521% (0.31   0.02   0.02) =   0.002%
    Distance limit 4.70 A violated in 0 structures by 0.05 A, kept.
 
    Peak 980 (2.30, 8.09, 110.83 ppm):
    11 chemical-shift based assignments, quality = 0.249, support = 7.19, residual support = 55.2:
          HG2   PRO   52 - HN    CYS   53   3.09 +/- 0.10  83.218% * 94.9799% (0.25   7.20  55.28) =  99.867%  kept
          HG2   MET   92 - HN    CYS   53  10.71 +/- 3.80   5.946% *  0.8083% (0.76   0.02   0.02) =   0.061%
          QG    GLU- 114 - HN    CYS   53  11.54 +/- 2.94   3.974% *  0.7266% (0.69   0.02   0.02) =   0.036%
          HB2   GLU-  79 - HN    CYS   53  17.00 +/- 4.20   2.877% *  0.6415% (0.61   0.02   0.02) =   0.023%
          HB2   ASP-  44 - HN    CYS   53  12.62 +/- 1.94   1.674% *  0.2637% (0.25   0.02   0.02) =   0.006%
          QG    GLN   90 - HN    CYS   53  14.99 +/- 3.07   1.146% *  0.1431% (0.14   0.02   0.02) =   0.002%
          HB3   PHE   72 - HN    CYS   53  17.84 +/- 2.77   0.617% *  0.1852% (0.18   0.02   0.02) =   0.001%
          QB    MET   11 - HN    CYS   53  32.76 +/- 4.56   0.102% *  0.8470% (0.80   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    CYS   53  31.78 +/- 4.02   0.107% *  0.8083% (0.76   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    CYS   53  25.98 +/- 3.16   0.161% *  0.3608% (0.34   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    CYS   53  26.25 +/- 4.08   0.177% *  0.2355% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 981 (2.08, 8.09, 110.83 ppm):
    8 chemical-shift based assignments, quality = 0.929, support = 7.0, residual support = 53.8:
          HG3   PRO   52 - HN    CYS   53   4.24 +/- 0.07  46.062% * 89.9666% (0.98   7.20  55.28) =  93.671%  kept
          HB2   ARG+  54 - HN    CYS   53   4.95 +/- 0.48  30.574% *  9.0643% (0.18   4.06  32.13) =   6.264%  kept
          HB2   PRO   93 - HN    CYS   53   9.22 +/- 3.21  14.188% *  0.1048% (0.41   0.02   0.02) =   0.034%
          HG2   PRO   58 - HN    CYS   53  10.65 +/- 2.04   4.691% *  0.2498% (0.98   0.02   0.02) =   0.026%
          HB    VAL  108 - HN    CYS   53  16.08 +/- 4.83   3.770% *  0.0345% (0.14   0.02   0.02) =   0.003%
          HB2   GLU-  14 - HN    CYS   53  29.78 +/- 4.35   0.163% *  0.2543% (1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    CYS   53  21.98 +/- 3.50   0.452% *  0.0709% (0.28   0.02   0.02) =   0.001%
          HG2   MET   11 - HN    CYS   53  36.67 +/- 5.66   0.099% *  0.2549% (1.00   0.02   0.02) =   0.001%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 982 (1.85, 8.09, 110.83 ppm):
    13 chemical-shift based assignments, quality = 0.675, support = 7.15, residual support = 52.6:
      O   HB3   PRO   52 - HN    CYS   53   3.96 +/- 0.42  54.565% * 77.7512% (0.65  10.0   7.56  55.28) =  88.550%  kept
          HG2   ARG+  54 - HN    CYS   53   5.35 +/- 0.74  25.556% * 21.4280% (0.90   1.0   3.98  32.13) =  11.430%  kept
          HB    ILE   56 - HN    CYS   53   7.79 +/- 1.16  10.553% *  0.0238% (0.20   1.0   0.02   0.02) =   0.005%
          QB    LYS+ 106 - HN    CYS   53  16.24 +/- 3.68   1.977% *  0.0680% (0.57   1.0   0.02   0.02) =   0.003%
          HB3   GLN   90 - HN    CYS   53  16.17 +/- 3.40   1.528% *  0.0826% (0.69   1.0   0.02   0.02) =   0.003%
          QB    LYS+  81 - HN    CYS   53  15.88 +/- 2.93   1.277% *  0.0729% (0.61   1.0   0.02   0.02) =   0.002%
          HG    LEU  123 - HN    CYS   53  17.61 +/- 3.86   1.179% *  0.0778% (0.65   1.0   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    CYS   53  20.67 +/- 3.86   0.708% *  0.1137% (0.95   1.0   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    CYS   53  23.13 +/- 3.89   0.551% *  0.1109% (0.92   1.0   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    CYS   53  19.79 +/- 2.77   0.546% *  0.1043% (0.87   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    CYS   53  25.20 +/- 3.61   0.529% *  0.0919% (0.76   1.0   0.02   0.02) =   0.001%
          HG12  ILE  103 - HN    CYS   53  21.97 +/- 3.36   0.530% *  0.0451% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    CYS   53  20.74 +/- 2.70   0.501% *  0.0300% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 983 (8.05, 7.85, 118.81 ppm):
    8 chemical-shift based assignments, quality = 0.774, support = 5.84, residual support = 44.3:
        T HN    GLN   32 - HN    LEU   31   2.68 +/- 0.18  80.106% * 97.0345% (0.78 10.00   5.86  44.48) =  99.503%  kept
          HN    ALA   34 - HN    LEU   31   4.61 +/- 0.29  17.013% *  2.2679% (0.14  1.00   2.53   9.89) =   0.494%  kept
        T HN    GLN   32 - HN    PHE   55  27.58 +/- 4.59   0.334% *  0.4734% (0.38 10.00   0.02   0.02) =   0.002%
          HN    SER   85 - HN    LEU   31  19.06 +/- 4.52   0.335% *  0.1159% (0.93  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    LEU   31  18.31 +/- 2.66   0.632% *  0.0290% (0.23  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    PHE   55  11.94 +/- 1.92   1.171% *  0.0141% (0.11  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    PHE   55  21.58 +/- 3.28   0.232% *  0.0565% (0.45  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    PHE   55  26.83 +/- 3.82   0.176% *  0.0087% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 984 (8.29, 7.85, 118.81 ppm):
    8 chemical-shift based assignments, quality = 0.547, support = 7.03, residual support = 48.9:
        T HN    GLN   30 - HN    LEU   31   2.55 +/- 0.12  81.035% * 78.3245% (0.53 10.00   7.26  51.62) =  94.629%  kept
          HN    GLU-  29 - HN    LEU   31   4.30 +/- 0.21  17.117% * 21.0368% (0.91  1.00   3.10   0.44) =   5.369%  kept
        T HN    GLN   30 - HN    PHE   55  25.80 +/- 4.16   0.161% *  0.3821% (0.26 10.00   0.02   0.02) =   0.001%
          HN    ASP-  86 - HN    LEU   31  18.07 +/- 4.85   0.407% *  0.0895% (0.60  1.00   0.02   0.02) =   0.001%
          HN    VAL   18 - HN    LEU   31  13.54 +/- 2.27   0.733% *  0.0385% (0.26  1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    PHE   55  27.00 +/- 4.69   0.208% *  0.0662% (0.44  1.00   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    PHE   55  22.62 +/- 3.24   0.159% *  0.0437% (0.29  1.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    PHE   55  21.70 +/- 4.00   0.179% *  0.0188% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 985 (4.47, 7.84, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.481, support = 3.3, residual support = 20.9:
      O   HA    PHE   55 - HN    PHE   55   2.82 +/- 0.06  73.920% * 97.7147% (0.48  10.0   3.31  20.90) =  99.805%  kept
          HA    TRP   27 - HN    LEU   31   4.51 +/- 0.35  18.955% *  0.5498% (0.13   1.0   0.40  22.42) =   0.144%  kept
          HA    ALA  110 - HN    PHE   55  11.64 +/- 4.20   3.317% *  1.0127% (0.71   1.0   0.14   0.02) =   0.046%
          HA    ALA   91 - HN    PHE   55  15.13 +/- 3.23   1.047% *  0.0662% (0.33   1.0   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    PHE   55  15.48 +/- 3.30   0.710% *  0.0912% (0.45   1.0   0.02   0.02) =   0.001%
          HA    GLN   90 - HN    PHE   55  17.32 +/- 3.22   0.457% *  0.1290% (0.64   1.0   0.02   0.02) =   0.001%
          HA    GLN   90 - HN    LEU   31  20.84 +/- 3.74   0.490% *  0.0977% (0.48   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    LEU   31  25.22 +/- 3.61   0.211% *  0.1094% (0.54   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LEU   31  26.19 +/- 4.69   0.233% *  0.0740% (0.37   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   31  21.23 +/- 2.36   0.206% *  0.0691% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   31  22.97 +/- 3.25   0.241% *  0.0502% (0.25   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    PHE   55  23.34 +/- 3.59   0.214% *  0.0359% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 986 (3.33, 7.84, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.786, support = 3.02, residual support = 20.6:
      O   QB    PHE   55 - HN    PHE   55   2.02 +/- 0.10  83.387% * 82.2247% (0.79  10.0   3.01  20.90) =  98.229%  kept
          HD2   ARG+  54 - HN    PHE   55   4.80 +/- 0.58   7.725% * 14.0110% (0.69   1.0   3.89   4.31) =   1.551%  kept
          HB3   CYS   53 - HN    PHE   55   5.33 +/- 0.25   4.751% *  3.1765% (0.73   1.0   0.83   0.02) =   0.216%  kept
          HB2   PHE   59 - HN    PHE   55   8.48 +/- 1.47   1.498% *  0.0693% (0.66   1.0   0.02   0.02) =   0.001%
          HD3   PRO   93 - HN    PHE   55  11.15 +/- 3.71   1.245% *  0.0828% (0.79   1.0   0.02   0.02) =   0.001%
          HB3   CYS   53 - HN    LEU   31  22.90 +/- 4.43   0.520% *  0.0580% (0.56   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    LEU   31  17.96 +/- 2.84   0.240% *  0.0628% (0.60   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   55  18.45 +/- 3.24   0.169% *  0.0830% (0.79   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    LEU   31  20.97 +/- 3.57   0.175% *  0.0525% (0.50   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   31  22.70 +/- 3.60   0.113% *  0.0627% (0.60   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   31  23.28 +/- 3.58   0.104% *  0.0623% (0.60   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   31  27.00 +/- 5.29   0.073% *  0.0545% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 987 (4.14, 7.84, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.327, support = 3.59, residual support = 9.07:
      O   HA    ARG+  54 - HN    PHE   55   3.52 +/- 0.03  39.798% * 65.2746% (0.25  10.0   3.27   4.31) =  67.742%  kept
          HA    ASN   28 - HN    LEU   31   3.47 +/- 0.16  41.788% * 28.9900% (0.50   1.0   4.33  19.47) =  31.590%  kept
          HA    THR   26 - HN    LEU   31   6.63 +/- 0.31   6.097% *  3.8862% (0.39   1.0   0.75   0.02) =   0.618%  kept
          HA    ALA   34 - HN    LEU   31   6.85 +/- 0.55   6.002% *  0.1546% (0.58   1.0   0.02   9.89) =   0.024%
          HA    LEU  115 - HN    PHE   55  11.19 +/- 2.37   2.045% *  0.1834% (0.69   1.0   0.02   7.88) =   0.010%
          HA1   GLY  101 - HN    LEU   31  14.72 +/- 5.42   1.458% *  0.1598% (0.60   1.0   0.02   0.02) =   0.006%
          HA    GLU- 114 - HN    PHE   55  13.63 +/- 2.07   0.843% *  0.2001% (0.75   1.0   0.02   0.02) =   0.004%
          HA    ASN   28 - HN    PHE   55  25.14 +/- 4.59   0.459% *  0.1766% (0.66   1.0   0.02   0.02) =   0.002%
          HA    ALA   34 - HN    PHE   55  26.45 +/- 3.51   0.129% *  0.2041% (0.77   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    LEU   31  22.55 +/- 2.72   0.185% *  0.1390% (0.52   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    PHE   55  26.98 +/- 4.38   0.170% *  0.1368% (0.51   1.0   0.02   0.02) =   0.001%
          HA    ARG+  54 - HN    LEU   31  24.29 +/- 4.75   0.458% *  0.0494% (0.19   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    LEU   31  25.71 +/- 3.20   0.129% *  0.1515% (0.57   1.0   0.02   0.02) =   0.001%
          HA1   GLY  101 - HN    PHE   55  28.88 +/- 3.19   0.089% *  0.2110% (0.79   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    PHE   55  21.86 +/- 3.30   0.229% *  0.0471% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   31  27.35 +/- 4.98   0.120% *  0.0357% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 988 (3.63, 7.85, 118.81 ppm):
    2 chemical-shift based assignments, quality = 0.602, support = 7.14, residual support = 231.3:
      O   HA    LEU   31 - HN    LEU   31   2.78 +/- 0.06  99.703% * 99.9512% (0.60  10.0   7.14 231.30) = 100.000%  kept
          HA    LEU   31 - HN    PHE   55  24.93 +/- 3.93   0.297% *  0.0488% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 989 (2.03, 7.84, 118.81 ppm):
    24 chemical-shift based assignments, quality = 0.503, support = 5.97, residual support = 42.7:
          HB2   GLN   30 - HN    LEU   31   3.59 +/- 0.40  34.278% * 34.1074% (0.48   6.16  51.62) =  47.293%  kept
          HG3   GLN   30 - HN    LEU   31   4.92 +/- 0.64  17.006% * 49.3653% (0.60   7.20  51.62) =  33.960%  kept
          HB2   ARG+  54 - HN    PHE   55   3.69 +/- 0.41  31.915% * 14.4733% (0.39   3.26   4.31) =  18.685%  kept
          HB3   GLU- 100 - HN    LEU   31  14.94 +/- 5.78   5.285% *  0.1200% (0.52   0.02   0.02) =   0.026%
          HB    ILE  119 - HN    PHE   55  12.38 +/- 2.00   1.082% *  0.1462% (0.64   0.02   0.02) =   0.006%
          HB2   LYS+ 111 - HN    PHE   55  12.22 +/- 2.72   1.211% *  0.1034% (0.45   0.02   0.02) =   0.005%
          HB2   PRO   93 - HN    PHE   55  10.25 +/- 3.14   2.835% *  0.0406% (0.18   0.02   0.02) =   0.005%
          QB    GLU-  15 - HN    LEU   31  12.69 +/- 2.36   0.995% *  0.0673% (0.29   0.02   0.02) =   0.003%
          HB3   GLU-  25 - HN    LEU   31  10.26 +/- 0.43   1.484% *  0.0427% (0.19   0.02   0.02) =   0.003%
          HB2   GLN   17 - HN    LEU   31  14.56 +/- 2.45   0.897% *  0.0673% (0.29   0.02   0.02) =   0.002%
          HB    VAL  108 - HN    PHE   55  16.75 +/- 3.92   0.548% *  0.1034% (0.45   0.02   0.02) =   0.002%
          HB3   PRO   68 - HN    LEU   31  19.52 +/- 2.43   0.322% *  0.1200% (0.52   0.02   0.02) =   0.002%
          HB3   PRO   68 - HN    PHE   55  20.83 +/- 3.20   0.237% *  0.1584% (0.69   0.02   0.02) =   0.002%
          HG3   GLN   30 - HN    PHE   55  24.51 +/- 3.72   0.160% *  0.1809% (0.79   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    PHE   55  24.31 +/- 3.56   0.164% *  0.1462% (0.64   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    LEU   31  25.90 +/- 4.83   0.256% *  0.0673% (0.29   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    LEU   31  23.56 +/- 3.29   0.152% *  0.1107% (0.48   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    PHE   55  24.07 +/- 4.19   0.153% *  0.0889% (0.39   0.02   0.02) =   0.001%
          HB2   PRO   93 - HN    LEU   31  20.91 +/- 3.63   0.423% *  0.0308% (0.13   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    LEU   31  22.23 +/- 2.62   0.152% *  0.0783% (0.34   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    PHE   55  29.78 +/- 2.80   0.065% *  0.1584% (0.69   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   55  27.32 +/- 4.67   0.171% *  0.0563% (0.25   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   55  26.15 +/- 3.70   0.107% *  0.0889% (0.39   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LEU   31  27.08 +/- 3.22   0.104% *  0.0783% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 990 (1.34, 7.85, 118.81 ppm):
    24 chemical-shift based assignments, quality = 0.777, support = 7.14, residual support = 231.3:
      O   HB2   LEU   31 - HN    LEU   31   2.58 +/- 0.15  82.255% * 98.5368% (0.78  10.0   7.14 231.30) =  99.986%  kept
          HG    LEU   98 - HN    LEU   31  13.11 +/- 4.31   1.717% *  0.1023% (0.81   1.0   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HN    LEU   31  15.16 +/- 2.40   1.025% *  0.1177% (0.93   1.0   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    PHE   55   9.74 +/- 2.93   2.835% *  0.0418% (0.33   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    LEU   31  14.79 +/- 5.20   1.895% *  0.0574% (0.45   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HN    LEU   31  11.38 +/- 2.28   2.006% *  0.0443% (0.35   1.0   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    LEU   31  16.49 +/- 5.24   0.680% *  0.1116% (0.88   1.0   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    LEU   31  16.38 +/- 2.96   0.617% *  0.1169% (0.92   1.0   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    PHE   55  12.95 +/- 2.27   1.214% *  0.0570% (0.45   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    PHE   55  12.69 +/- 2.87   1.135% *  0.0440% (0.35   1.0   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    LEU   31  15.47 +/- 3.16   0.539% *  0.0902% (0.71   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    PHE   55  12.76 +/- 1.83   0.836% *  0.0574% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    LEU   31  20.97 +/- 3.59   0.350% *  0.0857% (0.68   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    PHE   55  15.69 +/- 2.55   0.585% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    PHE   55  20.72 +/- 4.46   0.433% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   55  25.95 +/- 4.66   0.418% *  0.0481% (0.38   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   31  23.28 +/- 4.31   0.153% *  0.1116% (0.88   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   55  18.68 +/- 2.89   0.300% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   31  17.29 +/- 2.66   0.349% *  0.0233% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   31  27.47 +/- 3.24   0.090% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    PHE   55  23.04 +/- 3.31   0.160% *  0.0499% (0.39   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    PHE   55  19.02 +/- 2.51   0.252% *  0.0114% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   55  26.95 +/- 2.58   0.082% *  0.0280% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   55  29.43 +/- 4.23   0.073% *  0.0216% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 991 (1.13, 7.85, 118.81 ppm):
    14 chemical-shift based assignments, quality = 0.834, support = 7.14, residual support = 231.3:
      O   HB3   LEU   31 - HN    LEU   31   3.53 +/- 0.02  70.717% * 99.4260% (0.83  10.0   7.14 231.30) =  99.985%  kept
          QB    ALA   20 - HN    LEU   31  10.39 +/- 0.83   2.982% *  0.0994% (0.83   1.0   0.02   0.02) =   0.004%
          HG13  ILE  119 - HN    PHE   55  11.44 +/- 2.12   3.255% *  0.0499% (0.42   1.0   0.02   0.02) =   0.002%
          QG1   VAL   24 - HN    LEU   31   8.84 +/- 0.53   4.736% *  0.0247% (0.21   1.0   0.02   0.02) =   0.002%
          HD3   LYS+ 112 - HN    PHE   55   9.27 +/- 2.52   6.876% *  0.0167% (0.14   1.0   0.02   1.20) =   0.002%
          QG2   VAL  107 - HN    PHE   55  11.21 +/- 2.99   5.527% *  0.0167% (0.14   1.0   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    PHE   55  17.26 +/- 3.73   1.701% *  0.0485% (0.41   1.0   0.02   0.02) =   0.001%
          HG13  ILE  119 - HN    LEU   31  21.72 +/- 3.46   0.415% *  0.1023% (0.86   1.0   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    PHE   55  25.25 +/- 4.46   0.793% *  0.0485% (0.41   1.0   0.02   0.02) =   0.001%
          QG2   VAL  107 - HN    LEU   31  17.25 +/- 2.44   0.821% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    PHE   55  18.63 +/- 3.21   0.846% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    LEU   31  23.03 +/- 4.84   0.374% *  0.0583% (0.49   1.0   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    PHE   55  19.54 +/- 3.89   0.735% *  0.0120% (0.10   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LEU   31  27.01 +/- 4.24   0.223% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 992 (0.79, 7.85, 118.81 ppm):
    10 chemical-shift based assignments, quality = 0.627, support = 7.21, residual support = 209.4:
          HG    LEU   31 - HN    LEU   31   2.43 +/- 0.44  65.123% * 63.4772% (0.64   7.68 231.30) =  89.768%  kept
          QD1   ILE   56 - HN    PHE   55   4.57 +/- 1.18  17.805% * 20.4921% (0.45   3.52  21.30) =   7.923%  kept
          QD2   LEU   73 - HN    LEU   31   6.54 +/- 2.45   6.908% * 15.3049% (0.78   1.52   1.88) =   2.296%  kept
          QG1   VAL   41 - HN    LEU   31   6.75 +/- 2.46   7.567% *  0.0421% (0.16   0.02   0.02) =   0.007%
          QD2   LEU   73 - HN    PHE   55  15.74 +/- 3.64   1.286% *  0.0980% (0.38   0.02   0.02) =   0.003%
          QD1   ILE   56 - HN    LEU   31  19.08 +/- 3.24   0.257% *  0.2385% (0.92   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HN    PHE   55  18.60 +/- 3.28   0.356% *  0.0806% (0.31   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HN    LEU   31  22.36 +/- 4.87   0.173% *  0.1653% (0.64   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    PHE   55  23.91 +/- 4.40   0.265% *  0.0806% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    PHE   55  18.95 +/- 2.26   0.261% *  0.0206% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 993 (0.04, 7.85, 118.81 ppm):
    4 chemical-shift based assignments, quality = 0.184, support = 6.89, residual support = 231.1:
          QD2   LEU   31 - HN    LEU   31   2.25 +/- 0.60  94.133% * 97.7490% (0.18   6.90 231.30) =  99.922%  kept
          QG2   VAL   43 - HN    LEU   31   9.21 +/- 2.54   4.533% *  1.4200% (0.92   0.02   0.02) =   0.070%
          QG2   VAL   43 - HN    PHE   55  15.11 +/- 2.07   1.030% *  0.6927% (0.45   0.02   0.02) =   0.008%
          QD2   LEU   31 - HN    PHE   55  19.56 +/- 3.25   0.305% *  0.1383% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 994 (0.60, 7.85, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.621, support = 1.62, residual support = 1.81:
          QD1   LEU   73 - HN    LEU   31   5.94 +/- 2.82  29.701% * 57.8341% (0.60   1.92   1.88) =  80.455%  kept
          QD2   LEU   80 - HN    LEU   31  13.22 +/- 5.89   9.126% * 21.1509% (0.90   0.47   0.02) =   9.041%  kept
          QD1   LEU   63 - HN    LEU   31  13.74 +/- 3.18  10.743% * 11.7993% (0.60   0.39   0.02) =   5.937%  kept
          QD2   LEU  115 - HN    PHE   55   7.83 +/- 1.97  16.041% *  5.0302% (0.43   0.23   7.88) =   3.779%  kept
          QG1   VAL   83 - HN    LEU   31  12.46 +/- 4.92   6.903% *  0.6037% (0.60   0.02   0.02) =   0.195%  kept
          QD1   LEU  104 - HN    LEU   31  12.84 +/- 3.30   4.394% *  0.9250% (0.92   0.02   0.02) =   0.190%  kept
          QD1   LEU   63 - HN    PHE   55  10.60 +/- 2.72   9.740% *  0.2945% (0.29   0.02   0.02) =   0.134%  kept
          QD2   LEU   80 - HN    PHE   55  18.42 +/- 4.29   6.237% *  0.4393% (0.44   0.02   0.02) =   0.128%  kept
          QD1   LEU   73 - HN    PHE   55  16.69 +/- 3.64   3.900% *  0.2945% (0.29   0.02   0.02) =   0.054%
          QD2   LEU  115 - HN    LEU   31  18.65 +/- 3.05   1.264% *  0.8828% (0.88   0.02   0.02) =   0.052%
          QD1   LEU  104 - HN    PHE   55  19.42 +/- 2.59   0.772% *  0.4512% (0.45   0.02   0.02) =   0.016%
          QG1   VAL   83 - HN    PHE   55  19.07 +/- 2.87   1.181% *  0.2945% (0.29   0.02   0.02) =   0.016%
    Distance limit 4.83 A violated in 2 structures by 0.31 A, kept.
 
    Peak 995 (1.90, 7.85, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.664, support = 8.16, residual support = 50.9:
          HB3   GLN   30 - HN    LEU   31   3.03 +/- 0.24  73.913% * 88.1402% (0.68   8.26  51.62) =  97.690%  kept
          HB    ILE   56 - HN    PHE   55   5.57 +/- 0.78  15.064% * 10.1284% (0.17   3.76  21.30) =   2.288%  kept
          HB3   PRO   58 - HN    PHE   55   9.87 +/- 1.36   2.707% *  0.1405% (0.44   0.02   0.02) =   0.006%
          HB2   MET   92 - HN    PHE   55  12.38 +/- 3.56   2.387% *  0.1244% (0.39   0.02   0.02) =   0.004%
          HB3   LYS+  38 - HN    LEU   31  12.32 +/- 1.92   1.849% *  0.1546% (0.49   0.02   0.02) =   0.004%
          HB3   PRO   58 - HN    LEU   31  22.03 +/- 3.76   0.381% *  0.2881% (0.91   0.02   0.02) =   0.002%
          HG3   MET   11 - HN    LEU   31  21.92 +/- 4.45   0.491% *  0.1664% (0.53   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HN    LEU   31  16.00 +/- 3.13   0.689% *  0.1103% (0.35   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    LEU   31  22.64 +/- 3.44   0.287% *  0.2549% (0.81   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    LEU   31  23.36 +/- 3.96   0.508% *  0.1103% (0.35   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    LEU   31  15.13 +/- 2.80   0.741% *  0.0453% (0.14   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    PHE   55  24.09 +/- 3.64   0.246% *  0.1041% (0.33   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   55  28.38 +/- 4.44   0.136% *  0.0754% (0.24   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   55  18.08 +/- 2.25   0.437% *  0.0221% (0.07   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   55  29.83 +/- 4.88   0.111% *  0.0538% (0.17   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   55  37.56 +/- 5.47   0.053% *  0.0812% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 996 (2.72, 7.85, 118.81 ppm):
    6 chemical-shift based assignments, quality = 0.552, support = 6.08, residual support = 42.5:
          HG2   GLN   30 - HN    LEU   31   4.88 +/- 0.33  49.619% * 68.3390% (0.49   7.55  51.62) =  71.568%  kept
          HB3   ASN   28 - HN    LEU   31   5.13 +/- 0.24  42.921% * 31.3750% (0.71   2.39  19.47) =  28.422%  kept
          HB3   ASN   28 - HN    PHE   55  27.12 +/- 5.27   2.170% *  0.1283% (0.35   0.02   0.02) =   0.006%
          QE    LYS+ 121 - HN    PHE   55  16.23 +/- 3.09   3.408% *  0.0227% (0.06   0.02   0.02) =   0.002%
          QE    LYS+ 121 - HN    LEU   31  19.84 +/- 4.95   1.336% *  0.0466% (0.13   0.02   0.02) =   0.001%
          HG2   GLN   30 - HN    PHE   55  24.97 +/- 3.86   0.547% *  0.0883% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.45 A violated in 0 structures by 0.06 A, kept.
 
    Peak 997 (3.85, 7.85, 118.81 ppm):
    18 chemical-shift based assignments, quality = 0.637, support = 6.65, residual support = 51.5:
      O   HA    GLN   30 - HN    LEU   31   3.57 +/- 0.04  57.294% * 98.0732% (0.64  10.0   6.67  51.62) =  99.676%  kept
          HB2   CYS   53 - HN    PHE   55   5.15 +/- 0.21  19.350% *  0.8643% (0.13   1.0   0.89   0.02) =   0.297%  kept
          HD3   PRO   52 - HN    PHE   55   6.59 +/- 0.38   9.475% *  0.0532% (0.35   1.0   0.02   0.43) =   0.009%
          HB    THR   39 - HN    LEU   31  10.57 +/- 2.00   3.431% *  0.1037% (0.68   1.0   0.02   0.02) =   0.006%
          HB3   SER   37 - HN    LEU   31  10.75 +/- 1.19   2.386% *  0.0808% (0.53   1.0   0.02   0.02) =   0.003%
          HB3   SER   82 - HN    LEU   31  18.53 +/- 5.97   0.964% *  0.1399% (0.91   1.0   0.02   0.02) =   0.002%
          QB    SER   13 - HN    LEU   31  15.34 +/- 2.83   1.023% *  0.1091% (0.71   1.0   0.02   0.02) =   0.002%
          HB2   CYS   53 - HN    LEU   31  23.08 +/- 4.22   1.308% *  0.0397% (0.26   1.0   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    LEU   31  18.99 +/- 2.81   0.517% *  0.0808% (0.53   1.0   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    LEU   31  26.78 +/- 4.12   0.307% *  0.1091% (0.71   1.0   0.02   0.02) =   0.001%
          HB    THR  118 - HN    PHE   55  12.79 +/- 2.19   1.967% *  0.0155% (0.10   1.0   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    PHE   55  17.53 +/- 2.74   0.616% *  0.0394% (0.26   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    PHE   55  24.22 +/- 3.97   0.329% *  0.0683% (0.44   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    PHE   55  26.40 +/- 3.98   0.243% *  0.0478% (0.31   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    PHE   55  25.27 +/- 3.21   0.204% *  0.0506% (0.33   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   31  21.67 +/- 2.95   0.314% *  0.0318% (0.21   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    PHE   55  28.92 +/- 4.16   0.127% *  0.0532% (0.35   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    PHE   55  28.25 +/- 3.63   0.146% *  0.0394% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 998 (4.13, 7.87, 121.30 ppm):
    18 chemical-shift based assignments, quality = 0.612, support = 6.57, residual support = 170.5:
      O   HA    ARG+  54 - HN    ARG+  54   2.73 +/- 0.05  86.207% * 99.0002% (0.61  10.0   6.57 170.49) =  99.992%  kept
          HA    LEU  115 - HN    ARG+  54  12.48 +/- 2.46   1.403% *  0.1527% (0.94   1.0   0.02   0.02) =   0.003%
          HA    ASN   28 - HN    ARG+  54  24.60 +/- 4.67   0.700% *  0.1530% (0.95   1.0   0.02   0.02) =   0.001%
          HA    ARG+  54 - HN    ASP-  62   9.94 +/- 2.07   4.687% *  0.0185% (0.11   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    ARG+  54  15.12 +/- 2.23   0.632% *  0.0990% (0.61   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    ASP-  62  10.86 +/- 1.26   1.905% *  0.0286% (0.18   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    ASP-  62  14.63 +/- 1.92   1.191% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ARG+  54  26.22 +/- 3.68   0.143% *  0.1448% (0.89   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ASP-  62  18.93 +/- 3.82   0.674% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ARG+  54  22.98 +/- 4.01   0.230% *  0.0805% (0.50   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ARG+  54  28.93 +/- 3.63   0.113% *  0.1225% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ARG+  54  26.21 +/- 4.44   0.248% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ARG+  54  18.18 +/- 3.22   0.410% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ASP-  62  18.50 +/- 2.04   0.346% *  0.0271% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASP-  62  17.42 +/- 1.64   0.359% *  0.0151% (0.09   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASP-  62  23.37 +/- 2.23   0.152% *  0.0229% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ASP-  62  20.31 +/- 2.81   0.283% *  0.0088% (0.05   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASP-  62  18.87 +/- 2.60   0.316% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1000 (3.68, 6.63, 116.57 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.1, residual support = 84.6:
      O   HB2   TRP   49 - HN    TRP   49   3.47 +/- 0.36  91.776% * 99.6106% (0.98  10.0   4.10  84.63) =  99.991%  kept
          HA    ALA   84 - HN    TRP   49  14.27 +/- 2.67   3.028% *  0.1007% (0.99   1.0   0.02   0.02) =   0.003%
          HA2   GLY  109 - HN    TRP   49  15.94 +/- 4.42   2.647% *  0.0911% (0.90   1.0   0.02   0.02) =   0.003%
          HA    THR  118 - HN    TRP   49  20.69 +/- 4.34   1.516% *  0.1014% (1.00   1.0   0.02   0.02) =   0.002%
          HA    ILE  119 - HN    TRP   49  19.81 +/- 3.94   1.033% *  0.0961% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1001 (0.37, 11.10, 134.86 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 2.54, residual support = 16.2:
          QB    ALA   47 - HE1   TRP   49   2.69 +/- 1.12  68.482% * 98.5612% (1.00   2.54  16.20) =  99.825%  kept
          HG2   LYS+ 112 - HE1   TRP   49  14.14 +/- 5.06  16.028% *  0.5343% (0.69   0.02   0.02) =   0.127%  kept
          QB    ALA   64 - HE1   TRP   49  14.88 +/- 2.75  13.995% *  0.1539% (0.20   0.02   0.02) =   0.032%
          QG1   VAL   42 - HE1   TRP   49  14.02 +/- 2.30   1.495% *  0.7506% (0.97   0.02   0.02) =   0.017%
    Distance limit 4.58 A violated in 1 structures by 0.08 A, kept.
 
    Peak 1002 (0.37, 6.63, 116.57 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 3.73, residual support = 16.2:
          QB    ALA   47 - HN    TRP   49   2.69 +/- 0.28  96.073% * 99.0166% (1.00   3.73  16.20) =  99.985%  kept
          QG1   VAL   42 - HN    TRP   49  14.38 +/- 2.14   1.473% *  0.5131% (0.97   0.02   0.02) =   0.008%
          HG2   LYS+ 112 - HN    TRP   49  15.69 +/- 3.87   1.697% *  0.3652% (0.69   0.02   0.02) =   0.007%
          QB    ALA   64 - HN    TRP   49  14.49 +/- 2.34   0.756% *  0.1052% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1003 (3.82, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.881, support = 0.176, residual support = 0.02:
          HB2   CYS   53 - HN    ALA   47   5.83 +/- 1.49  51.841% * 72.7689% (0.90   0.19   0.02) =  94.020%  kept
          HD3   PRO   52 - HN    ALA   47   7.92 +/- 2.03  25.756% *  3.5978% (0.41   0.02   0.02) =   2.310%  kept
          HD2   PRO   58 - HN    ALA   47  12.02 +/- 3.14  12.906% *  7.0075% (0.80   0.02   0.02) =   2.254%  kept
          HA    VAL   83 - HN    ALA   47  15.64 +/- 2.58   6.973% *  6.3548% (0.73   0.02   0.02) =   1.104%  kept
          HA    GLN   30 - HN    ALA   47  22.19 +/- 3.73   1.509% *  4.2597% (0.49   0.02   0.02) =   0.160%  kept
          HA    GLU- 100 - HN    ALA   47  24.88 +/- 2.40   1.015% *  6.0114% (0.69   0.02   0.02) =   0.152%  kept
    Distance limit 4.49 A violated in 8 structures by 1.21 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 1004 (2.28, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 3.13, residual support = 39.7:
      O   HB2   ASP-  44 - HN    ASP-  44   2.84 +/- 0.44  80.889% * 96.3425% (0.87  10.0   3.14  39.89) =  99.570%  kept
          HB3   PHE   72 - HN    ASP-  44   6.90 +/- 1.34  10.326% *  3.2070% (0.76   1.0   0.76   0.02) =   0.423%  kept
          QG    GLN   90 - HN    ASP-  44  12.03 +/- 2.20   4.288% *  0.0763% (0.69   1.0   0.02   0.02) =   0.004%
          QG    GLU-  15 - HN    ASP-  44  16.71 +/- 2.47   0.536% *  0.1051% (0.95   1.0   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    ASP-  44  13.19 +/- 2.17   1.346% *  0.0379% (0.34   1.0   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    ASP-  44  18.00 +/- 2.94   0.421% *  0.0928% (0.84   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ASP-  44  12.58 +/- 1.68   1.533% *  0.0195% (0.18   1.0   0.02   0.19) =   0.000%
          QB    MET   11 - HN    ASP-  44  24.26 +/- 3.34   0.207% *  0.0996% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP-  44  20.03 +/- 2.36   0.455% *  0.0195% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1005 (1.70, 8.78, 123.55 ppm):
    11 chemical-shift based assignments, quality = 0.834, support = 1.13, residual support = 2.53:
          HB2   LEU   73 - HN    ASP-  44   8.07 +/- 2.08  25.487% * 68.9644% (0.87   1.25   2.88) =  87.403%  kept
          HB3   MET   92 - HN    ASP-  44  11.59 +/- 1.24   7.220% * 19.9224% (0.73   0.43   0.19) =   7.152%  kept
          HG3   PRO   93 - HN    ASP-  44  11.88 +/- 1.82  10.200% *  3.4821% (0.31   0.18   0.02) =   1.766%  kept
          HB    ILE   89 - HN    ASP-  44   9.59 +/- 1.69  15.073% *  2.2980% (0.15   0.23   0.02) =   1.722%  kept
          QD    LYS+ 106 - HN    ASP-  44  10.08 +/- 2.21  15.177% *  1.2484% (0.98   0.02   0.02) =   0.942%  kept
          QG1   ILE   56 - HN    ASP-  44  10.81 +/- 1.87  11.457% *  0.7725% (0.61   0.02   0.02) =   0.440%  kept
          QD    LYS+  99 - HN    ASP-  44  14.37 +/- 2.58   4.814% *  1.2623% (0.99   0.02   0.02) =   0.302%  kept
          HB3   LYS+  99 - HN    ASP-  44  14.83 +/- 2.29   3.578% *  0.6199% (0.49   0.02   0.02) =   0.110%  kept
          HD2   LYS+ 111 - HN    ASP-  44  17.63 +/- 2.52   2.345% *  0.7725% (0.61   0.02   0.02) =   0.090%
          HB2   LEU  123 - HN    ASP-  44  19.30 +/- 2.78   1.839% *  0.4344% (0.34   0.02   0.02) =   0.040%
          QD    LYS+ 102 - HN    ASP-  44  16.14 +/- 2.85   2.811% *  0.2230% (0.18   0.02   0.02) =   0.031%
    Distance limit 4.62 A violated in 11 structures by 1.60 A, kept.
 
    Peak 1006 (1.51, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.553, support = 1.12, residual support = 4.35:
          HB2   LYS+  74 - HN    ASP-  44   8.21 +/- 3.04  25.771% * 63.2116% (0.65   1.14   4.48) =  70.443%  kept
          HD3   LYS+  74 - HN    ASP-  44   8.90 +/- 3.56  21.747% * 28.4632% (0.28   1.19   4.48) =  26.766%  kept
          HG2   LYS+  65 - HN    ASP-  44  12.41 +/- 2.86   9.729% *  1.6236% (0.95   0.02   0.02) =   0.683%  kept
          QG2   THR   26 - HN    ASP-  44  11.95 +/- 1.99   8.658% *  1.5392% (0.90   0.02   0.02) =   0.576%  kept
          HD2   LYS+ 121 - HN    ASP-  44  15.67 +/- 3.32   7.737% *  1.6823% (0.98   0.02   0.02) =   0.563%  kept
          QD    LYS+  66 - HN    ASP-  44  13.88 +/- 2.06   5.751% *  1.5392% (0.90   0.02   0.02) =   0.383%  kept
          HG    LEU  104 - HN    ASP-  44  13.55 +/- 2.77   8.610% *  0.7056% (0.41   0.02   0.02) =   0.263%  kept
          HB3   LYS+ 121 - HN    ASP-  44  16.01 +/- 3.20   6.319% *  0.7056% (0.41   0.02   0.02) =   0.193%  kept
          HB3   LYS+ 111 - HN    ASP-  44  16.03 +/- 2.60   5.679% *  0.5297% (0.31   0.02   0.02) =   0.130%  kept
    Distance limit 4.77 A violated in 10 structures by 1.92 A, kept.
 
    Peak 1007 (1.35, 8.78, 123.55 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 4.01, residual support = 39.8:
      O   HB3   ASP-  44 - HN    ASP-  44   3.38 +/- 0.40  64.385% * 97.7593% (0.99  10.0   4.02  39.89) =  99.743%  kept
          QB    ALA   84 - HN    ASP-  44   9.43 +/- 1.79   9.393% *  1.5264% (0.87   1.0   0.36   0.02) =   0.227%  kept
          HB2   LEU   63 - HN    ASP-  44   8.89 +/- 1.95   6.172% *  0.0933% (0.95   1.0   0.02   0.02) =   0.009%
          HB3   PRO   93 - HN    ASP-  44   9.96 +/- 1.45   3.989% *  0.0824% (0.84   1.0   0.02   0.02) =   0.005%
          HB3   LEU   80 - HN    ASP-  44  11.45 +/- 3.65   3.614% *  0.0856% (0.87   1.0   0.02   0.02) =   0.005%
          HG    LEU   98 - HN    ASP-  44  10.96 +/- 2.67   2.796% *  0.0933% (0.95   1.0   0.02   0.02) =   0.004%
          HB2   LEU   31 - HN    ASP-  44  13.33 +/- 2.53   1.582% *  0.0716% (0.73   1.0   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    ASP-  44  10.51 +/- 2.33   4.041% *  0.0274% (0.28   1.0   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HN    ASP-  44  17.12 +/- 2.35   0.704% *  0.0638% (0.65   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    ASP-  44  19.58 +/- 2.44   0.426% *  0.0978% (0.99   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    ASP-  44  16.01 +/- 2.68   0.778% *  0.0370% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ASP-  44  15.98 +/- 3.12   1.056% *  0.0195% (0.20   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  44  18.01 +/- 1.36   0.459% *  0.0274% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP-  44  18.22 +/- 3.12   0.604% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1008 (0.75, 8.78, 123.55 ppm):
    7 chemical-shift based assignments, quality = 0.895, support = 4.79, residual support = 16.2:
          QG1   VAL   43 - HN    ASP-  44   3.93 +/- 0.66  53.207% * 90.8736% (0.90   4.88  16.56) =  98.055%  kept
          QG1   VAL   41 - HN    ASP-  44   8.15 +/- 0.90   7.863% *  5.7352% (0.73   0.38   0.02) =   0.915%  kept
          QG2   THR   46 - HN    ASP-  44   6.01 +/- 1.18  19.210% *  2.3248% (0.99   0.11   0.17) =   0.906%  kept
          QG2   VAL   18 - HN    ASP-  44   9.06 +/- 2.52   9.516% *  0.4146% (1.00   0.02   0.02) =   0.080%
          QD1   ILE   19 - HN    ASP-  44  11.21 +/- 1.90   3.918% *  0.3176% (0.76   0.02   0.02) =   0.025%
          QD2   LEU  104 - HN    ASP-  44  11.98 +/- 2.03   2.735% *  0.2520% (0.61   0.02   0.02) =   0.014%
          HG    LEU   31 - HN    ASP-  44  11.41 +/- 2.31   3.551% *  0.0822% (0.20   0.02   0.02) =   0.006%
    Distance limit 4.34 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1009 (0.06, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.631, support = 3.79, residual support = 15.9:
          QG2   VAL   43 - HN    ASP-  44   3.66 +/- 0.43  58.935% * 83.9045% (0.65   3.92  16.56) =  95.701%  kept
          QD1   ILE   89 - HN    ASP-  44   6.05 +/- 1.52  23.880% *  5.4070% (0.14   1.21   0.02) =   2.499%  kept
          QG2   VAL   83 - HN    ASP-  44   8.55 +/- 2.03   9.550% *  5.9641% (0.31   0.58   0.02) =   1.102%  kept
          QD2   LEU   31 - HN    ASP-  44   8.90 +/- 1.81   7.635% *  4.7244% (0.76   0.19   0.02) =   0.698%  kept
    Distance limit 3.56 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1010 (4.84, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.507, support = 0.02, residual support = 0.02:
          HA    PHE   45 - HN    VAL   43   8.09 +/- 0.50  68.571% * 36.5033% (0.53   0.02   0.02) =  73.961%  kept
          HA    THR   23 - HN    VAL   43  14.45 +/- 3.45  21.356% * 21.4145% (0.31   0.02   0.02) =  13.513%  kept
          HA    ASP-  78 - HN    VAL   43  16.15 +/- 1.96  10.073% * 42.0822% (0.61   0.02   0.02) =  12.526%  kept
    Distance limit 4.66 A violated in 19 structures by 3.14 A, eliminated.
    Peak unassigned.
 
    Peak 1011 (5.33, 9.16, 125.94 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 1.5, residual support = 15.3:
          HA    MET   96 - HN    VAL   43   6.17 +/- 2.70 100.000% *100.0000% (0.53   1.50  15.29) = 100.000%  kept
    Distance limit 4.66 A violated in 6 structures by 1.55 A, kept.
 
    Peak 1012 (2.21, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.962, support = 2.94, residual support = 15.2:
          HB2   MET   96 - HN    VAL   43   5.01 +/- 2.79  51.838% * 94.2540% (0.97   2.96  15.29) =  99.307%  kept
          HB3   ASP-  76 - HN    VAL   43  12.92 +/- 2.42   4.188% *  3.5646% (0.49   0.22   0.02) =   0.303%  kept
          HB    VAL   70 - HN    VAL   43   9.28 +/- 2.83  20.925% *  0.5924% (0.90   0.02   0.02) =   0.252%  kept
          HB2   ASP- 105 - HN    VAL   43   9.95 +/- 2.92  14.740% *  0.1837% (0.28   0.02   0.02) =   0.055%
          QG    GLN   17 - HN    VAL   43  14.14 +/- 2.49   3.611% *  0.5517% (0.84   0.02   0.02) =   0.040%
          HB2   GLU-  25 - HN    VAL   43  17.06 +/- 2.90   2.848% *  0.4797% (0.73   0.02   0.02) =   0.028%
          HG2   GLU- 100 - HN    VAL   43  14.91 +/- 3.33   1.851% *  0.3740% (0.57   0.02   0.02) =   0.014%
    Distance limit 4.70 A violated in 2 structures by 0.34 A, kept.
 
    Peak 1013 (1.76, 9.16, 125.94 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.22, residual support = 61.0:
      O   HB    VAL   43 - HN    VAL   43   2.86 +/- 0.56  91.554% * 99.7821% (0.87  10.0   4.22  61.01) =  99.995%  kept
          HB2   LYS+  99 - HN    VAL   43  10.93 +/- 3.83   2.745% *  0.0879% (0.76   1.0   0.02   0.02) =   0.003%
          QD    LYS+  81 - HN    VAL   43  16.04 +/- 3.37   1.635% *  0.0921% (0.80   1.0   0.02   0.02) =   0.002%
          HB    ILE   89 - HN    VAL   43  10.56 +/- 2.01   3.301% *  0.0201% (0.18   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    VAL   43  16.06 +/- 2.87   0.765% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1014 (1.37, 9.16, 125.94 ppm):
    15 chemical-shift based assignments, quality = 0.815, support = 5.33, residual support = 36.8:
          HB    VAL   42 - HN    VAL   43   4.34 +/- 0.19  28.272% * 74.6342% (0.84   5.71  39.68) =  91.082%  kept
          HB3   LEU   73 - HN    VAL   43   8.36 +/- 2.70   9.292% * 11.8358% (0.90   0.84   2.38) =   4.747%  kept
          HB3   ASP-  44 - HN    VAL   43   6.68 +/- 0.49   8.552% *  9.6052% (0.25   2.46  16.56) =   3.546%  kept
          QB    ALA   84 - HN    VAL   43  10.82 +/- 2.20   3.508% *  1.8223% (0.61   0.19   0.02) =   0.276%  kept
          HG3   LYS+ 106 - HN    VAL   43   8.14 +/- 3.01   8.537% *  0.3122% (1.00   0.02   0.02) =   0.115%  kept
          HG    LEU   98 - HN    VAL   43   8.16 +/- 3.82  11.042% *  0.1523% (0.49   0.02   0.02) =   0.073%
          HB3   PRO   93 - HN    VAL   43  11.43 +/- 2.31   8.149% *  0.2024% (0.65   0.02   0.02) =   0.071%
          QB    LEU   98 - HN    VAL   43   7.04 +/- 3.26  14.439% *  0.0548% (0.18   0.02   0.02) =   0.034%
          HG3   LYS+  65 - HN    VAL   43  14.11 +/- 2.10   1.284% *  0.2613% (0.84   0.02   0.02) =   0.014%
          HG3   LYS+ 102 - HN    VAL   43  15.25 +/- 4.24   0.921% *  0.2888% (0.92   0.02   0.02) =   0.011%
          HG3   LYS+  33 - HN    VAL   43  13.92 +/- 1.50   0.968% *  0.2391% (0.76   0.02   0.02) =   0.010%
          HB2   LEU   63 - HN    VAL   43   9.79 +/- 1.97   3.688% *  0.0548% (0.18   0.02   0.02) =   0.009%
          HB2   LYS+ 112 - HN    VAL   43  16.96 +/- 2.55   0.594% *  0.3019% (0.97   0.02   0.02) =   0.008%
          QB    ALA  124 - HN    VAL   43  19.16 +/- 3.41   0.433% *  0.1174% (0.38   0.02   0.02) =   0.002%
          QB    ALA   12 - HN    VAL   43  20.38 +/- 2.75   0.320% *  0.1174% (0.38   0.02   0.02) =   0.002%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1015 (0.75, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.889, support = 5.22, residual support = 58.6:
          QG1   VAL   43 - HN    VAL   43   2.44 +/- 0.72  77.276% * 68.6976% (0.90   5.32  61.01) =  95.943%  kept
          QG1   VAL   41 - HN    VAL   43   6.66 +/- 0.48   7.300% * 30.2781% (0.73   2.90   1.82) =   3.995%  kept
          QG2   THR   46 - HN    VAL   43   9.04 +/- 1.29   4.951% *  0.2854% (0.99   0.02   0.02) =   0.026%
          QG2   VAL   18 - HN    VAL   43  10.41 +/- 2.22   3.751% *  0.2873% (1.00   0.02   0.02) =   0.019%
          QD2   LEU  104 - HN    VAL   43   9.18 +/- 2.86   2.936% *  0.1746% (0.61   0.02   0.02) =   0.009%
          QD1   ILE   19 - HN    VAL   43  11.28 +/- 1.84   1.381% *  0.2200% (0.76   0.02   0.02) =   0.005%
          HG    LEU   31 - HN    VAL   43   9.99 +/- 2.05   2.406% *  0.0570% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1016 (0.56, 9.16, 125.94 ppm):
    8 chemical-shift based assignments, quality = 0.714, support = 2.13, residual support = 1.82:
          QG2   VAL   41 - HN    VAL   43   5.08 +/- 0.62  26.337% * 90.2046% (0.73   2.24   1.82) =  94.656%  kept
          QD1   LEU   73 - HN    VAL   43   7.37 +/- 2.02  14.965% *  6.6836% (0.45   0.27   2.38) =   3.985%  kept
          QD2   LEU   63 - HN    VAL   43   8.44 +/- 2.49  11.285% *  1.0854% (0.98   0.02   0.02) =   0.488%  kept
          QD2   LEU   98 - HN    VAL   43   6.69 +/- 3.23  20.621% *  0.5826% (0.53   0.02   0.02) =   0.479%  kept
          QD1   LEU   63 - HN    VAL   43   8.10 +/- 2.00   8.747% *  0.4964% (0.45   0.02   0.02) =   0.173%  kept
          QD1   LEU   80 - HN    VAL   43  12.19 +/- 4.04   5.523% *  0.5826% (0.53   0.02   0.02) =   0.128%  kept
          QD2   LEU  115 - HN    VAL   43  10.91 +/- 2.82   6.480% *  0.1939% (0.18   0.02   0.02) =   0.050%
          QD2   LEU   80 - HN    VAL   43  11.86 +/- 4.05   6.042% *  0.1709% (0.15   0.02   0.02) =   0.041%
    Distance limit 4.42 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1017 (0.37, 9.16, 125.94 ppm):
    4 chemical-shift based assignments, quality = 0.964, support = 5.12, residual support = 39.6:
          QG1   VAL   42 - HN    VAL   43   2.66 +/- 0.35  89.855% * 97.3501% (0.97   5.13  39.68) =  99.801%  kept
          QB    ALA   64 - HN    VAL   43   7.45 +/- 1.41   8.486% *  1.9877% (0.20   0.51   0.02) =   0.192%  kept
          QB    ALA   47 - HN    VAL   43  12.67 +/- 1.51   1.149% *  0.3922% (1.00   0.02   0.02) =   0.005%
          HG2   LYS+ 112 - HN    VAL   43  16.86 +/- 3.17   0.510% *  0.2700% (0.69   0.02   0.02) =   0.002%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1018 (0.08, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.877, support = 0.02, residual support = 0.02:
          QD1   ILE   89 - HN    VAL   43   6.58 +/- 1.77  45.286% * 34.1913% (0.90   0.02   0.02) =  46.955%  kept
          QD2   LEU   31 - HN    VAL   43   7.70 +/- 1.45  32.249% * 27.6841% (0.73   0.02   0.02) =  27.073%  kept
          QG2   VAL   83 - HN    VAL   43   9.32 +/- 2.98  22.465% * 38.1246% (1.00   0.02   0.02) =  25.972%  kept
    Distance limit 4.13 A violated in 8 structures by 1.54 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 1019 (1.83, 8.95, 126.35 ppm):
    13 chemical-shift based assignments, quality = 0.955, support = 5.96, residual support = 29.1:
          HB    VAL   41 - HN    VAL   42   3.66 +/- 0.74  53.721% * 94.4264% (0.97   6.03  29.45) =  98.680%  kept
          HB2   LEU   71 - HN    VAL   42   7.57 +/- 2.30  16.420% *  3.7772% (0.22   1.05   0.84) =   1.207%  kept
          HG12  ILE  103 - HN    VAL   42  10.86 +/- 4.33  11.963% *  0.3245% (1.00   0.02   0.02) =   0.076%
          QB    LYS+  66 - HN    VAL   42  11.56 +/- 1.49   1.737% *  0.2711% (0.84   0.02   0.02) =   0.009%
          HG2   PRO   93 - HN    VAL   42  16.02 +/- 2.19   1.250% *  0.1837% (0.57   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HN    VAL   42  11.70 +/- 3.63   4.423% *  0.0501% (0.15   0.02   0.02) =   0.004%
          QB    LYS+ 102 - HN    VAL   42  13.67 +/- 4.48   1.982% *  0.1107% (0.34   0.02   0.02) =   0.004%
          QB    LYS+  65 - HN    VAL   42  11.14 +/- 1.70   2.392% *  0.0809% (0.25   0.02   0.02) =   0.004%
          HB    ILE  103 - HN    VAL   42  13.12 +/- 4.28   2.805% *  0.0642% (0.20   0.02   0.02) =   0.004%
          HG    LEU  123 - HN    VAL   42  18.60 +/- 3.32   0.585% *  0.2910% (0.90   0.02   0.02) =   0.003%
          HB3   PRO   52 - HN    VAL   42  20.38 +/- 2.25   0.439% *  0.2910% (0.90   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    VAL   42  12.50 +/- 2.55   1.613% *  0.0723% (0.22   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    VAL   42  19.77 +/- 3.30   0.671% *  0.0568% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1020 (1.38, 8.95, 126.35 ppm):
    15 chemical-shift based assignments, quality = 0.979, support = 6.16, residual support = 89.0:
      O   HB    VAL   42 - HN    VAL   42   2.80 +/- 0.39  54.001% * 93.8199% (0.98  10.0   6.21  89.91) =  99.006%  kept
          HB3   LEU   73 - HN    VAL   42   7.59 +/- 2.40  14.298% *  2.3682% (0.95   1.0   0.52   0.49) =   0.662%  kept
          QB    LEU   98 - HN    VAL   42   8.34 +/- 4.00   5.079% *  3.1720% (0.57   1.0   1.17   0.37) =   0.315%  kept
          HB3   LYS+  74 - HN    VAL   42   9.65 +/- 2.86   9.742% *  0.0295% (0.31   1.0   0.02   0.02) =   0.006%
          QB    ALA   84 - HN    VAL   42  12.70 +/- 2.70   5.795% *  0.0189% (0.20   1.0   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    VAL   42  11.56 +/- 3.05   1.360% *  0.0731% (0.76   1.0   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HN    VAL   42  11.54 +/- 1.54   1.038% *  0.0955% (1.00   1.0   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HN    VAL   42  13.01 +/- 1.80   0.672% *  0.0938% (0.98   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    VAL   42  16.50 +/- 5.26   0.651% *  0.0884% (0.92   1.0   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    VAL   42   9.58 +/- 4.67   4.026% *  0.0130% (0.14   1.0   0.02   0.37) =   0.001%
          HD3   LYS+ 121 - HN    VAL   42  15.53 +/- 5.06   1.402% *  0.0266% (0.28   1.0   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    VAL   42  18.44 +/- 2.77   0.263% *  0.0799% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   42  18.88 +/- 2.75   0.252% *  0.0830% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    VAL   42  14.10 +/- 2.05   0.642% *  0.0213% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   42  14.51 +/- 3.82   0.779% *  0.0168% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1021 (0.91, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.979, support = 1.24, residual support = 1.78:
          QD1   LEU   40 - HN    VAL   42   4.40 +/- 1.17  71.964% * 97.9375% (0.98   1.25   1.79) =  99.509%  kept
          QD2   LEU   67 - HN    VAL   42   8.31 +/- 1.95  25.613% *  1.2828% (0.80   0.02   0.02) =   0.464%  kept
          QG1   VAL  108 - HN    VAL   42  14.69 +/- 1.41   2.423% *  0.7798% (0.49   0.02   0.02) =   0.027%
    Distance limit 4.62 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1022 (0.75, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.798, support = 5.3, residual support = 33.8:
          QG1   VAL   41 - HN    VAL   42   4.19 +/- 0.32  42.884% * 45.7605% (0.73   5.44  29.45) =  57.335%  kept
          QG1   VAL   43 - HN    VAL   42   5.23 +/- 1.02  27.241% * 53.4149% (0.90   5.14  39.68) =  42.513%  kept
          QG2   VAL   18 - HN    VAL   42   8.88 +/- 2.40   8.894% *  0.2313% (1.00   0.02   0.02) =   0.060%
          QD1   ILE   19 - HN    VAL   42   9.23 +/- 2.47   6.815% *  0.1771% (0.76   0.02   0.02) =   0.035%
          QG2   THR   46 - HN    VAL   42  10.09 +/- 1.48   4.411% *  0.2297% (0.99   0.02   0.02) =   0.030%
          QD2   LEU  104 - HN    VAL   42  10.01 +/- 3.71   4.733% *  0.1406% (0.61   0.02   0.02) =   0.019%
          HG    LEU   31 - HN    VAL   42   9.14 +/- 1.84   5.022% *  0.0459% (0.20   0.02   0.02) =   0.007%
    Distance limit 4.17 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1023 (0.56, 8.95, 126.35 ppm):
    8 chemical-shift based assignments, quality = 0.723, support = 6.08, residual support = 29.2:
          QG2   VAL   41 - HN    VAL   42   3.51 +/- 0.24  49.358% * 96.4506% (0.73   6.13  29.45) =  99.194%  kept
          QD1   LEU   73 - HN    VAL   42   6.84 +/- 1.76  12.672% *  2.3313% (0.45   0.24   0.49) =   0.616%  kept
          QD2   LEU   63 - HN    VAL   42   8.07 +/- 2.04   8.225% *  0.4249% (0.98   0.02   0.02) =   0.073%
          QD2   LEU   98 - HN    VAL   42   7.73 +/- 3.87  11.899% *  0.2280% (0.53   0.02   0.37) =   0.057%
          QD1   LEU   63 - HN    VAL   42   7.96 +/- 2.05   9.902% *  0.1943% (0.45   0.02   0.02) =   0.040%
          QD1   LEU   80 - HN    VAL   42  13.04 +/- 4.41   2.742% *  0.2280% (0.53   0.02   0.02) =   0.013%
          QD2   LEU   80 - HN    VAL   42  12.51 +/- 4.17   3.086% *  0.0669% (0.15   0.02   0.02) =   0.004%
          QD2   LEU  115 - HN    VAL   42  12.27 +/- 2.50   2.117% *  0.0759% (0.18   0.02   0.02) =   0.003%
    Distance limit 3.52 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1024 (0.36, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.45, residual support = 89.9:
          QG1   VAL   42 - HN    VAL   42   3.65 +/- 0.31  96.332% * 99.2608% (0.87   5.46  89.91) =  99.987%  kept
          QB    ALA   47 - HN    VAL   42  14.17 +/- 1.84   2.510% *  0.3206% (0.76   0.02   0.02) =   0.008%
          HG2   LYS+ 112 - HN    VAL   42  18.77 +/- 3.45   1.159% *  0.4186% (1.00   0.02   0.02) =   0.005%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1025 (0.15, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.59, support = 5.18, residual support = 86.2:
          QG2   VAL   42 - HN    VAL   42   2.91 +/- 0.63  55.324% * 88.0899% (0.61   5.36  89.91) =  95.830%  kept
          QG2   VAL   70 - HN    VAL   42   4.15 +/- 1.83  37.424% *  4.1662% (0.14   1.14   0.52) =   3.066%  kept
          QG2   VAL   75 - HN    VAL   42   6.86 +/- 1.45   7.253% *  7.7439% (0.45   0.64   0.02) =   1.104%  kept
    Distance limit 3.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1026 (1.82, 9.02, 128.16 ppm):
    10 chemical-shift based assignments, quality = 0.896, support = 4.67, residual support = 76.4:
      O   HB    VAL   41 - HN    VAL   41   3.33 +/- 0.44  66.515% * 98.6345% (0.90  10.0   4.67  76.54) =  99.873%  kept
          HB2   LEU   71 - HN    VAL   41   7.76 +/- 1.77   8.672% *  0.7891% (0.61   1.0   0.24   0.79) =   0.104%  kept
          HG12  ILE  103 - HN    VAL   41  10.59 +/- 5.36   7.745% *  0.0841% (0.76   1.0   0.02   0.02) =   0.010%
          QB    LYS+ 102 - HN    VAL   41  12.15 +/- 5.84   3.439% *  0.0841% (0.76   1.0   0.02   0.02) =   0.004%
          QB    LYS+  66 - HN    VAL   41  13.07 +/- 1.49   1.450% *  0.1090% (0.99   1.0   0.02   0.02) =   0.002%
          HB3   GLN   17 - HN    VAL   41  14.58 +/- 3.51   9.295% *  0.0170% (0.15   1.0   0.02   0.02) =   0.002%
          QB    LYS+  65 - HN    VAL   41  13.43 +/- 1.26   1.397% *  0.0711% (0.65   1.0   0.02   0.02) =   0.002%
          HG2   PRO   93 - HN    VAL   41  18.88 +/- 2.53   0.761% *  0.1040% (0.95   1.0   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    VAL   41  19.79 +/- 4.12   0.460% *  0.0535% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   41  23.37 +/- 2.53   0.267% *  0.0535% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1027 (1.43, 9.02, 128.16 ppm):
    13 chemical-shift based assignments, quality = 0.21, support = 4.16, residual support = 19.2:
          HG    LEU   40 - HN    VAL   41   4.06 +/- 0.88  47.227% * 68.9774% (0.18   4.49  20.92) =  91.976%  kept
          HG    LEU   73 - HN    VAL   41   9.38 +/- 2.60  13.134% * 18.1379% (0.61   0.34   0.02) =   6.726%  kept
          HB3   LEU   67 - HN    VAL   41  10.44 +/- 1.71   6.745% *  1.6581% (0.95   0.02   0.02) =   0.316%  kept
          QB    ALA   61 - HN    VAL   41  11.89 +/- 2.70   4.992% *  1.7490% (1.00   0.02   0.02) =   0.247%  kept
          HG12  ILE   19 - HN    VAL   41  11.11 +/- 3.08   5.550% *  1.5720% (0.90   0.02   0.02) =   0.246%  kept
          HB3   LYS+  74 - HN    VAL   41  12.67 +/- 3.06  10.034% *  0.5410% (0.31   0.02   0.02) =   0.153%  kept
          QG    LYS+  66 - HN    VAL   41  13.90 +/- 1.74   2.232% *  1.4036% (0.80   0.02   0.02) =   0.088%
          HG2   LYS+ 102 - HN    VAL   41  14.26 +/- 6.83   2.569% *  0.8532% (0.49   0.02   0.02) =   0.062%
          HG    LEU   80 - HN    VAL   41  17.87 +/- 5.11   1.172% *  1.6916% (0.97   0.02   0.02) =   0.056%
          HD3   LYS+ 121 - HN    VAL   41  15.84 +/- 6.52   2.745% *  0.5979% (0.34   0.02   0.02) =   0.046%
          QB    ALA  110 - HN    VAL   41  17.22 +/- 2.06   0.767% *  1.6581% (0.95   0.02   0.02) =   0.036%
          HB2   LEU   80 - HN    VAL   41  17.20 +/- 4.40   1.469% *  0.8532% (0.49   0.02   0.02) =   0.035%
          HB3   LEU  115 - HN    VAL   41  17.32 +/- 3.01   1.364% *  0.3070% (0.18   0.02   0.02) =   0.012%
    Distance limit 3.74 A violated in 0 structures by 0.31 A, kept.
 
    Peak 1028 (1.28, 9.02, 128.16 ppm):
    7 chemical-shift based assignments, quality = 0.773, support = 1.5, residual support = 6.68:
          QB    ALA   34 - HN    VAL   41   5.00 +/- 0.91  45.287% * 73.5804% (0.90   1.54   8.31) =  79.737%  kept
          QG2   THR   39 - HN    VAL   41   5.49 +/- 1.05  38.890% * 21.0509% (0.28   1.42   0.29) =  19.590%  kept
          HG3   LYS+  38 - HN    VAL   41   9.68 +/- 1.17   7.810% *  2.9993% (0.53   0.11   0.02) =   0.561%  kept
          QG2   THR   23 - HN    VAL   41  15.35 +/- 2.43   2.084% *  1.0588% (0.99   0.02   0.02) =   0.053%
          QG2   ILE   56 - HN    VAL   41  15.75 +/- 2.84   1.885% *  0.7757% (0.73   0.02   0.02) =   0.035%
          QG2   THR   77 - HN    VAL   41  13.65 +/- 1.82   2.721% *  0.2378% (0.22   0.02   0.02) =   0.015%
          QB    ALA   91 - HN    VAL   41  16.56 +/- 1.54   1.323% *  0.2970% (0.28   0.02   0.02) =   0.009%
    Distance limit 4.44 A violated in 1 structures by 0.21 A, kept.
 
    Peak 1029 (0.98, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.92, support = 4.73, residual support = 20.8:
          QD2   LEU   40 - HN    VAL   41   2.74 +/- 0.81  67.347% * 92.5394% (0.92   4.76  20.92) =  99.396%  kept
          QD2   LEU   71 - HN    VAL   41   8.12 +/- 1.38   4.996% *  5.7158% (0.65   0.42   0.79) =   0.455%  kept
          HG3   LYS+  74 - HN    VAL   41  14.08 +/- 3.21   8.552% *  0.4202% (1.00   0.02   0.02) =   0.057%
          QD1   LEU   67 - HN    VAL   41   8.18 +/- 1.61   7.011% *  0.3984% (0.95   0.02   0.02) =   0.045%
          QG2   ILE  103 - HN    VAL   41   9.77 +/- 4.12   3.412% *  0.4174% (0.99   0.02   0.02) =   0.023%
          QD1   ILE  103 - HN    VAL   41  10.11 +/- 4.37   3.212% *  0.2216% (0.53   0.02   0.02) =   0.011%
          HB    VAL   75 - HN    VAL   41  10.99 +/- 2.17   4.586% *  0.1437% (0.34   0.02   0.02) =   0.011%
          QG2   ILE  119 - HN    VAL   41  14.97 +/- 3.11   0.883% *  0.1437% (0.34   0.02   0.02) =   0.002%
    Distance limit 3.54 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1030 (0.76, 9.02, 128.16 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.53, residual support = 76.2:
          QG1   VAL   41 - HN    VAL   41   2.55 +/- 0.48  71.373% * 92.4668% (1.00   4.55  76.54) =  99.543%  kept
          QG1   VAL   43 - HN    VAL   41   7.20 +/- 1.02   4.236% *  6.2350% (0.95   0.32   1.82) =   0.398%  kept
          QD2   LEU   73 - HN    VAL   41   7.26 +/- 1.72   6.778% *  0.1822% (0.45   0.02   0.02) =   0.019%
          QG2   VAL   18 - HN    VAL   41  10.68 +/- 2.24   2.607% *  0.3105% (0.76   0.02   0.02) =   0.012%
          QD2   LEU  104 - HN    VAL   41   8.41 +/- 4.84   8.736% *  0.0804% (0.20   0.02   0.02) =   0.011%
          HG    LEU   31 - HN    VAL   41   9.01 +/- 1.98   2.342% *  0.2464% (0.61   0.02   0.02) =   0.009%
          QD1   ILE   19 - HN    VAL   41   9.66 +/- 2.46   2.529% *  0.1254% (0.31   0.02   0.02) =   0.005%
          QG2   THR   46 - HN    VAL   41  13.05 +/- 1.77   0.728% *  0.2628% (0.65   0.02   0.02) =   0.003%
          QD1   ILE   56 - HN    VAL   41  15.14 +/- 2.84   0.672% *  0.0905% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1031 (0.56, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.711, support = 4.13, residual support = 72.5:
          QG2   VAL   41 - HN    VAL   41   3.12 +/- 0.79  53.877% * 80.6559% (0.73   4.35  76.54) =  92.979%  kept
          QD2   LEU   98 - HN    VAL   41   7.42 +/- 4.97  17.893% * 17.9478% (0.53   1.34  20.04) =   6.871%  kept
          QD1   LEU   73 - HN    VAL   41   8.54 +/- 2.30  13.701% *  0.2291% (0.45   0.02   0.02) =   0.067%
          QD2   LEU   63 - HN    VAL   41   9.60 +/- 2.02   3.740% *  0.5009% (0.98   0.02   0.02) =   0.040%
          QD1   LEU   63 - HN    VAL   41   9.61 +/- 2.20   5.213% *  0.2291% (0.45   0.02   0.02) =   0.026%
          QD1   LEU   80 - HN    VAL   41  15.19 +/- 4.92   1.846% *  0.2689% (0.53   0.02   0.02) =   0.011%
          QD2   LEU  115 - HN    VAL   41  14.20 +/- 2.83   1.926% *  0.0895% (0.18   0.02   0.02) =   0.004%
          QD2   LEU   80 - HN    VAL   41  14.63 +/- 4.63   1.804% *  0.0788% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1032 (0.21, 9.02, 128.16 ppm):
    2 chemical-shift based assignments, quality = 0.176, support = 2.62, residual support = 2.61:
          QG2   VAL   70 - HN    VAL   41   4.71 +/- 1.51  79.389% * 98.3971% (0.18   2.63   2.62) =  99.579%  kept
          QG2   THR  118 - HN    VAL   41  12.21 +/- 3.91  20.611% *  1.6029% (0.38   0.02   0.02) =   0.421%  kept
    Distance limit 4.97 A violated in 1 structures by 0.40 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1033 (4.04, 8.88, 128.13 ppm):
    4 chemical-shift based assignments, quality = 0.721, support = 1.27, residual support = 12.0:
          HB2   SER   37 - HN    LEU   40   6.28 +/- 0.69  33.665% * 50.9417% (0.92   1.18   0.71) =  52.592%  kept
          HA    VAL   70 - HN    LEU   40   5.80 +/- 1.83  46.775% * 22.7009% (0.28   1.75  35.70) =  32.563%  kept
          HA1   GLY   16 - HN    LEU   40  11.70 +/- 5.19  18.538% * 26.0974% (0.98   0.57   0.02) =  14.836%  kept
          HA    GLN  116 - HN    LEU   40  20.14 +/- 3.37   1.022% *  0.2600% (0.28   0.02   0.02) =   0.008%
    Distance limit 4.68 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1034 (3.84, 8.88, 128.13 ppm):
    8 chemical-shift based assignments, quality = 0.405, support = 4.08, residual support = 23.6:
          HB    THR   39 - HN    LEU   40   3.91 +/- 0.55  70.237% * 83.6792% (0.41   4.23  24.68) =  95.591%  kept
          HB3   SER   37 - HN    LEU   40   7.08 +/- 1.11  21.233% * 12.4869% (0.28   0.93   0.71) =   4.312%  kept
          HA    GLN   30 - HN    LEU   40  11.96 +/- 2.15   3.834% *  0.9106% (0.95   0.02   0.02) =   0.057%
          HB3   SER   82 - HN    LEU   40  22.95 +/- 5.54   1.059% *  0.7356% (0.76   0.02   0.02) =   0.013%
          QB    SER   13 - HN    LEU   40  16.64 +/- 4.38   1.782% *  0.4316% (0.45   0.02   0.02) =   0.013%
          HD3   PRO   52 - HN    LEU   40  25.80 +/- 3.20   0.349% *  0.9435% (0.98   0.02   0.02) =   0.005%
          HB2   CYS   53 - HN    LEU   40  21.93 +/- 3.22   0.595% *  0.5450% (0.57   0.02   0.02) =   0.005%
          HA    ILE   89 - HN    LEU   40  20.11 +/- 2.87   0.910% *  0.2676% (0.28   0.02   0.02) =   0.004%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1035 (2.99, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.452, support = 0.881, residual support = 4.77:
          QE    LYS+  99 - HN    LEU   40   9.64 +/- 8.36  42.003% * 47.6148% (0.57   0.67   8.09) =  54.344%  kept
          QE    LYS+  38 - HN    LEU   40   6.66 +/- 1.87  36.908% * 44.7357% (0.31   1.15   0.83) =  44.865%  kept
          HB2   PHE   97 - HN    LEU   40  13.36 +/- 5.07   4.344% *  2.4276% (0.97   0.02   0.72) =   0.287%  kept
          HB3   TRP   27 - HN    LEU   40  13.48 +/- 2.45   4.115% *  2.4656% (0.98   0.02   0.02) =   0.276%  kept
          QE    LYS+ 102 - HN    LEU   40  16.17 +/- 6.35   7.832% *  0.3881% (0.15   0.02   0.02) =   0.083%
          HB3   PHE   60 - HN    LEU   40  15.16 +/- 3.03   3.022% *  0.9441% (0.38   0.02   0.02) =   0.078%
          QE    LYS+ 106 - HN    LEU   40  16.15 +/- 3.45   1.776% *  1.4241% (0.57   0.02   0.02) =   0.069%
    Distance limit 4.86 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1036 (1.93, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.0, residual support = 106.4:
      O   HB2   LEU   40 - HN    LEU   40   2.48 +/- 0.46  95.737% * 99.7221% (0.97  10.0   5.00 106.44) =  99.998%  kept
          HB3   MET   96 - HN    LEU   40  14.90 +/- 3.19   0.830% *  0.0954% (0.92   1.0   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    LEU   40  12.34 +/- 3.44   2.372% *  0.0230% (0.22   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HN    LEU   40  16.93 +/- 4.84   0.606% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   40  23.92 +/- 5.44   0.289% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   40  23.72 +/- 4.43   0.166% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1037 (1.46, 8.88, 128.13 ppm):
    10 chemical-shift based assignments, quality = 0.651, support = 4.99, residual support = 106.4:
      O   HB3   LEU   40 - HN    LEU   40   2.79 +/- 0.45  65.307% * 68.8323% (0.61  10.0   4.85 106.44) =  85.907%  kept
          HG    LEU   40 - HN    LEU   40   4.24 +/- 0.40  24.080% * 30.5980% (0.92   1.0   5.84 106.44) =  14.081%  kept
          HG    LEU   73 - HN    LEU   40  11.35 +/- 2.58   4.563% *  0.0509% (0.45   1.0   0.02   0.02) =   0.004%
          HG    LEU   67 - HN    LEU   40  10.81 +/- 1.78   1.398% *  0.1112% (0.98   1.0   0.02   0.02) =   0.003%
          HG2   LYS+ 102 - HN    LEU   40  16.89 +/- 7.45   0.899% *  0.0643% (0.57   1.0   0.02   0.02) =   0.001%
          QB    ALA  120 - HN    LEU   40  17.69 +/- 4.19   0.509% *  0.0948% (0.84   1.0   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    LEU   40  19.82 +/- 3.07   0.445% *  0.1048% (0.92   1.0   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LEU   40  19.57 +/- 3.07   0.337% *  0.0948% (0.84   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LEU   40  10.08 +/- 1.63   1.810% *  0.0175% (0.15   1.0   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    LEU   40  13.71 +/- 1.87   0.652% *  0.0316% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1038 (1.28, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.498, support = 3.18, residual support = 15.1:
          QG2   THR   39 - HN    LEU   40   3.21 +/- 0.75  63.016% * 30.4386% (0.28   4.14  24.68) =  60.090%  kept
          QB    ALA   34 - HN    LEU   40   5.45 +/- 1.17  26.958% * 38.7749% (0.90   1.64   0.53) =  32.746%  kept
          HG3   LYS+  38 - HN    LEU   40   7.58 +/- 0.94   7.699% * 29.6140% (0.53   2.13   0.83) =   7.143%  kept
          QG2   THR   23 - HN    LEU   40  16.73 +/- 2.34   0.615% *  0.5240% (0.99   0.02   0.02) =   0.010%
          QG2   ILE   56 - HN    LEU   40  17.36 +/- 2.64   0.560% *  0.3839% (0.73   0.02   0.02) =   0.007%
          QG2   THR   77 - HN    LEU   40  15.65 +/- 2.56   0.682% *  0.1177% (0.22   0.02   0.02) =   0.003%
          QB    ALA   91 - HN    LEU   40  19.12 +/- 1.98   0.470% *  0.1470% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1039 (0.85, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.903, support = 1.15, residual support = 19.2:
          QG1   VAL   70 - HN    LEU   40   6.36 +/- 1.61  33.733% * 54.4417% (0.84   1.37  35.70) =  51.859%  kept
          QD1   LEU   71 - HN    LEU   40   6.22 +/- 2.43  39.370% * 42.8289% (0.98   0.92   1.45) =  47.614%  kept
          QG1   VAL   18 - HN    LEU   40  10.29 +/- 2.61  10.739% *  0.6884% (0.73   0.02   0.02) =   0.209%  kept
          HB3   LEU  104 - HN    LEU   40  14.02 +/- 6.51   7.599% *  0.8752% (0.92   0.02   0.02) =   0.188%  kept
          QD1   LEU  123 - HN    LEU   40  16.36 +/- 4.44   3.748% *  0.9293% (0.98   0.02   0.02) =   0.098%
          HB3   LEU   63 - HN    LEU   40  12.26 +/- 1.78   4.811% *  0.2364% (0.25   0.02   0.02) =   0.032%
    Distance limit 4.20 A violated in 5 structures by 0.77 A, kept.
 
    Peak 1040 (0.97, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.586, support = 4.54, residual support = 92.2:
          QD2   LEU   40 - HN    LEU   40   3.98 +/- 0.61  58.277% * 67.3554% (0.53   5.06 106.44) =  86.418%  kept
          QD2   LEU   71 - HN    LEU   40   7.18 +/- 2.20  19.823% * 30.7522% (0.98   1.24   1.45) =  13.421%  kept
          QD1   LEU   67 - HN    LEU   40   8.18 +/- 1.69  12.754% *  0.2864% (0.57   0.02   0.02) =   0.080%
          QD1   ILE  103 - HN    LEU   40  13.25 +/- 4.47   3.130% *  0.4670% (0.92   0.02   0.02) =   0.032%
          QG2   ILE  103 - HN    LEU   40  12.89 +/- 4.22   3.122% *  0.3475% (0.69   0.02   0.02) =   0.024%
          QG2   ILE  119 - HN    LEU   40  16.05 +/- 3.54   1.848% *  0.3866% (0.76   0.02   0.02) =   0.016%
          HG3   LYS+  74 - HN    LEU   40  15.74 +/- 3.03   1.046% *  0.4050% (0.80   0.02   0.02) =   0.009%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1041 (0.20, 8.88, 128.13 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.02, residual support = 35.7:
          QG2   VAL   70 - HN    LEU   40   4.87 +/- 1.29 100.000% *100.0000% (0.57   6.02  35.70) = 100.000%  kept
    Distance limit 4.52 A violated in 5 structures by 0.65 A, kept.
 
    Peak 1042 (4.11, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.54, support = 1.88, residual support = 2.99:
          HA    GLU-  36 - HN    THR   39   6.62 +/- 0.33  22.223% * 75.8880% (0.80   1.90   1.06) =  54.675%  kept
          HA    ALA   34 - HN    THR   39   3.90 +/- 1.19  67.355% * 20.6498% (0.22   1.86   5.35) =  45.092%  kept
          HA    LYS+  81 - HN    THR   39  22.98 +/- 5.81   5.254% *  0.8935% (0.90   0.02   0.02) =   0.152%  kept
          HA    ASN   28 - HN    THR   39  12.69 +/- 1.23   3.078% *  0.3739% (0.38   0.02   0.02) =   0.037%
          HA    ALA  124 - HN    THR   39  24.96 +/- 6.89   0.547% *  0.9615% (0.97   0.02   0.02) =   0.017%
          HA    ARG+  54 - HN    THR   39  25.56 +/- 4.31   0.529% *  0.8935% (0.90   0.02   0.02) =   0.015%
          HA    LEU  115 - HN    THR   39  22.47 +/- 3.00   1.015% *  0.3398% (0.34   0.02   0.02) =   0.011%
    Distance limit 4.41 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1043 (4.42, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.826, support = 3.17, residual support = 9.92:
          HA    SER   37 - HN    THR   39   4.23 +/- 0.30  54.736% * 55.8699% (0.90   3.13   4.22) =  71.985%  kept
          HA    LEU   40 - HN    THR   39   5.31 +/- 0.35  28.028% * 42.2765% (0.65   3.28  24.68) =  27.892%  kept
          HA    GLU-  15 - HN    THR   39  12.01 +/- 4.44   6.505% *  0.3326% (0.84   0.02   0.02) =   0.051%
          HA    GLN   17 - HN    THR   39  12.93 +/- 3.91   4.254% *  0.3571% (0.90   0.02   0.02) =   0.036%
          HA    SER   13 - HN    THR   39  16.97 +/- 5.19   2.232% *  0.3326% (0.84   0.02   0.02) =   0.017%
          HA    VAL   42 - HN    THR   39  11.00 +/- 0.51   3.215% *  0.1358% (0.34   0.02   0.02) =   0.010%
          HA    PRO   58 - HN    THR   39  21.25 +/- 2.81   0.589% *  0.3188% (0.80   0.02   0.02) =   0.004%
          HA    THR   46 - HN    THR   39  21.83 +/- 1.98   0.442% *  0.3767% (0.95   0.02   0.02) =   0.004%
    Distance limit 4.32 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1044 (3.84, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.404, support = 3.63, residual support = 35.1:
      O   HB    THR   39 - HN    THR   39   2.89 +/- 0.53  57.024% * 91.3988% (0.41  10.0   3.69  36.84) =  94.763%  kept
          HB3   SER   37 - HN    THR   39   3.57 +/- 0.77  37.206% *  7.7157% (0.28   1.0   2.50   4.22) =   5.220%  kept
          HA    GLN   30 - HN    THR   39   9.75 +/- 2.13   3.254% *  0.2103% (0.95   1.0   0.02   0.02) =   0.012%
          QB    SER   13 - HN    THR   39  14.99 +/- 4.48   1.858% *  0.0997% (0.45   1.0   0.02   0.02) =   0.003%
          HB3   SER   82 - HN    THR   39  23.55 +/- 6.16   0.267% *  0.1699% (0.76   1.0   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    THR   39  28.70 +/- 2.99   0.069% *  0.2179% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    THR   39  24.83 +/- 3.21   0.109% *  0.1259% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    THR   39  22.11 +/- 3.36   0.212% *  0.0618% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1045 (1.27, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.71, support = 3.77, residual support = 23.8:
          QG2   THR   39 - HN    THR   39   2.92 +/- 0.55  55.455% * 19.9767% (0.49   3.60  36.84) =  45.810%  kept
          QB    ALA   34 - HN    THR   39   3.79 +/- 0.77  31.344% * 24.0896% (1.00   2.12   5.35) =  31.223%  kept
          HG3   LYS+  38 - HN    THR   39   5.38 +/- 0.67  10.026% * 55.3691% (0.76   6.35  22.99) =  22.956%  kept
          HG13  ILE   19 - HN    THR   39  11.00 +/- 3.77   2.286% *  0.0451% (0.20   0.02   0.02) =   0.004%
          QG2   THR   23 - HN    THR   39  16.29 +/- 1.96   0.386% *  0.1979% (0.87   0.02   0.02) =   0.003%
          QG2   ILE   56 - HN    THR   39  19.99 +/- 2.90   0.294% *  0.2106% (0.92   0.02   0.02) =   0.003%
          QB    ALA   91 - HN    THR   39  21.16 +/- 2.38   0.210% *  0.1110% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1046 (3.79, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 6.63, residual support = 219.8:
      O   HA    LYS+  38 - HN    LYS+  38   2.22 +/- 0.01  94.448% * 99.7734% (0.80  10.0   6.63 219.76) =  99.996%  kept
          HA    GLU- 100 - HN    LYS+  38  12.42 +/- 8.58   4.533% *  0.0705% (0.57   1.0   0.02   0.02) =   0.003%
          HA    VAL   83 - HN    LYS+  38  22.29 +/- 6.41   0.702% *  0.0656% (0.53   1.0   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    LYS+  38  16.80 +/- 1.53   0.242% *  0.0346% (0.28   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    LYS+  38  25.63 +/- 3.12   0.075% *  0.0559% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (2.18, 7.88, 117.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.95, residual support = 219.8:
      O   HB2   LYS+  38 - HN    LYS+  38   3.09 +/- 0.20  89.518% * 99.7624% (1.00  10.0   5.95 219.76) =  99.996%  kept
          QG    GLN   17 - HN    LYS+  38  13.34 +/- 3.95   5.680% *  0.0249% (0.25   1.0   0.02   0.02) =   0.002%
          HG3   GLU-  29 - HN    LYS+  38  14.88 +/- 1.01   0.910% *  0.0724% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    LYS+  38  12.70 +/- 1.24   1.557% *  0.0340% (0.34   1.0   0.02   0.02) =   0.001%
          HB    VAL   70 - HN    LYS+  38  12.69 +/- 1.76   1.605% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  38  26.88 +/- 4.69   0.299% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LYS+  38  18.93 +/- 1.14   0.431% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1048 (1.89, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 5.19, residual support = 219.7:
      O   HB3   LYS+  38 - HN    LYS+  38   3.96 +/- 0.10  72.855% * 99.4497% (0.90  10.0   5.20 219.76) =  99.983%  kept
          HB3   GLN   30 - HN    LYS+  38  10.75 +/- 1.42   5.768% *  0.1099% (0.99   1.0   0.02   0.02) =   0.009%
          QB    LYS+  33 - HN    LYS+  38   6.79 +/- 0.44  15.433% *  0.0219% (0.20   1.0   0.02   0.02) =   0.005%
          QB    LYS+  81 - HN    LYS+  38  23.13 +/- 5.98   2.625% *  0.0342% (0.31   1.0   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    LYS+  38  24.82 +/- 3.21   0.393% *  0.0994% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    LYS+  38  27.01 +/- 3.54   0.309% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  38  19.34 +/- 3.19   0.767% *  0.0378% (0.34   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  38  25.93 +/- 3.56   0.321% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LYS+  38  20.93 +/- 5.15   0.867% *  0.0247% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  38  26.58 +/- 4.81   0.662% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1049 (1.31, 7.88, 117.58 ppm):
    7 chemical-shift based assignments, quality = 0.646, support = 5.84, residual support = 219.6:
          HG2   LYS+  38 - HN    LYS+  38   3.33 +/- 0.35  80.535% * 98.4014% (0.65   5.85 219.76) =  99.917%  kept
          QG2   THR   77 - HN    LYS+  38  18.17 +/- 4.66   7.955% *  0.4921% (0.95   0.02   0.02) =   0.049%
          HG2   LYS+  99 - HN    LYS+  38  13.42 +/- 8.05   4.187% *  0.2737% (0.53   0.02   0.02) =   0.014%
          QB    ALA   88 - HN    LYS+  38  20.81 +/- 3.88   1.907% *  0.4921% (0.95   0.02   0.02) =   0.012%
          HB2   LEU   31 - HN    LYS+  38   9.61 +/- 1.25   4.508% *  0.1158% (0.22   0.02   0.02) =   0.007%
          QG2   THR   23 - HN    LYS+  38  16.78 +/- 1.55   0.773% *  0.0803% (0.15   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    LYS+  38  29.85 +/- 2.79   0.134% *  0.1446% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1051 (3.87, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.77, residual support = 29.4:
      O   HB3   SER   37 - HN    SER   37   2.95 +/- 0.58  74.504% * 93.7807% (0.99  10.0   3.80  29.69) =  98.707%  kept
          HB    THR   39 - HN    SER   37   5.76 +/- 0.74  15.545% *  5.8494% (0.99   1.0   1.25   4.22) =   1.285%  kept
          QB    SER   13 - HN    SER   37  13.94 +/- 4.36   3.774% *  0.0927% (0.98   1.0   0.02   0.02) =   0.005%
          HA    GLN   30 - HN    SER   37   8.86 +/- 1.49   4.378% *  0.0187% (0.20   1.0   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    SER   37  24.05 +/- 4.05   0.845% *  0.0938% (0.99   1.0   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    SER   37  24.61 +/- 6.52   0.565% *  0.0723% (0.76   1.0   0.02   0.02) =   0.001%
          HB    THR  118 - HN    SER   37  23.70 +/- 3.52   0.260% *  0.0687% (0.73   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   37  30.90 +/- 3.49   0.128% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1052 (2.15, 7.91, 112.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.71, residual support = 19.0:
          QB    GLU-  36 - HN    SER   37   3.21 +/- 0.38  89.253% * 98.3019% (1.00   3.71  18.97) =  99.963%  kept
          HB3   GLU-  79 - HN    SER   37  22.03 +/- 4.92   2.199% *  0.5248% (0.99   0.02   0.02) =   0.013%
          HB3   GLU-  29 - HN    SER   37  11.85 +/- 1.59   2.422% *  0.4593% (0.87   0.02   0.02) =   0.013%
          HG3   GLU- 100 - HN    SER   37  13.90 +/- 8.21   4.063% *  0.0927% (0.18   0.02   0.02) =   0.004%
          HG3   GLU-  29 - HN    SER   37  14.15 +/- 1.25   1.290% *  0.2577% (0.49   0.02   0.02) =   0.004%
          HB2   GLN   90 - HN    SER   37  27.31 +/- 4.94   0.774% *  0.3637% (0.69   0.02   0.02) =   0.003%
    Distance limit 3.67 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1053 (1.30, 7.91, 112.05 ppm):
    5 chemical-shift based assignments, quality = 0.377, support = 4.86, residual support = 20.5:
          HG2   LYS+  38 - HN    SER   37   4.96 +/- 0.32  69.711% * 97.5111% (0.38   4.88  20.59) =  99.644%  kept
          QG2   THR   77 - HN    SER   37  18.17 +/- 5.03  18.329% *  1.0558% (0.99   0.02   0.02) =   0.284%  kept
          HG2   LYS+  99 - HN    SER   37  14.20 +/- 7.45   7.157% *  0.2962% (0.28   0.02   0.02) =   0.031%
          QB    ALA   88 - HN    SER   37  21.30 +/- 3.73   2.641% *  0.7735% (0.73   0.02   0.02) =   0.030%
          QG2   THR   23 - HN    SER   37  16.28 +/- 1.54   2.162% *  0.3634% (0.34   0.02   0.02) =   0.012%
    Distance limit 4.65 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1054 (2.93, 7.76, 119.36 ppm):
    6 chemical-shift based assignments, quality = 0.653, support = 5.88, residual support = 50.1:
          HB2   ASN   35 - HN    GLU-  36   3.57 +/- 0.50  68.675% * 91.6933% (0.65   6.04  51.53) =  97.133%  kept
          QE    LYS+  33 - HN    GLU-  36   5.82 +/- 1.27  27.146% *  6.7905% (0.87   0.33   0.02) =   2.843%  kept
          HB2   ASN   28 - HN    GLU-  36  12.98 +/- 0.70   1.610% *  0.4439% (0.95   0.02   0.02) =   0.011%
          HB2   ASP-  86 - HN    GLU-  36  21.98 +/- 5.93   0.961% *  0.4439% (0.95   0.02   0.02) =   0.007%
          QE    LYS+  65 - HN    GLU-  36  20.32 +/- 2.53   0.509% *  0.4683% (1.00   0.02   0.02) =   0.004%
          HB2   ASP-  78 - HN    GLU-  36  25.07 +/- 5.02   1.098% *  0.1601% (0.34   0.02   0.02) =   0.003%
    Distance limit 3.73 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1055 (2.47, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.82, residual support = 86.2:
          HG2   GLU-  36 - HN    GLU-  36   3.49 +/- 0.45  98.317% * 99.4307% (0.97   4.82  86.24) =  99.996%  kept
          HG3   MET   96 - HN    GLU-  36  19.66 +/- 3.78   0.973% *  0.3427% (0.80   0.02   0.02) =   0.003%
          HB3   ASP-  62 - HN    GLU-  36  22.94 +/- 2.29   0.460% *  0.1606% (0.38   0.02   0.02) =   0.001%
          HG3   GLN  116 - HN    GLU-  36  28.80 +/- 3.65   0.250% *  0.0660% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1056 (2.14, 7.76, 119.36 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 7.3, residual support = 86.2:
      O   QB    GLU-  36 - HN    GLU-  36   2.13 +/- 0.14  96.719% * 99.6951% (0.90  10.0   7.30  86.24) =  99.998%  kept
          HB3   GLU-  29 - HN    GLU-  36  10.30 +/- 1.35   1.032% *  0.0674% (0.61   1.0   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HN    GLU-  36  14.36 +/- 7.69   1.004% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  36  22.13 +/- 4.71   0.241% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  36  27.46 +/- 5.33   0.315% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  36  12.60 +/- 1.14   0.518% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU-  36  17.95 +/- 0.85   0.171% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (2.29, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.646, support = 4.81, residual support = 86.1:
          HG3   GLU-  36 - HN    GLU-  36   3.88 +/- 0.61  68.130% * 97.3029% (0.65   4.82  86.24) =  99.889%  kept
          QG    GLU-  15 - HN    GLU-  36  10.53 +/- 3.16  11.934% *  0.2801% (0.45   0.02   0.02) =   0.050%
          QG    GLN   90 - HN    GLU-  36  23.87 +/- 5.21   7.958% *  0.1236% (0.20   0.02   0.02) =   0.015%
          QB    MET   11 - HN    GLU-  36  17.08 +/- 4.48   1.692% *  0.5603% (0.90   0.02   0.02) =   0.014%
          QG    GLU-  14 - HN    GLU-  36  14.12 +/- 3.87   3.289% *  0.1928% (0.31   0.02   0.02) =   0.010%
          HB3   PHE   72 - HN    GLU-  36  12.65 +/- 2.53   3.722% *  0.1558% (0.25   0.02   0.02) =   0.009%
          HB2   GLU-  79 - HN    GLU-  36  22.19 +/- 4.74   1.204% *  0.3041% (0.49   0.02   0.02) =   0.006%
          HB2   ASP-  44 - HN    GLU-  36  18.52 +/- 2.01   1.048% *  0.2131% (0.34   0.02   0.02) =   0.003%
          HG2   MET   92 - HN    GLU-  36  28.22 +/- 4.37   0.417% *  0.4041% (0.65   0.02   0.02) =   0.003%
          QG    GLU- 114 - HN    GLU-  36  25.11 +/- 2.41   0.332% *  0.3537% (0.57   0.02   0.02) =   0.002%
          HG2   PRO   52 - HN    GLU-  36  30.47 +/- 3.84   0.274% *  0.1094% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1058 (3.55, 6.53, 110.12 ppm):
    3 chemical-shift based assignments, quality = 0.477, support = 0.02, residual support = 0.02:
          HB2   TRP   27 - HD22  ASN   35  14.97 +/- 1.61  38.580% * 42.5614% (0.57   0.02   0.02) =  55.836%  kept
          HA2   GLY  101 - HD22  ASN   35  14.66 +/- 9.12  47.513% * 14.8773% (0.20   0.02   0.02) =  24.037%  kept
          HD2   PRO   93 - HD22  ASN   35  27.69 +/- 4.71  13.907% * 42.5614% (0.57   0.02   0.02) =  20.127%  kept
    Distance limit 4.95 A violated in 17 structures by 5.73 A, eliminated.
    Peak unassigned.
 
    Peak 1059 (2.94, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 3.57, residual support = 54.6:
      O   HB2   ASN   35 - HD22  ASN   35   3.76 +/- 0.36  84.723% * 98.1535% (0.76  10.0   3.58  54.66) =  99.843%  kept
          QE    LYS+  33 - HD22  ASN   35   9.51 +/- 1.44   8.492% *  1.4519% (0.76   1.0   0.30   5.09) =   0.148%  kept
          HB2   ASN   28 - HD22  ASN   35  12.73 +/- 1.98   3.053% *  0.1114% (0.87   1.0   0.02   0.02) =   0.004%
          HB2   ASP-  86 - HD22  ASN   35  21.35 +/- 7.42   2.587% *  0.1273% (0.99   1.0   0.02   0.02) =   0.004%
          QE    LYS+  65 - HD22  ASN   35  22.41 +/- 3.58   0.650% *  0.1239% (0.96   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD22  ASN   35  26.16 +/- 4.49   0.495% *  0.0320% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1060 (3.99, 7.37, 110.13 ppm):
    10 chemical-shift based assignments, quality = 0.742, support = 1.54, residual support = 3.78:
          HA    GLN   32 - HD21  ASN   35   4.19 +/- 1.67  53.729% * 35.3168% (0.76   1.35   3.40) =  60.688%  kept
          HA    LYS+  33 - HD21  ASN   35   5.97 +/- 1.17  21.614% * 48.7060% (0.69   2.08   5.09) =  33.669%  kept
          HA    VAL   18 - HD21  ASN   35  15.34 +/- 4.50  13.521% * 12.6733% (0.87   0.43   0.02) =   5.480%  kept
          HA    GLU-  29 - HD21  ASN   35   9.20 +/- 1.62   4.650% *  0.5701% (0.83   0.02   0.02) =   0.085%
          HA    VAL   70 - HD21  ASN   35  14.83 +/- 2.88   3.814% *  0.2561% (0.38   0.02   0.02) =   0.031%
          HA    ALA   88 - HD21  ASN   35  24.78 +/- 6.36   1.614% *  0.5465% (0.80   0.02   0.02) =   0.028%
          HB2   SER   82 - HD21  ASN   35  24.26 +/- 7.75   0.473% *  0.6300% (0.92   0.02   0.02) =   0.010%
          HA    SER   48 - HD21  ASN   35  27.53 +/- 5.15   0.263% *  0.6586% (0.96   0.02   0.02) =   0.006%
          HD2   PRO   52 - HD21  ASN   35  30.81 +/- 4.71   0.142% *  0.3864% (0.57   0.02   0.02) =   0.002%
          HA    GLN  116 - HD21  ASN   35  27.84 +/- 3.12   0.179% *  0.2561% (0.38   0.02   0.02) =   0.001%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1061 (2.93, 7.37, 110.13 ppm):
    6 chemical-shift based assignments, quality = 0.609, support = 3.56, residual support = 54.2:
      O   HB2   ASN   35 - HD21  ASN   35   2.97 +/- 0.42  88.013% * 90.5364% (0.61  10.0   3.58  54.66) =  99.064%  kept
          QE    LYS+  33 - HD21  ASN   35   8.47 +/- 1.52   8.329% *  8.9765% (0.90   1.0   1.34   5.09) =   0.929%  kept
          HB2   ASN   28 - HD21  ASN   35  12.05 +/- 1.66   1.813% *  0.1441% (0.96   1.0   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HD21  ASN   35  21.23 +/- 7.07   1.125% *  0.1378% (0.92   1.0   0.02   0.02) =   0.002%
          QE    LYS+  65 - HD21  ASN   35  21.97 +/- 3.64   0.410% *  0.1493% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD21  ASN   35  25.68 +/- 4.55   0.311% *  0.0560% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1062 (4.00, 8.06, 119.69 ppm):
    10 chemical-shift based assignments, quality = 0.66, support = 4.18, residual support = 41.8:
      O   HA    GLN   32 - HN    GLN   32   2.76 +/- 0.07  57.622% * 73.9508% (0.65  10.0   4.25  44.09) =  93.339%  kept
          HA    LYS+  33 - HN    GLN   32   5.22 +/- 0.13   8.670% * 21.6898% (0.80   1.0   4.74  15.25) =   4.119%  kept
          HA    GLU-  29 - HN    GLN   32   3.48 +/- 0.34  30.502% *  3.7956% (0.92   1.0   0.72   0.02) =   2.536%  kept
          HA    VAL   18 - HN    GLN   32  12.71 +/- 2.61   1.172% *  0.1081% (0.95   1.0   0.02   0.02) =   0.003%
          HA    SER   48 - HN    GLN   32  24.01 +/- 4.89   0.586% *  0.1025% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    GLN   32  20.57 +/- 6.81   0.325% *  0.1121% (0.98   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    GLN   32  14.42 +/- 1.83   0.479% *  0.0556% (0.49   1.0   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    GLN   32  22.03 +/- 4.32   0.226% *  0.0785% (0.69   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   32  27.69 +/- 4.84   0.322% *  0.0513% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   32  25.73 +/- 3.27   0.097% *  0.0556% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1063 (4.01, 7.95, 120.58 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 6.15, residual support = 153.1:
      O   HA    LYS+  33 - HN    LYS+  33   2.87 +/- 0.02  70.568% * 98.5131% (0.87  10.0   6.17 153.50) =  99.726%  kept
          HA    GLU-  29 - HN    LYS+  33   4.92 +/- 0.89  18.354% *  1.0068% (0.73   1.0   0.24   0.02) =   0.265%  kept
          HA    VAL   18 - HN    LYS+  33  11.68 +/- 2.76   2.709% *  0.0780% (0.69   1.0   0.02   0.02) =   0.003%
          HB2   SER   37 - HN    LYS+  33   8.31 +/- 1.19   3.691% *  0.0553% (0.49   1.0   0.02   0.02) =   0.003%
          HA    VAL   70 - HN    LYS+  33  13.49 +/- 2.24   1.010% *  0.1136% (1.00   1.0   0.02   0.02) =   0.002%
          HA1   GLY   16 - HN    LYS+  33  12.87 +/- 3.65   2.715% *  0.0225% (0.20   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    LYS+  33  21.64 +/- 6.29   0.304% *  0.0689% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  33  24.65 +/- 4.75   0.534% *  0.0283% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  33  26.02 +/- 2.98   0.115% *  0.1136% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1064 (4.16, 8.29, 121.00 ppm):
    9 chemical-shift based assignments, quality = 0.36, support = 3.92, residual support = 23.8:
      O   HA    ASN   28 - HN    GLU-  29   3.65 +/- 0.01  32.581% * 73.8828% (0.18  10.0   5.05  32.53) =  72.399%  kept
          HA    THR   26 - HN    GLU-  29   3.18 +/- 0.15  48.849% * 16.1868% (0.95   1.0   0.81   0.85) =  23.781%  kept
          HA    GLU-  25 - HN    GLU-  29   4.86 +/- 0.31  14.389% *  8.7753% (0.22   1.0   1.87   0.02) =   3.798%  kept
          HA    ILE   19 - HN    GLU-  29  11.55 +/- 1.28   1.278% *  0.1734% (0.41   1.0   0.02   0.02) =   0.007%
          HA    ALA   34 - HN    GLU-  29  10.43 +/- 0.94   1.568% *  0.1302% (0.31   1.0   0.02   0.02) =   0.006%
          HA    CYS   53 - HN    GLU-  29  25.18 +/- 4.36   0.479% *  0.2898% (0.69   1.0   0.02   0.02) =   0.004%
          HA1   GLY  101 - HN    GLU-  29  16.88 +/- 5.09   0.636% *  0.2053% (0.49   1.0   0.02   0.02) =   0.004%
          HA    GLU- 114 - HN    GLU-  29  28.13 +/- 3.63   0.092% *  0.2729% (0.65   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    GLU-  29  24.90 +/- 3.06   0.127% *  0.0835% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1065 (2.93, 6.97, 111.81 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.91, residual support = 94.6:
      O   HB2   ASN   28 - HD22  ASN   28   3.24 +/- 0.22  82.849% * 99.6000% (0.95  10.0   3.91  94.63) =  99.980%  kept
          QE    LYS+  65 - HD22  ASN   28  17.40 +/- 4.52   8.981% *  0.1051% (1.00   1.0   0.02   0.02) =   0.011%
          HB2   ASP-  86 - HD22  ASN   28  14.15 +/- 6.56   3.159% *  0.0996% (0.95   1.0   0.02   0.02) =   0.004%
          QE    LYS+  33 - HD22  ASN   28  10.86 +/- 0.86   2.329% *  0.0913% (0.87   1.0   0.02   0.02) =   0.003%
          HB2   ASN   35 - HD22  ASN   28  12.94 +/- 1.74   1.963% *  0.0681% (0.65   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HD22  ASN   28  17.55 +/- 3.35   0.719% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1066 (2.72, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.05, residual support = 158.9:
      O   HG2   GLN   30 - HE21  GLN   30   3.93 +/- 0.25  91.858% * 96.1345% (0.61  10.0   4.06 159.23) =  99.743%  kept
          HB3   ASN   28 - HE21  GLN   30  10.22 +/- 1.02   5.920% *  3.8378% (0.84   1.0   0.58  19.46) =   0.257%  kept
          QE    LYS+ 121 - HE21  GLN   30  18.31 +/- 5.10   2.223% *  0.0278% (0.18   1.0   0.02   0.02) =   0.001%
    Distance limit 4.06 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1067 (2.72, 6.64, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.16, residual support = 159.0:
      O   HG2   GLN   30 - HE22  GLN   30   3.12 +/- 0.51  94.710% * 96.1345% (0.61  10.0   4.17 159.23) =  99.816%  kept
          HB3   ASN   28 - HE22  GLN   30   9.10 +/- 0.96   4.366% *  3.8378% (0.84   1.0   0.58  19.46) =   0.184%  kept
          QE    LYS+ 121 - HE22  GLN   30  18.32 +/- 4.96   0.924% *  0.0278% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1068 (2.73, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.55, residual support = 94.6:
      O   HB3   ASN   28 - HD22  ASN   28   3.36 +/- 0.13  88.546% * 99.7665% (0.90  10.0   3.55  94.63) =  99.987%  kept
          HG2   GLN   30 - HD22  ASN   28   7.41 +/- 0.74   9.259% *  0.1110% (1.00   1.0   0.02  19.46) =   0.012%
          QE    LYS+ 121 - HD22  ASN   28  20.58 +/- 5.58   1.251% *  0.0808% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   HIS  122 - HD22  ASN   28  22.23 +/- 5.31   0.944% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1069 (1.07, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 1.36, residual support = 14.8:
          QG2   VAL   24 - HD22  ASN   28   3.07 +/- 0.26  95.550% * 97.4940% (0.97   1.36  14.83) =  99.946%  kept
          HG    LEU   63 - HD22  ASN   28  17.79 +/- 4.31   3.473% *  1.2855% (0.87   0.02   0.02) =   0.048%
          QG1   VAL  107 - HD22  ASN   28  17.12 +/- 2.08   0.710% *  0.5562% (0.38   0.02   0.02) =   0.004%
          HG3   LYS+ 112 - HD22  ASN   28  25.64 +/- 4.25   0.267% *  0.6644% (0.45   0.02   0.02) =   0.002%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1070 (4.01, 8.29, 121.00 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 6.15, residual support = 92.6:
      O   HA    GLU-  29 - HN    GLU-  29   2.76 +/- 0.03  88.796% * 99.3483% (0.84  10.0   6.15  92.64) =  99.992%  kept
          HA    LYS+  33 - HN    GLU-  29   9.23 +/- 0.78   2.545% *  0.1125% (0.95   1.0   0.02   0.02) =   0.003%
          HA    VAL   18 - HN    GLU-  29  13.35 +/- 1.84   1.007% *  0.0952% (0.80   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    GLU-  29  18.34 +/- 7.02   1.001% *  0.0864% (0.73   1.0   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    GLU-  29   7.67 +/- 0.51   4.286% *  0.0184% (0.15   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    GLU-  29  16.61 +/- 1.72   0.470% *  0.1166% (0.98   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    GLU-  29  13.90 +/- 1.58   0.820% *  0.0446% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLU-  29  22.38 +/- 4.75   0.671% *  0.0406% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLU-  29  26.17 +/- 3.59   0.135% *  0.1166% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLU-  29  21.18 +/- 3.95   0.268% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1071 (2.93, 8.29, 121.00 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.25, residual support = 32.5:
          HB2   ASN   28 - HN    GLU-  29   2.32 +/- 0.14  95.417% * 98.7551% (0.97   6.25  32.53) =  99.987%  kept
          QE    LYS+  33 - HN    GLU-  29   8.38 +/- 1.16   2.633% *  0.2937% (0.90   0.02   0.02) =   0.008%
          HB2   ASN   35 - HN    GLU-  29  11.81 +/- 1.39   0.897% *  0.1986% (0.61   0.02   0.02) =   0.002%
          QE    LYS+  65 - HN    GLU-  29  18.70 +/- 3.54   0.422% *  0.3275% (1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    GLU-  29  17.03 +/- 5.35   0.432% *  0.3023% (0.92   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HN    GLU-  29  19.32 +/- 3.12   0.198% *  0.1229% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1072 (2.74, 8.29, 121.00 ppm):
    4 chemical-shift based assignments, quality = 0.699, support = 5.56, residual support = 31.2:
          HB3   ASN   28 - HN    GLU-  29   3.31 +/- 0.14  77.472% * 47.0164% (0.65   5.79  32.53) =  76.254%  kept
          HG2   GLN   30 - HN    GLU-  29   5.34 +/- 0.69  21.567% * 52.5837% (0.87   4.83  26.75) =  23.742%  kept
          QE    LYS+ 121 - HN    GLU-  29  22.15 +/- 5.40   0.584% *  0.2375% (0.95   0.02   0.02) =   0.003%
          HB3   HIS  122 - HN    GLU-  29  23.98 +/- 5.14   0.377% *  0.1624% (0.65   0.02   0.02) =   0.001%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1073 (2.42, 8.29, 121.00 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 5.41, residual support = 92.5:
          HG2   GLU-  29 - HN    GLU-  29   3.16 +/- 0.41  87.287% * 97.1637% (0.57   5.41  92.64) =  99.891%  kept
          QG    GLN   32 - HN    GLU-  29   7.03 +/- 0.90  10.419% *  0.7887% (0.28   0.09   0.02) =   0.097%
          HB3   PHE   45 - HN    GLU-  29  19.07 +/- 2.84   0.581% *  0.6286% (0.99   0.02   0.02) =   0.004%
          HB3   ASP-  86 - HN    GLU-  29  17.24 +/- 5.55   1.123% *  0.2607% (0.41   0.02   0.02) =   0.003%
          HB    VAL  107 - HN    GLU-  29  22.11 +/- 2.38   0.320% *  0.5297% (0.84   0.02   0.02) =   0.002%
          QE    LYS+ 112 - HN    GLU-  29  25.20 +/- 4.65   0.269% *  0.6286% (0.99   0.02   0.02) =   0.002%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1075 (4.15, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.594, support = 5.28, residual support = 15.2:
          HA    ASN   28 - HN    GLN   30   3.98 +/- 0.13  36.854% * 66.2561% (0.45   6.83  19.46) =  71.002%  kept
          HA    THR   26 - HN    GLN   30   4.23 +/- 0.41  31.417% * 31.2659% (0.97   1.50   4.94) =  28.562%  kept
          HA1   GLY  101 - HN    LYS+  99   5.64 +/- 0.71  14.105% *  0.8899% (0.05   0.75   1.40) =   0.365%  kept
          HA    ALA   34 - HN    GLN   30   8.16 +/- 1.07   5.613% *  0.2797% (0.65   0.02   1.69) =   0.046%
          HA1   GLY  101 - HN    GLN   30  16.19 +/- 4.60   0.918% *  0.3612% (0.84   0.02   0.02) =   0.010%
          HA    ILE   19 - HN    GLN   30   9.53 +/- 1.26   3.656% *  0.0667% (0.15   0.02  14.75) =   0.007%
          HA    CYS   53 - HN    GLN   30  23.98 +/- 3.93   0.492% *  0.1475% (0.34   0.02   0.02) =   0.002%
          HA    GLU- 114 - HN    GLN   30  26.77 +/- 3.25   0.146% *  0.4091% (0.95   0.02   0.02) =   0.002%
          HA    LEU  115 - HN    GLN   30  23.47 +/- 2.66   0.208% *  0.2105% (0.49   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    LYS+  99  14.95 +/- 4.61   2.145% *  0.0127% (0.03   0.02   0.02) =   0.001%
          HA    ALA   34 - HN    LYS+  99  14.28 +/- 5.33   1.394% *  0.0184% (0.04   0.02   0.02) =   0.001%
          HA    THR   26 - HN    LYS+  99  18.73 +/- 4.10   0.746% *  0.0274% (0.06   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    LYS+  99  19.89 +/- 2.92   0.358% *  0.0269% (0.06   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  99  17.80 +/- 2.75   0.484% *  0.0138% (0.03   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+  99  17.72 +/- 3.76   1.247% *  0.0044% (0.01   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+  99  23.07 +/- 2.76   0.218% *  0.0097% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1076 (4.00, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.997, support = 6.5, residual support = 26.7:
      O   HA    GLU-  29 - HN    GLN   30   3.51 +/- 0.01  64.326% * 98.3519% (1.00  10.0   6.51  26.75) =  99.835%  kept
          HA    GLN   32 - HN    GLN   30   6.80 +/- 0.26   8.969% *  1.0195% (0.38   1.0   0.55   1.77) =   0.144%  kept
          HA    LYS+  33 - HN    GLN   30   7.65 +/- 0.57   6.527% *  0.0966% (0.98   1.0   0.02   0.31) =   0.010%
          HA    VAL   18 - HN    GLN   30  11.09 +/- 1.90   2.879% *  0.0977% (0.99   1.0   0.02   0.02) =   0.004%
          HB2   SER   82 - HN    GLN   30  18.61 +/- 6.27   1.125% *  0.0951% (0.97   1.0   0.02   0.02) =   0.002%
          HA    VAL   70 - HN    GLN   30  14.30 +/- 1.80   1.190% *  0.0753% (0.76   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    GLN   30  21.74 +/- 4.34   0.811% *  0.0638% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    GLN   30  11.70 +/- 1.75   2.211% *  0.0152% (0.15   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    GLN   30  24.64 +/- 3.20   0.235% *  0.0753% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   30  21.01 +/- 3.43   0.391% *  0.0405% (0.41   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  99  14.93 +/- 6.01   2.022% *  0.0049% (0.05   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   30  25.78 +/- 4.20   0.396% *  0.0219% (0.22   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  99  16.46 +/- 4.02   1.286% *  0.0064% (0.07   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LYS+  99  17.19 +/- 4.52   1.011% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LYS+  99  16.77 +/- 4.84   0.885% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  99  15.19 +/- 5.57   1.769% *  0.0024% (0.02   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  99  23.66 +/- 4.10   0.978% *  0.0042% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  99  21.57 +/- 4.79   0.459% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  99  20.06 +/- 3.22   0.410% *  0.0049% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  99  18.25 +/- 2.55   0.546% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LYS+  99  15.61 +/- 6.14   1.352% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  99  25.57 +/- 3.11   0.222% *  0.0014% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1077 (3.84, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.923, support = 6.41, residual support = 159.2:
      O   HA    GLN   30 - HN    GLN   30   2.81 +/- 0.03  85.731% * 99.5516% (0.92  10.0   6.41 159.23) =  99.996%  kept
          HB    THR   39 - HN    GLN   30  11.86 +/- 2.62   2.296% *  0.0483% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    GLN   30  18.20 +/- 5.84   0.737% *  0.0864% (0.80   1.0   0.02   0.02) =   0.001%
          QB    SER   13 - HN    GLN   30  14.53 +/- 2.69   0.921% *  0.0525% (0.49   1.0   0.02   0.02) =   0.001%
          HB3   SER   37 - HN    GLN   30  11.84 +/- 1.77   1.444% *  0.0333% (0.31   1.0   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    GLN   30  23.35 +/- 4.14   0.673% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLN   30  27.04 +/- 4.25   0.201% *  0.1041% (0.97   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LYS+  99  21.18 +/- 5.13   3.797% *  0.0034% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLN   30  19.69 +/- 2.46   0.309% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    LYS+  99  16.17 +/- 3.78   0.655% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LYS+  99  14.09 +/- 5.88   1.329% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LYS+  99  21.35 +/- 4.57   0.347% *  0.0057% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LYS+  99  16.17 +/- 6.26   0.812% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LYS+  99  16.88 +/- 1.71   0.427% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LYS+  99  26.84 +/- 3.06   0.125% *  0.0068% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LYS+  99  23.34 +/- 3.16   0.197% *  0.0037% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1078 (2.73, 8.31, 118.54 ppm):
    8 chemical-shift based assignments, quality = 0.983, support = 7.0, residual support = 138.7:
          HG2   GLN   30 - HN    GLN   30   3.25 +/- 0.50  70.705% * 63.0881% (1.00   7.38 159.23) =  85.282%  kept
          HB3   ASN   28 - HN    GLN   30   5.07 +/- 0.07  20.978% * 36.6895% (0.90   4.78  19.46) =  14.715%  kept
          QE    LYS+ 121 - HN    GLN   30  20.65 +/- 4.93   0.570% *  0.1244% (0.73   0.02   0.02) =   0.001%
          QE    LYS+ 121 - HN    LYS+  99  15.44 +/- 7.66   3.698% *  0.0082% (0.05   0.02   0.02) =   0.001%
          HB3   HIS  122 - HN    GLN   30  22.25 +/- 4.83   0.388% *  0.0643% (0.38   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LYS+  99  16.52 +/- 4.95   1.902% *  0.0101% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    LYS+  99  16.74 +/- 3.05   0.703% *  0.0112% (0.07   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    LYS+  99  19.08 +/- 6.93   1.056% *  0.0042% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1079 (1.87, 8.31, 118.54 ppm):
    26 chemical-shift based assignments, quality = 0.687, support = 6.93, residual support = 159.2:
      O   HB3   GLN   30 - HN    GLN   30   2.45 +/- 0.42  71.365% * 98.7410% (0.69  10.0   6.93 159.23) =  99.980%  kept
          QB    LYS+  33 - HN    GLN   30   5.71 +/- 1.00   9.283% *  0.1044% (0.73   1.0   0.02   0.31) =   0.014%
          HB3   LYS+  38 - HN    GLN   30  14.17 +/- 1.84   0.635% *  0.1247% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    GLN   30  19.29 +/- 3.39   0.551% *  0.0872% (0.61   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    GLN   30  18.36 +/- 4.02   0.546% *  0.0756% (0.53   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    LYS+  99   5.80 +/- 0.55   7.965% *  0.0050% (0.03   1.0   0.02   0.73) =   0.001%
          QB    LYS+  81 - HN    GLN   30  17.98 +/- 4.24   0.298% *  0.1247% (0.87   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    GLN   30  18.14 +/- 2.38   0.285% *  0.1289% (0.90   1.0   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    GLN   30  23.96 +/- 3.78   0.159% *  0.1387% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   30  22.29 +/- 3.85   0.144% *  0.1151% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  99   9.24 +/- 0.78   1.801% *  0.0085% (0.06   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   30  26.37 +/- 5.05   0.179% *  0.0814% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   30  19.84 +/- 2.55   0.197% *  0.0700% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  99   8.50 +/- 0.78   2.310% *  0.0057% (0.04   1.0   0.02   0.44) =   0.000%
          HB3   LYS+  38 - HN    LYS+  99  14.84 +/- 7.94   1.378% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   30  22.33 +/- 3.43   0.198% *  0.0490% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   30  23.15 +/- 3.20   0.116% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  99  19.94 +/- 4.40   0.557% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  99  15.04 +/- 3.85   0.579% *  0.0069% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  99  15.24 +/- 3.58   0.531% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  99  19.33 +/- 6.25   0.302% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  99  21.98 +/- 2.83   0.125% *  0.0091% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  99  20.66 +/- 1.58   0.144% *  0.0076% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  99  22.16 +/- 1.20   0.113% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  99  22.36 +/- 3.60   0.159% *  0.0032% (0.02   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  99  26.38 +/- 3.72   0.080% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1080 (0.79, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.807, support = 5.58, residual support = 49.1:
          HG    LEU   31 - HN    GLN   30   4.37 +/- 0.57  39.011% * 89.0796% (0.80   5.87  51.62) =  94.501%  kept
          QD2   LEU   73 - HN    GLN   30   6.77 +/- 2.55  19.744% * 10.1445% (0.92   0.58   5.67) =   5.447%  kept
          QG1   VAL   41 - HN    GLN   30   8.18 +/- 2.63  13.499% *  0.0946% (0.25   0.02   0.02) =   0.035%
          QD1   ILE   56 - HN    GLN   30  19.62 +/- 3.10   0.674% *  0.3784% (1.00   0.02   0.02) =   0.007%
          QG1   VAL   41 - HN    LYS+  99   8.85 +/- 5.33  17.539% *  0.0062% (0.02   0.02   0.02) =   0.003%
          HG3   LYS+ 121 - HN    GLN   30  23.31 +/- 4.83   0.447% *  0.2147% (0.57   0.02   0.02) =   0.003%
          HG    LEU   31 - HN    LYS+  99  13.53 +/- 4.63   3.630% *  0.0200% (0.05   0.02   0.02) =   0.002%
          QD2   LEU   73 - HN    LYS+  99  11.97 +/- 2.58   2.316% *  0.0230% (0.06   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HN    LYS+  99  16.77 +/- 8.27   2.425% *  0.0141% (0.04   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LYS+  99  17.51 +/- 2.43   0.716% *  0.0249% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1081 (1.49, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.725, support = 2.0, residual support = 4.93:
          QG2   THR   26 - HN    GLN   30   3.85 +/- 0.23  65.616% * 94.2903% (0.73   2.00   4.94) =  99.825%  kept
          HB2   LYS+  74 - HN    GLN   30  11.97 +/- 1.79   3.636% *  1.2283% (0.95   0.02   0.02) =   0.072%
          HB3   LEU   40 - HN    GLN   30  14.02 +/- 2.45   2.092% *  0.9429% (0.73   0.02   0.02) =   0.032%
          QD    LYS+  66 - HN    GLN   30  18.70 +/- 3.85   3.797% *  0.2891% (0.22   0.02   0.02) =   0.018%
          HG2   LYS+  65 - HN    GLN   30  17.97 +/- 3.00   1.066% *  0.8400% (0.65   0.02   0.02) =   0.014%
          HB3   LEU   40 - HN    LYS+  99  11.62 +/- 7.52  14.195% *  0.0619% (0.05   0.02   8.09) =   0.014%
          HD2   LYS+ 121 - HN    GLN   30  22.65 +/- 4.60   0.595% *  0.7352% (0.57   0.02   0.02) =   0.007%
          QB    ALA  120 - HN    GLN   30  22.12 +/- 3.50   0.648% *  0.6320% (0.49   0.02   0.02) =   0.007%
          HG    LEU  115 - HN    GLN   30  23.34 +/- 3.35   0.438% *  0.6320% (0.49   0.02   0.02) =   0.004%
          HB2   LYS+  74 - HN    LYS+  99  17.70 +/- 3.02   1.445% *  0.0807% (0.06   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - HN    LYS+  99  17.02 +/- 7.52   2.097% *  0.0483% (0.04   0.02   0.02) =   0.002%
          QG2   THR   26 - HN    LYS+  99  15.50 +/- 3.02   1.599% *  0.0619% (0.05   0.02   0.02) =   0.002%
          QB    ALA  120 - HN    LYS+  99  17.28 +/- 4.43   1.134% *  0.0415% (0.03   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LYS+  99  19.04 +/- 2.76   0.650% *  0.0415% (0.03   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+  99  21.44 +/- 2.86   0.427% *  0.0552% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+  99  20.23 +/- 3.67   0.567% *  0.0190% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1082 (2.06, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.385, support = 6.39, residual support = 159.2:
      O   HB2   GLN   30 - HN    GLN   30   3.18 +/- 0.57  45.151% * 86.6596% (0.41  10.0   6.37 159.23) =  88.930%  kept
          HG3   GLN   30 - HN    GLN   30   3.54 +/- 0.68  39.907% * 12.1912% (0.18   1.0   6.60 159.23) =  11.058%  kept
          HB3   GLU- 100 - HN    GLN   30  16.39 +/- 5.39   2.007% *  0.0719% (0.34   1.0   0.02   0.02) =   0.003%
          HB2   GLU-  14 - HN    GLN   30  15.24 +/- 3.31   0.825% *  0.1109% (0.53   1.0   0.02   0.02) =   0.002%
          HB2   PRO   93 - HN    GLN   30  21.63 +/- 3.51   0.360% *  0.2034% (0.97   1.0   0.02   0.02) =   0.002%
          HG2   MET   11 - HN    GLN   30  20.71 +/- 4.45   0.418% *  0.1193% (0.57   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    GLN   30  26.16 +/- 4.79   0.288% *  0.1531% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    LYS+  99   6.07 +/- 0.79   7.273% *  0.0047% (0.02   1.0   0.02  38.54) =   0.001%
          HG2   PRO   58 - HN    GLN   30  23.48 +/- 3.49   0.220% *  0.0945% (0.45   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLN   30  23.37 +/- 2.42   0.128% *  0.1364% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLN   30  27.38 +/- 4.24   0.174% *  0.0945% (0.45   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLN   30  24.32 +/- 3.37   0.122% *  0.0867% (0.41   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+  99  15.38 +/- 1.33   0.519% *  0.0090% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+  99  14.90 +/- 3.71   0.740% *  0.0057% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LYS+  99  19.46 +/- 0.90   0.215% *  0.0134% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  99  22.34 +/- 5.33   0.362% *  0.0073% (0.03   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LYS+  99  20.05 +/- 4.28   0.285% *  0.0057% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+  99  26.13 +/- 3.67   0.130% *  0.0101% (0.05   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  99  22.40 +/- 3.50   0.200% *  0.0062% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+  99  16.49 +/- 3.03   0.451% *  0.0024% (0.01   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    LYS+  99  28.22 +/- 6.27   0.122% *  0.0078% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  99  26.46 +/- 3.18   0.103% *  0.0062% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1083 (2.16, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.931, support = 5.67, residual support = 26.7:
          HB3   GLU-  29 - HN    GLN   30   3.90 +/- 0.18  53.964% * 42.9832% (0.90   5.24  26.75) =  58.679%  kept
          HG3   GLU-  29 - HN    GLN   30   4.90 +/- 0.37  28.914% * 56.4616% (0.98   6.29  26.75) =  41.300%  kept
          QB    GLU-  36 - HN    GLN   30   9.89 +/- 0.94   3.570% *  0.1110% (0.61   0.02   0.02) =   0.010%
          HB2   LYS+  38 - HN    GLN   30  13.91 +/- 1.48   1.389% *  0.1110% (0.61   0.02   0.02) =   0.004%
          HB3   GLU-  79 - HN    GLN   30  15.62 +/- 3.49   1.219% *  0.0963% (0.53   0.02   0.02) =   0.003%
          HB2   GLN   90 - HN    GLN   30  22.48 +/- 3.86   0.541% *  0.1814% (0.99   0.02   0.02) =   0.002%
          HB3   GLU-  79 - HN    LYS+  99  20.08 +/- 5.06   4.360% *  0.0063% (0.03   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    LYS+  99  15.74 +/- 7.60   2.855% *  0.0073% (0.04   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    LYS+  99  19.26 +/- 4.47   0.919% *  0.0118% (0.06   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LYS+  99  15.95 +/- 4.76   1.161% *  0.0073% (0.04   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  99  18.51 +/- 3.99   0.757% *  0.0108% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  99  21.23 +/- 1.50   0.351% *  0.0119% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1084 (2.24, 8.29, 121.00 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.45, residual support = 92.6:
      O   HB2   GLU-  29 - HN    GLU-  29   2.38 +/- 0.26  97.530% * 99.4303% (0.76  10.0   5.45  92.64) =  99.998%  kept
          HG2   GLU- 100 - HN    GLU-  29  17.18 +/- 5.35   0.894% *  0.1042% (0.80   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HN    GLU-  29  16.95 +/- 2.88   0.467% *  0.1129% (0.87   1.0   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    GLU-  29  21.57 +/- 3.35   0.193% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    GLU-  29  16.72 +/- 2.54   0.329% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  29  24.91 +/- 3.65   0.125% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  29  24.38 +/- 3.42   0.165% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  29  19.76 +/- 3.66   0.298% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1085 (2.17, 8.29, 121.00 ppm):
    7 chemical-shift based assignments, quality = 0.786, support = 5.55, residual support = 92.5:
      O   HB3   GLU-  29 - HN    GLU-  29   3.45 +/- 0.30  34.505% * 66.8691% (0.65  10.0   4.92  92.64) =  55.982%  kept
          HG3   GLU-  29 - HN    GLU-  29   2.91 +/- 0.31  56.827% * 31.7983% (0.97   1.0   6.38  92.64) =  43.843%  kept
          HB2   GLU-  25 - HN    GLU-  29   6.13 +/- 0.49   6.484% *  1.0927% (0.14   1.0   1.56   0.02) =   0.172%  kept
          HB2   LYS+  38 - HN    GLU-  29  15.76 +/- 1.64   0.403% *  0.0897% (0.87   1.0   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    GLU-  29  11.39 +/- 1.09   1.005% *  0.0353% (0.34   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    GLU-  29  16.16 +/- 3.79   0.591% *  0.0287% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  29  22.86 +/- 4.11   0.185% *  0.0863% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1086 (2.03, 7.18, 111.61 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 159.2:
      O   HG3   GLN   30 - HE21  GLN   30   3.85 +/- 0.23  43.151% * 85.9025% (0.99  10.0   3.19 159.23) =  86.112%  kept
          HB2   GLN   30 - HE21  GLN   30   3.87 +/- 0.61  43.892% * 13.6070% (0.80   1.0   3.92 159.23) =  13.875%  kept
          QB    GLU-  15 - HE21  GLN   30   9.64 +/- 2.28   4.507% *  0.0422% (0.49   1.0   0.02   0.02) =   0.004%
          HB2   GLN   17 - HE21  GLN   30  10.13 +/- 1.90   3.355% *  0.0422% (0.49   1.0   0.02   0.02) =   0.003%
          HB3   GLU- 100 - HE21  GLN   30  16.75 +/- 5.20   0.985% *  0.0752% (0.87   1.0   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HE21  GLN   30  12.00 +/- 1.88   2.122% *  0.0268% (0.31   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HE21  GLN   30  16.76 +/- 2.45   0.670% *  0.0752% (0.87   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HE21  GLN   30  21.66 +/- 3.71   0.363% *  0.0694% (0.80   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HE21  GLN   30  22.94 +/- 2.20   0.233% *  0.0491% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HE21  GLN   30  24.52 +/- 3.82   0.230% *  0.0422% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HE21  GLN   30  20.56 +/- 2.93   0.353% *  0.0193% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HE21  GLN   30  26.76 +/- 2.51   0.138% *  0.0491% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1087 (0.72, 7.18, 111.61 ppm):
    5 chemical-shift based assignments, quality = 0.323, support = 2.1, residual support = 14.7:
          QD1   ILE   19 - HE21  GLN   30   3.83 +/- 0.95  38.864% * 69.2407% (0.41   2.13  14.75) =  62.578%  kept
          QG2   ILE   19 - HE21  GLN   30   3.21 +/- 0.80  56.912% * 28.2072% (0.18   2.04  14.75) =  37.332%  kept
          QD1   LEU   98 - HE21  GLN   30  12.97 +/- 2.87   1.457% *  1.4152% (0.90   0.02   0.02) =   0.048%
          QD2   LEU  104 - HE21  GLN   30  13.95 +/- 3.35   1.776% *  0.8934% (0.57   0.02   0.02) =   0.037%
          QG2   THR   46 - HE21  GLN   30  14.34 +/- 2.55   0.991% *  0.2435% (0.15   0.02   0.02) =   0.006%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1088 (0.72, 6.64, 111.61 ppm):
    5 chemical-shift based assignments, quality = 0.318, support = 2.16, residual support = 14.7:
          QD1   ILE   19 - HE22  GLN   30   4.16 +/- 0.89  39.113% * 67.0456% (0.41   2.11  14.75) =  60.501%  kept
          QG2   ILE   19 - HE22  GLN   30   3.45 +/- 0.68  56.079% * 30.4491% (0.18   2.24  14.75) =  39.395%  kept
          QD1   LEU   98 - HE22  GLN   30  12.46 +/- 2.80   1.876% *  1.3893% (0.90   0.02   0.02) =   0.060%
          QD2   LEU  104 - HE22  GLN   30  13.62 +/- 3.03   1.902% *  0.8770% (0.57   0.02   0.02) =   0.038%
          QG2   THR   46 - HE22  GLN   30  13.82 +/- 2.61   1.029% *  0.2390% (0.15   0.02   0.02) =   0.006%
    Distance limit 4.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1089 (3.61, 8.06, 119.69 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.93, residual support = 44.5:
      O   HA    LEU   31 - HN    GLN   32   3.57 +/- 0.05  98.625% * 99.9819% (0.97  10.0   5.93  44.48) = 100.000%  kept
          HA    THR   77 - HN    GLN   32  18.89 +/- 3.64   1.375% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1090 (2.40, 8.06, 119.69 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 4.4, residual support = 44.1:
          QG    GLN   32 - HN    GLN   32   3.62 +/- 0.47  78.978% * 98.9026% (0.99   4.40  44.09) =  99.966%  kept
          HB2   GLU- 100 - HN    GLN   32  14.94 +/- 6.43  13.352% *  0.1009% (0.22   0.02   0.02) =   0.017%
          HB3   PHE   45 - HN    GLN   32  19.60 +/- 3.71   5.327% *  0.1260% (0.28   0.02   0.02) =   0.009%
          QG    GLU-  79 - HN    GLN   32  17.08 +/- 3.32   1.027% *  0.3630% (0.80   0.02   0.02) =   0.005%
          HB    VAL  107 - HN    GLN   32  21.44 +/- 2.60   0.613% *  0.3114% (0.69   0.02   0.02) =   0.002%
          QE    LYS+ 112 - HN    GLN   32  25.26 +/- 4.57   0.414% *  0.1260% (0.28   0.02   0.02) =   0.001%
          HB2   GLN  116 - HN    GLN   32  27.58 +/- 3.56   0.288% *  0.0699% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1091 (2.12, 8.06, 119.69 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 4.42, residual support = 44.1:
      O   QB    GLN   32 - HN    GLN   32   2.16 +/- 0.06  86.172% * 99.6924% (0.90  10.0   4.42  44.09) =  99.983%  kept
          HG3   GLU- 100 - HN    GLN   32  14.72 +/- 6.59  12.955% *  0.1090% (0.98   1.0   0.02   0.02) =   0.016%
          HB    VAL   24 - HN    GLN   32  12.04 +/- 0.60   0.508% *  0.1052% (0.95   1.0   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    GLN   32  20.37 +/- 3.07   0.155% *  0.0764% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLN   32  18.52 +/- 3.75   0.209% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1092 (1.89, 8.06, 119.69 ppm):
    10 chemical-shift based assignments, quality = 0.758, support = 2.94, residual support = 5.7:
          HB3   GLN   30 - HN    GLN   32   5.18 +/- 0.24  37.648% * 73.5852% (0.99   2.50   1.77) =  70.682%  kept
          QB    LYS+  33 - HN    GLN   32   4.74 +/- 0.38  48.367% * 23.6413% (0.20   4.02  15.25) =  29.174%  kept
          HB3   LYS+  38 - HN    GLN   32  11.80 +/- 1.74   6.551% *  0.5325% (0.90   0.02   0.02) =   0.089%
          HB    ILE   56 - HN    GLN   32  25.44 +/- 4.45   1.244% *  0.4538% (0.76   0.02   0.02) =   0.014%
          HB2   MET   92 - HN    GLN   32  24.68 +/- 4.25   0.839% *  0.5885% (0.99   0.02   0.02) =   0.013%
          HB3   PRO   58 - HN    GLN   32  24.15 +/- 3.85   0.576% *  0.5325% (0.90   0.02   0.02) =   0.008%
          QB    LYS+ 106 - HN    GLN   32  18.24 +/- 2.95   1.048% *  0.2025% (0.34   0.02   0.02) =   0.005%
          HG3   MET   11 - HN    GLN   32  21.42 +/- 4.72   1.468% *  0.1322% (0.22   0.02   0.02) =   0.005%
          HB3   GLN   90 - HN    GLN   32  23.63 +/- 4.45   1.269% *  0.1481% (0.25   0.02   0.02) =   0.005%
          QB    LYS+  81 - HN    GLN   32  20.00 +/- 4.70   0.990% *  0.1833% (0.31   0.02   0.02) =   0.005%
    Distance limit 4.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1093 (1.34, 8.06, 119.69 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.92, residual support = 44.5:
          HB2   LEU   31 - HN    GLN   32   2.85 +/- 0.27  85.458% * 97.3716% (0.98   5.93  44.48) =  99.961%  kept
          HG2   LYS+  38 - HN    GLN   32  10.53 +/- 2.25   5.925% *  0.2033% (0.61   0.02   0.02) =   0.014%
          HG2   LYS+  99 - HN    GLN   32  14.98 +/- 5.65   3.282% *  0.2434% (0.73   0.02   0.02) =   0.010%
          HG    LEU   98 - HN    GLN   32  14.14 +/- 4.49   1.486% *  0.2169% (0.65   0.02   0.02) =   0.004%
          HB3   ASP-  44 - HN    GLN   32  17.39 +/- 2.74   0.863% *  0.3007% (0.90   0.02   0.02) =   0.003%
          HB3   LEU   80 - HN    GLN   32  18.57 +/- 5.29   0.620% *  0.3345% (1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - HN    GLN   32  18.41 +/- 2.92   0.550% *  0.3235% (0.97   0.02   0.02) =   0.002%
          QB    ALA   84 - HN    GLN   32  17.14 +/- 3.51   0.606% *  0.1764% (0.53   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    GLN   32  23.05 +/- 4.29   0.445% *  0.1632% (0.49   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    GLN   32  24.32 +/- 4.61   0.201% *  0.2562% (0.76   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    GLN   32  18.41 +/- 3.38   0.465% *  0.0932% (0.28   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    GLN   32  29.30 +/- 3.67   0.099% *  0.3171% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1094 (1.12, 8.06, 119.69 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.92, residual support = 44.5:
          HB3   LEU   31 - HN    GLN   32   3.94 +/- 0.19  89.365% * 98.9129% (0.98   5.93  44.48) =  99.978%  kept
          QG1   VAL   24 - HN    GLN   32  10.48 +/- 0.42   4.916% *  0.1928% (0.57   0.02   0.02) =   0.011%
          QB    ALA   20 - HN    GLN   32  12.07 +/- 0.94   3.415% *  0.1792% (0.53   0.02   0.02) =   0.007%
          HG13  ILE  119 - HN    GLN   32  23.63 +/- 3.65   0.540% *  0.3287% (0.97   0.02   0.02) =   0.002%
          QG1   VAL  107 - HN    GLN   32  18.97 +/- 2.18   0.951% *  0.0849% (0.25   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    GLN   32  29.05 +/- 4.35   0.305% *  0.2340% (0.69   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    GLN   32  24.40 +/- 5.10   0.508% *  0.0674% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1096 (2.40, 7.95, 120.58 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 4.49, residual support = 15.2:
          QG    GLN   32 - HN    LYS+  33   4.17 +/- 0.25  91.715% * 98.6843% (0.84   4.49  15.25) =  99.973%  kept
          HB3   PHE   45 - HN    LYS+  33  20.41 +/- 3.33   4.788% *  0.2767% (0.53   0.02   0.02) =   0.015%
          QG    GLU-  79 - HN    LYS+  33  17.57 +/- 3.39   2.078% *  0.2767% (0.53   0.02   0.02) =   0.006%
          HB    VAL  107 - HN    LYS+  33  22.21 +/- 2.29   0.809% *  0.4855% (0.92   0.02   0.02) =   0.004%
          QE    LYS+ 112 - HN    LYS+  33  25.68 +/- 4.40   0.611% *  0.2767% (0.53   0.02   0.02) =   0.002%
    Distance limit 4.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1097 (2.11, 7.95, 120.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.56, residual support = 15.2:
          QB    GLN   32 - HN    LYS+  33   2.80 +/- 0.18  91.836% * 98.5899% (1.00   4.57  15.25) =  99.972%  kept
          HG3   GLU- 100 - HN    LYS+  33  14.78 +/- 6.47   5.418% *  0.3458% (0.80   0.02   0.02) =   0.021%
          HB    VAL   24 - HN    LYS+  33  13.66 +/- 0.51   0.823% *  0.4280% (0.99   0.02   0.02) =   0.004%
          HB2   PRO   68 - HN    LYS+  33  19.33 +/- 3.25   0.433% *  0.3987% (0.92   0.02   0.02) =   0.002%
          HB2   GLU-  14 - HN    LYS+  33  14.58 +/- 3.85   1.112% *  0.0666% (0.15   0.02   0.02) =   0.001%
          HG3   PRO   52 - HN    LYS+  33  29.84 +/- 4.35   0.191% *  0.0855% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  33  25.47 +/- 3.32   0.188% *  0.0855% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1098 (1.87, 7.95, 120.58 ppm):
    15 chemical-shift based assignments, quality = 0.964, support = 6.11, residual support = 153.3:
      O   QB    LYS+  33 - HN    LYS+  33   2.42 +/- 0.28  88.011% * 97.8810% (0.97  10.0   6.12 153.50) =  99.877%  kept
          HB3   GLN   30 - HN    LYS+  33   5.50 +/- 0.36   8.121% *  1.2696% (0.38   1.0   0.67   0.31) =   0.120%  kept
          HB3   LYS+  38 - HN    LYS+  33  10.87 +/- 1.08   1.545% *  0.0574% (0.57   1.0   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    LYS+  33  24.75 +/- 4.70   0.303% *  0.1005% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  33  19.28 +/- 3.14   0.365% *  0.0812% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  33  20.77 +/- 4.85   0.271% *  0.1014% (1.00   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  33  18.67 +/- 4.04   0.283% *  0.0847% (0.84   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  33  19.12 +/- 2.56   0.224% *  0.1012% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  33  19.70 +/- 3.14   0.239% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  33  25.83 +/- 3.97   0.139% *  0.0736% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  33  28.80 +/- 4.88   0.100% *  0.0880% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  33  25.62 +/- 3.96   0.124% *  0.0253% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  33  24.34 +/- 3.22   0.108% *  0.0137% (0.14   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  33  26.81 +/- 3.84   0.093% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  33  29.81 +/- 3.96   0.074% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1099 (1.56, 7.95, 120.58 ppm):
    3 chemical-shift based assignments, quality = 0.606, support = 4.61, residual support = 153.5:
          HG2   LYS+  33 - HN    LYS+  33   3.28 +/- 0.41  98.724% * 98.6674% (0.61   4.61 153.50) =  99.991%  kept
          QG    LYS+  81 - HN    LYS+  33  21.03 +/- 4.88   0.767% *  0.6515% (0.92   0.02   0.02) =   0.005%
          HG2   LYS+ 106 - HN    LYS+  33  20.51 +/- 2.68   0.509% *  0.6811% (0.97   0.02   0.02) =   0.004%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1100 (1.36, 7.95, 120.58 ppm):
    16 chemical-shift based assignments, quality = 0.366, support = 5.55, residual support = 142.8:
          HG3   LYS+  33 - HN    LYS+  33   2.73 +/- 0.92  70.977% * 74.5219% (0.38   5.80 153.50) =  93.006%  kept
          HB2   LEU   31 - HN    LYS+  33   5.04 +/- 0.23  20.114% * 19.5844% (0.25   2.29   1.00) =   6.926%  kept
          HG    LEU   98 - HN    LYS+  33  14.81 +/- 4.06   1.193% *  0.5938% (0.87   0.02   0.02) =   0.012%
          HB3   LEU   73 - HN    LYS+  33  11.55 +/- 2.53   1.827% *  0.3602% (0.53   0.02   0.02) =   0.012%
          QB    ALA   84 - HN    LYS+  33  17.95 +/- 3.67   0.904% *  0.6476% (0.95   0.02   0.02) =   0.010%
          HB    VAL   42 - HN    LYS+  33  13.48 +/- 1.45   1.136% *  0.3069% (0.45   0.02   0.02) =   0.006%
          HB3   ASP-  44 - HN    LYS+  33  17.79 +/- 2.44   0.829% *  0.4152% (0.61   0.02   0.02) =   0.006%
          HG3   LYS+ 102 - HN    LYS+  33  19.07 +/- 5.51   0.728% *  0.3876% (0.57   0.02   0.02) =   0.005%
          HB3   PRO   93 - HN    LYS+  33  23.85 +/- 3.99   0.345% *  0.6607% (0.97   0.02   0.02) =   0.004%
          HG3   LYS+ 106 - HN    LYS+  33  19.65 +/- 2.41   0.357% *  0.5232% (0.76   0.02   0.02) =   0.003%
          HB2   LEU   63 - HN    LYS+  33  18.30 +/- 2.78   0.406% *  0.3332% (0.49   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    LYS+  33  19.28 +/- 5.20   0.502% *  0.2569% (0.38   0.02   0.02) =   0.002%
          QB    ALA  124 - HN    LYS+  33  24.05 +/- 4.78   0.204% *  0.5232% (0.76   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HN    LYS+  33  19.64 +/- 3.08   0.271% *  0.3069% (0.45   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    LYS+  33  29.12 +/- 3.88   0.110% *  0.4429% (0.65   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    LYS+  33  30.10 +/- 3.25   0.097% *  0.1355% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1101 (0.08, 7.95, 120.58 ppm):
    3 chemical-shift based assignments, quality = 0.649, support = 0.807, residual support = 0.999:
          QD2   LEU   31 - HN    LYS+  33   5.17 +/- 0.20  87.759% * 93.1201% (0.65   0.81   1.00) =  99.488%  kept
          QG2   VAL   83 - HN    LYS+  33  14.93 +/- 4.01   6.031% *  3.5202% (0.99   0.02   0.02) =   0.258%  kept
          QD1   ILE   89 - HN    LYS+  33  15.78 +/- 2.67   6.210% *  3.3597% (0.95   0.02   0.02) =   0.254%  kept
    Distance limit 4.72 A violated in 0 structures by 0.45 A, kept.
 
    Peak 1114 (4.00, 8.36, 120.50 ppm):
    11 chemical-shift based assignments, quality = 0.88, support = 3.1, residual support = 4.74:
          HA    LYS+  33 - HN    ASN   35   3.56 +/- 0.25  44.891% * 69.1852% (0.98   3.33   5.09) =  82.636%  kept
          HA    GLN   32 - HN    ASN   35   3.94 +/- 0.42  34.152% * 17.1955% (0.38   2.16   3.40) =  15.625%  kept
          HA    VAL   18 - HN    ASN   35  12.52 +/- 3.09   4.236% *  8.9830% (0.99   0.43   0.02) =   1.013%  kept
          HB2   SER   37 - HN    ASN   35   6.29 +/- 0.82   9.431% *  2.6160% (0.15   0.80   0.02) =   0.656%  kept
          HA    GLU-  29 - HN    ASN   35   8.14 +/- 0.75   4.045% *  0.4224% (1.00   0.02   0.02) =   0.045%
          HA    VAL   70 - HN    ASN   35  12.22 +/- 1.85   1.575% *  0.3235% (0.76   0.02   0.02) =   0.014%
          HA    ALA   88 - HN    ASN   35  23.91 +/- 4.86   0.796% *  0.1741% (0.41   0.02   0.02) =   0.004%
          HB2   SER   82 - HN    ASN   35  23.12 +/- 6.63   0.302% *  0.4086% (0.97   0.02   0.02) =   0.003%
          HA    SER   48 - HN    ASN   35  25.68 +/- 4.25   0.270% *  0.2739% (0.65   0.02   0.02) =   0.002%
          HA    GLN  116 - HN    ASN   35  25.67 +/- 3.02   0.144% *  0.3235% (0.76   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    ASN   35  28.85 +/- 3.93   0.158% *  0.0943% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1115 (4.10, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.96, residual support = 51.5:
          HA    GLU-  36 - HN    ASN   35   5.03 +/- 0.14  80.506% * 98.5266% (0.97   3.96  51.53) =  99.954%  kept
          HA    LYS+  81 - HN    ASN   35  23.09 +/- 5.40   2.797% *  0.5143% (1.00   0.02   0.02) =   0.018%
          HA    ASN   28 - HN    ASN   35   9.38 +/- 0.79  13.926% *  0.1020% (0.20   0.02   0.02) =   0.018%
          HA    ALA  124 - HN    ASN   35  27.60 +/- 6.05   0.926% *  0.4127% (0.80   0.02   0.02) =   0.005%
          HA    ARG+  54 - HN    ASN   35  27.33 +/- 4.63   0.880% *  0.3541% (0.69   0.02   0.02) =   0.004%
          HA    LEU  115 - HN    ASN   35  24.51 +/- 3.02   0.964% *  0.0903% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.17 A violated in 0 structures by 0.85 A, kept.
 
    Peak 1116 (2.92, 8.36, 120.50 ppm):
    8 chemical-shift based assignments, quality = 0.364, support = 5.56, residual support = 50.7:
      O   HB2   ASN   35 - HN    ASN   35   3.10 +/- 0.44  77.822% * 71.1245% (0.31  10.0   5.83  54.66) =  91.965%  kept
          QE    LYS+  33 - HN    ASN   35   5.98 +/- 0.97  17.217% * 28.0480% (1.00   1.0   2.44   5.09) =   8.023%  kept
          HB2   ASN   28 - HN    ASN   35  11.13 +/- 0.76   1.923% *  0.2224% (0.97   1.0   0.02   0.02) =   0.007%
          HB2   ASP-  86 - HN    ASN   35  20.21 +/- 5.71   0.643% *  0.1491% (0.65   1.0   0.02   0.02) =   0.002%
          QE    LYS+  65 - HN    ASN   35  19.52 +/- 2.62   0.387% *  0.1999% (0.87   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HN    ASN   35  23.70 +/- 4.43   0.372% *  0.1583% (0.69   1.0   0.02   0.02) =   0.001%
          HB2   ASN   69 - HN    ASN   35  15.44 +/- 2.59   1.082% *  0.0404% (0.18   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HN    ASN   35  20.28 +/- 3.65   0.555% *  0.0575% (0.25   1.0   0.02   0.02) =   0.001%
    Distance limit 3.24 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1117 (1.28, 8.36, 120.50 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 3.44, residual support = 21.2:
          QB    ALA   34 - HN    ASN   35   2.98 +/- 0.19  80.948% * 98.0730% (0.92   3.45  21.18) =  99.938%  kept
          HG3   LYS+  38 - HN    ASN   35   7.32 +/- 0.98   6.680% *  0.3490% (0.57   0.02   0.02) =   0.029%
          QG2   THR   39 - HN    ASN   35   7.01 +/- 0.99   7.406% *  0.1903% (0.31   0.02   0.11) =   0.018%
          QG2   THR   23 - HN    ASN   35  14.51 +/- 1.29   0.765% *  0.6043% (0.98   0.02   0.02) =   0.006%
          QG2   THR   77 - HN    ASN   35  17.22 +/- 4.27   3.065% *  0.1220% (0.20   0.02   0.02) =   0.005%
          QG2   ILE   56 - HN    ASN   35  21.60 +/- 3.75   0.598% *  0.4711% (0.76   0.02   0.02) =   0.004%
          QB    ALA   91 - HN    ASN   35  21.76 +/- 3.25   0.538% *  0.1903% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1118 (2.93, 7.61, 111.81 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.87, residual support = 94.6:
      O   HB2   ASN   28 - HD21  ASN   28   3.93 +/- 0.11  78.474% * 99.6076% (0.97  10.0   3.87  94.63) =  99.975%  kept
          HB2   ASP-  86 - HD21  ASN   28  13.54 +/- 6.96   7.906% *  0.0953% (0.92   1.0   0.02   0.02) =   0.010%
          QE    LYS+  65 - HD21  ASN   28  17.92 +/- 4.81   7.162% *  0.1032% (1.00   1.0   0.02   0.02) =   0.009%
          QE    LYS+  33 - HD21  ASN   28  12.19 +/- 0.73   2.751% *  0.0926% (0.90   1.0   0.02   0.02) =   0.003%
          HB2   ASN   35 - HD21  ASN   28  14.19 +/- 2.03   2.251% *  0.0626% (0.61   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HD21  ASN   28  17.25 +/- 3.82   1.454% *  0.0387% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1119 (2.73, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.5, residual support = 94.5:
      O   HB3   ASN   28 - HD21  ASN   28   3.98 +/- 0.25  88.241% * 97.6489% (0.90  10.0   3.51  94.63) =  99.775%  kept
          HG2   GLN   30 - HD21  ASN   28   8.86 +/- 0.85   8.623% *  2.2312% (1.00   1.0   0.41  19.46) =   0.223%  kept
          QE    LYS+ 121 - HD21  ASN   28  21.06 +/- 5.81   2.369% *  0.0791% (0.73   1.0   0.02   0.02) =   0.002%
          HB3   HIS  122 - HD21  ASN   28  22.80 +/- 5.41   0.767% *  0.0409% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1120 (1.06, 7.61, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 2.05, residual support = 14.8:
          QG2   VAL   24 - HD21  ASN   28   2.20 +/- 0.57  93.662% * 97.1842% (0.76   2.05  14.83) =  99.951%  kept
          HG    LEU   63 - HD21  ASN   28  18.42 +/- 4.47   3.313% *  1.1147% (0.90   0.02   0.02) =   0.041%
          HB2   LEU  104 - HD21  ASN   28  17.17 +/- 4.90   2.535% *  0.1918% (0.15   0.02   0.02) =   0.005%
          HG3   LYS+ 112 - HD21  ASN   28  25.59 +/- 4.41   0.179% *  1.1995% (0.97   0.02   0.02) =   0.002%
          QG2   VAL  108 - HD21  ASN   28  16.96 +/- 2.80   0.311% *  0.3099% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1121 (4.49, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.01, residual support = 47.3:
      O   HA    TRP   27 - HN    ASN   28   3.61 +/- 0.02  98.387% * 99.7755% (1.00  10.0   5.01  47.30) =  99.999%  kept
          HA    ALA   91 - HN    ASN   28  21.87 +/- 2.92   0.524% *  0.0921% (0.92   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ASN   28  21.69 +/- 2.47   0.524% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ASN   28  26.11 +/- 4.20   0.565% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1122 (3.76, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.49, residual support = 14.8:
          HA    VAL   24 - HN    ASN   28   3.77 +/- 0.32  94.044% * 99.5252% (0.92   6.49  14.83) =  99.991%  kept
          HA    ALA   61 - HN    ASN   28  16.11 +/- 2.93   2.511% *  0.1366% (0.41   0.02   0.02) =   0.004%
          HA    LYS+  38 - HN    ASN   28  14.40 +/- 2.02   2.356% *  0.1366% (0.41   0.02   0.02) =   0.003%
          HD2   PRO   68 - HN    ASN   28  19.46 +/- 3.02   1.089% *  0.2016% (0.61   0.02   0.02) =   0.002%
    Distance limit 4.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1124 (3.57, 8.80, 115.33 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.29, residual support = 47.3:
          HB2   TRP   27 - HN    ASN   28   3.19 +/- 0.21  98.477% * 99.2336% (0.80   5.29  47.30) =  99.994%  kept
          HA    THR   77 - HN    ASN   28  15.29 +/- 2.43   1.144% *  0.3913% (0.84   0.02   0.02) =   0.005%
          HD2   PRO   93 - HN    ASN   28  21.89 +/- 3.02   0.379% *  0.3751% (0.80   0.02   0.02) =   0.001%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1125 (2.93, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.3, residual support = 94.6:
      O   HB2   ASN   28 - HN    ASN   28   2.44 +/- 0.10  95.276% * 99.6076% (0.97  10.0   6.30  94.63) =  99.996%  kept
          QE    LYS+  33 - HN    ASN   28   9.93 +/- 0.90   1.583% *  0.0926% (0.90   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    ASN   28  15.07 +/- 5.70   1.025% *  0.0953% (0.92   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HN    ASN   28  17.39 +/- 3.84   0.941% *  0.1032% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   ASN   35 - HN    ASN   28  13.13 +/- 1.55   0.798% *  0.0626% (0.61   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HN    ASN   28  17.35 +/- 3.13   0.376% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1126 (2.73, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.899, support = 5.93, residual support = 93.0:
      O   HB3   ASN   28 - HN    ASN   28   3.55 +/- 0.01  78.809% * 91.5619% (0.90  10.0   6.02  94.63) =  97.795%  kept
          HG2   GLN   30 - HN    ASN   28   5.95 +/- 0.75  19.531% *  8.3256% (1.00   1.0   1.63  19.46) =   2.204%  kept
          QE    LYS+ 121 - HN    ASN   28  21.03 +/- 5.53   1.003% *  0.0741% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   HIS  122 - HN    ASN   28  22.62 +/- 5.19   0.657% *  0.0383% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1127 (2.19, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.55, support = 2.41, residual support = 18.0:
          HB2   GLU-  25 - HN    ASN   28   5.69 +/- 0.16  40.512% * 53.6746% (0.90   1.04   3.81) =  50.377%  kept
          HG3   GLU-  29 - HN    ASN   28   5.33 +/- 0.33  49.063% * 43.5104% (0.20   3.81  32.53) =  49.457%  kept
          QG    GLN   17 - HN    ASN   28  14.81 +/- 1.77   3.082% *  0.9230% (0.80   0.02   0.02) =   0.066%
          HB    VAL   70 - HN    ASN   28  16.07 +/- 1.74   2.156% *  0.8371% (0.73   0.02   0.02) =   0.042%
          HB2   LYS+  38 - HN    ASN   28  16.59 +/- 1.99   2.052% *  0.6992% (0.61   0.02   0.02) =   0.033%
          HB2   MET   96 - HN    ASN   28  14.83 +/- 2.77   3.136% *  0.3558% (0.31   0.02   0.02) =   0.026%
    Distance limit 4.73 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1128 (1.09, 8.80, 115.33 ppm):
    5 chemical-shift based assignments, quality = 0.483, support = 3.48, residual support = 14.8:
          QG2   VAL   24 - HN    ASN   28   3.61 +/- 0.24  67.094% * 56.5614% (0.45   3.86  14.83) =  78.114%  kept
          QG1   VAL   24 - HN    ASN   28   5.06 +/- 0.27  25.084% * 42.3156% (0.61   2.14  14.83) =  21.848%  kept
          HG    LEU   63 - HN    ASN   28  18.11 +/- 4.41   6.936% *  0.2017% (0.31   0.02   0.02) =   0.029%
          QG1   VAL  107 - HN    ASN   28  18.03 +/- 2.04   0.629% *  0.6032% (0.92   0.02   0.02) =   0.008%
          HD3   LYS+ 112 - HN    ASN   28  26.96 +/- 4.61   0.257% *  0.3181% (0.49   0.02   0.02) =   0.002%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1129 (0.61, 8.80, 115.33 ppm):
    7 chemical-shift based assignments, quality = 0.391, support = 2.59, residual support = 1.01:
          QD2   LEU   80 - HN    ASN   28  11.45 +/- 6.42  23.073% * 51.3902% (0.45   2.48   1.11) =  49.854%  kept
          QD1   LEU   73 - HN    ASN   28   5.79 +/- 2.56  36.567% * 24.5474% (0.15   3.44   1.21) =  37.742%  kept
          QG1   VAL   83 - HN    ASN   28  10.91 +/- 5.40  12.460% * 20.1645% (1.00   0.44   0.02) =  10.564%  kept
          QD1   LEU   63 - HN    ASN   28  14.58 +/- 3.81  15.355% *  2.3595% (0.15   0.33   0.02) =   1.523%  kept
          QD1   LEU  104 - HN    ASN   28  14.49 +/- 3.86   9.811% *  0.6350% (0.69   0.02   0.02) =   0.262%  kept
          QG2   ILE   89 - HN    ASN   28  13.83 +/- 2.35   1.832% *  0.5234% (0.57   0.02   0.02) =   0.040%
          QD2   LEU  115 - HN    ASN   28  18.88 +/- 3.29   0.901% *  0.3801% (0.41   0.02   0.02) =   0.014%
    Distance limit 4.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1130 (3.77, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.05, residual support = 26.7:
          HA    VAL   24 - HN    TRP   27   3.07 +/- 0.21  94.698% * 99.0306% (0.99   3.05  26.67) =  99.991%  kept
          HA    LYS+  38 - HN    TRP   27  15.49 +/- 1.96   0.941% *  0.4750% (0.73   0.02   0.02) =   0.005%
          HA    ALA   61 - HN    TRP   27  15.10 +/- 2.41   1.677% *  0.1146% (0.18   0.02   0.02) =   0.002%
          HD2   PRO   68 - HN    TRP   27  18.95 +/- 2.42   0.610% *  0.2019% (0.31   0.02   0.02) =   0.001%
          HA    VAL   24 - HN    ALA   91  17.93 +/- 3.06   0.592% *  0.0801% (0.12   0.02   0.02) =   0.001%
          HA    LYS+  38 - HN    ALA   91  24.71 +/- 3.50   0.434% *  0.0587% (0.09   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ALA   91  17.16 +/- 2.82   0.717% *  0.0142% (0.02   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ALA   91  22.50 +/- 2.83   0.330% *  0.0249% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1131 (3.56, 7.73, 123.24 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.36, residual support = 100.6:
      O   HB2   TRP   27 - HN    TRP   27   2.05 +/- 0.08  91.140% * 99.8160% (0.99  10.0   5.36 100.64) =  99.999%  kept
          HD2   PRO   93 - HN    ALA   91   6.18 +/- 1.12   4.715% *  0.0123% (0.12   1.0   0.02   0.02) =   0.001%
          HA    THR   77 - HN    ALA   91  10.58 +/- 4.39   3.475% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    TRP   27  14.19 +/- 2.17   0.420% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    TRP   27  21.40 +/- 2.56   0.096% *  0.0998% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ALA   91  18.30 +/- 2.55   0.155% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1132 (2.99, 7.73, 123.24 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 5.64, residual support = 100.6:
      O   HB3   TRP   27 - HN    TRP   27   3.11 +/- 0.19  87.536% * 99.6559% (0.99  10.0   5.64 100.64) =  99.996%  kept
          HB2   PHE   97 - HN    TRP   27  17.48 +/- 3.76   1.396% *  0.0986% (0.98   1.0   0.02   0.02) =   0.002%
          QE    LYS+  99 - HN    TRP   27  16.52 +/- 3.36   1.036% *  0.0529% (0.53   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HN    TRP   27  17.27 +/- 3.26   0.757% *  0.0610% (0.61   1.0   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    TRP   27  17.39 +/- 3.12   0.885% *  0.0413% (0.41   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    TRP   27  15.97 +/- 2.96   1.075% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    ALA   91  11.30 +/- 2.06   2.824% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    TRP   27  19.09 +/- 4.34   1.260% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   91  16.04 +/- 1.08   0.689% *  0.0122% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   91  17.94 +/- 2.34   0.518% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ALA   91  15.85 +/- 3.60   1.023% *  0.0051% (0.05   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    ALA   91  20.63 +/- 1.13   0.320% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ALA   91  23.67 +/- 3.67   0.273% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ALA   91  19.56 +/- 1.97   0.409% *  0.0017% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1133 (2.60, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 0.715, residual support = 1.42:
          HB3   CYS   21 - HN    TRP   27   4.08 +/- 1.51  86.620% * 96.1881% (0.53   0.72   1.42) =  99.825%  kept
          HG2   MET   96 - HN    TRP   27  16.32 +/- 3.04   3.543% *  3.0973% (0.61   0.02   0.02) =   0.131%  kept
          HG2   MET   96 - HN    ALA   91  12.36 +/- 1.35   7.855% *  0.3827% (0.07   0.02   0.02) =   0.036%
          HB3   CYS   21 - HN    ALA   91  19.65 +/- 2.55   1.981% *  0.3320% (0.07   0.02   0.02) =   0.008%
    Distance limit 4.38 A violated in 3 structures by 0.45 A, kept.
 
    Peak 1135 (1.50, 7.73, 123.24 ppm):
    20 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 22.6:
          QG2   THR   26 - HN    TRP   27   3.37 +/- 0.29  76.815% * 94.7423% (0.98   4.45  22.65) =  99.757%  kept
          HB2   LYS+  74 - HN    TRP   27  10.17 +/- 1.81   4.791% *  3.2655% (0.80   0.19   0.02) =   0.214%  kept
          QD    LYS+  66 - HN    TRP   27  18.40 +/- 3.79   1.557% *  0.3319% (0.76   0.02   0.02) =   0.007%
          HG2   LYS+  65 - HN    TRP   27  16.82 +/- 3.25   1.072% *  0.4333% (1.00   0.02   0.02) =   0.006%
          HD3   LYS+  74 - HN    TRP   27  12.32 +/- 2.68   5.418% *  0.0761% (0.18   0.02   0.02) =   0.006%
          HD2   LYS+ 121 - HN    TRP   27  22.50 +/- 5.23   0.493% *  0.4333% (1.00   0.02   0.02) =   0.003%
          HG    LEU  104 - HN    TRP   27  17.89 +/- 4.21   1.399% *  0.1207% (0.28   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    TRP   27  16.10 +/- 2.91   1.135% *  0.0859% (0.20   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - HN    TRP   27  23.12 +/- 5.02   0.425% *  0.1207% (0.28   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HN    ALA   91  17.19 +/- 2.11   0.727% *  0.0430% (0.10   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA   91  18.84 +/- 2.32   0.557% *  0.0526% (0.12   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA   91  20.50 +/- 3.59   0.537% *  0.0535% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    ALA   91  13.97 +/- 3.19   1.902% *  0.0106% (0.02   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    ALA   91  21.51 +/- 3.23   0.353% *  0.0535% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    TRP   27  26.34 +/- 3.09   0.201% *  0.0859% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA   91  21.09 +/- 2.59   0.394% *  0.0410% (0.09   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ALA   91  16.69 +/- 3.25   1.007% *  0.0094% (0.02   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    ALA   91  19.60 +/- 1.23   0.433% *  0.0149% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    ALA   91  21.21 +/- 2.95   0.362% *  0.0149% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA   91  20.69 +/- 2.38   0.421% *  0.0106% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1136 (0.58, 7.73, 123.24 ppm):
    16 chemical-shift based assignments, quality = 0.931, support = 3.06, residual support = 18.5:
          QD1   LEU   73 - HN    TRP   27   5.00 +/- 2.39  32.258% * 57.2749% (1.00   3.31  23.90) =  70.797%  kept
          QD2   LEU   80 - HN    TRP   27  10.49 +/- 6.29  20.188% * 34.8601% (0.76   2.63   5.84) =  26.968%  kept
          QD1   LEU   63 - HN    TRP   27  13.98 +/- 3.62   8.455% *  5.7161% (1.00   0.33   0.02) =   1.852%  kept
          QG1   VAL   83 - HN    TRP   27  10.70 +/- 4.85   5.242% *  1.2192% (0.15   0.46   0.37) =   0.245%  kept
          QD2   LEU   63 - HN    TRP   27  14.38 +/- 3.84  10.116% *  0.2101% (0.61   0.02   0.02) =   0.081%
          QD1   LEU  104 - HN    TRP   27  14.97 +/- 3.84   4.243% *  0.1822% (0.53   0.02   0.02) =   0.030%
          QG2   VAL   41 - HN    TRP   27   9.72 +/- 2.88   6.342% *  0.0469% (0.14   0.02   0.38) =   0.011%
          QD2   LEU  115 - HN    TRP   27  18.34 +/- 3.27   0.515% *  0.2773% (0.80   0.02   0.02) =   0.005%
          QD2   LEU   80 - HN    ALA   91  12.06 +/- 2.22   2.361% *  0.0327% (0.09   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    ALA   91  12.96 +/- 3.03   1.506% *  0.0343% (0.10   0.02   0.02) =   0.002%
          QD1   LEU   73 - HN    ALA   91  14.23 +/- 2.09   1.034% *  0.0427% (0.12   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    ALA   91  14.42 +/- 1.88   0.827% *  0.0427% (0.12   0.02   0.02) =   0.001%
          QG1   VAL   83 - HN    ALA   91  10.55 +/- 1.68   4.732% *  0.0066% (0.02   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    ALA   91  15.16 +/- 1.99   0.742% *  0.0260% (0.07   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    ALA   91  16.76 +/- 1.27   0.515% *  0.0225% (0.07   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ALA   91  14.48 +/- 2.15   0.926% *  0.0058% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1137 (0.14, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.894, support = 0.02, residual support = 0.805:
          QG2   VAL   75 - HN    TRP   27   8.70 +/- 2.33  39.344% * 43.3149% (0.95   0.02   1.16) =  61.164%  kept
          QG2   VAL   42 - HN    TRP   27  11.95 +/- 2.47  18.665% * 45.6877% (1.00   0.02   0.31) =  30.606%  kept
          QG2   VAL   75 - HN    ALA   91  11.10 +/- 2.88  26.423% *  5.3521% (0.12   0.02   0.02) =   5.076%  kept
          QG2   VAL   42 - HN    ALA   91  12.55 +/- 1.87  15.568% *  5.6453% (0.12   0.02   0.02) =   3.154%  kept
    Distance limit 4.58 A violated in 15 structures by 2.67 A, eliminated.
    Peak unassigned.
 
    Peak 1139 (0.59, 10.20, 129.00 ppm):
    7 chemical-shift based assignments, quality = 0.841, support = 1.59, residual support = 17.0:
          QD1   LEU   73 - HE1   TRP   27   6.17 +/- 2.08  27.053% * 46.3617% (0.87   1.92  23.90) =  66.518%  kept
          QD2   LEU   80 - HE1   TRP   27  10.75 +/- 6.87   8.945% * 38.2415% (0.99   1.38   5.84) =  18.142%  kept
          QG1   VAL   83 - HE1   TRP   27   8.91 +/- 6.93  29.849% *  6.3254% (0.41   0.55   0.37) =  10.014%  kept
          QD1   LEU   63 - HE1   TRP   27  13.17 +/- 3.94  14.534% *  5.7641% (0.87   0.24   0.02) =   4.443%  kept
          QD2   LEU   63 - HE1   TRP   27  13.90 +/- 3.63   3.976% *  2.2672% (0.28   0.29   0.02) =   0.478%  kept
          QD1   LEU  104 - HE1   TRP   27  12.86 +/- 3.98  14.597% *  0.4837% (0.87   0.02   0.02) =   0.374%  kept
          QD2   LEU  115 - HE1   TRP   27  16.87 +/- 3.30   1.046% *  0.5564% (1.00   0.02   0.02) =   0.031%
    Distance limit 4.54 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1140 (0.05, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.564, support = 1.6, residual support = 15.3:
          QD2   LEU   31 - HE1   TRP   27   4.14 +/- 0.91  63.412% * 49.1587% (0.31   2.14  22.42) =  62.628%  kept
          QG2   VAL   43 - HE1   TRP   27   7.37 +/- 3.28  36.588% * 50.8413% (0.99   0.69   3.40) =  37.372%  kept
    Distance limit 3.96 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1141 (2.19, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.73, residual support = 31.6:
          HB2   GLU-  25 - HN    THR   26   2.77 +/- 0.27  86.293% * 98.9827% (0.90   5.73  31.66) =  99.984%  kept
          HG3   GLU-  29 - HN    THR   26   5.70 +/- 0.40  11.193% *  0.0763% (0.20   0.02   0.85) =   0.010%
          QG    GLN   17 - HN    THR   26  14.71 +/- 1.93   0.748% *  0.3086% (0.80   0.02   0.02) =   0.003%
          HB2   MET   96 - HN    THR   26  16.84 +/- 3.05   1.078% *  0.1189% (0.31   0.02   0.02) =   0.002%
          HB    VAL   70 - HN    THR   26  17.69 +/- 1.69   0.385% *  0.2798% (0.73   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    THR   26  19.36 +/- 1.76   0.303% *  0.2337% (0.61   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1142 (2.02, 8.12, 116.43 ppm):
    14 chemical-shift based assignments, quality = 0.565, support = 5.22, residual support = 31.6:
          HB3   GLU-  25 - HN    THR   26   3.45 +/- 0.30  71.794% * 95.4710% (0.57   5.22  31.66) =  99.834%  kept
          HG3   GLN   30 - HN    THR   26   6.86 +/- 0.90  11.361% *  0.5393% (0.84   0.02   4.94) =   0.089%
          HB2   GLN   30 - HN    THR   26   7.72 +/- 0.72   7.522% *  0.3397% (0.53   0.02   4.94) =   0.037%
          HB3   GLU- 100 - HN    THR   26  19.97 +/- 5.48   1.877% *  0.3916% (0.61   0.02   0.02) =   0.011%
          QB    GLU-  15 - HN    THR   26  15.77 +/- 1.96   0.970% *  0.4934% (0.76   0.02   0.02) =   0.007%
          HB    ILE   19 - HN    THR   26   9.87 +/- 1.04   3.440% *  0.1278% (0.20   0.02   0.02) =   0.006%
          HB2   GLN   17 - HN    THR   26  16.38 +/- 1.70   0.765% *  0.4934% (0.76   0.02   0.02) =   0.005%
          HB3   PRO   68 - HN    THR   26  22.70 +/- 3.18   0.372% *  0.6442% (1.00   0.02   0.02) =   0.003%
          HB    ILE  119 - HN    THR   26  25.20 +/- 4.30   0.374% *  0.3397% (0.53   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - HN    THR   26  28.75 +/- 3.40   0.168% *  0.5393% (0.84   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    THR   26  24.12 +/- 3.03   0.318% *  0.1993% (0.31   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    THR   26  24.28 +/- 3.64   0.352% *  0.1610% (0.25   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    THR   26  25.50 +/- 4.78   0.340% *  0.1610% (0.25   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    THR   26  22.58 +/- 2.72   0.344% *  0.0996% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1143 (1.50, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 4.45, residual support = 34.7:
          QG2   THR   26 - HN    THR   26   3.61 +/- 0.11  88.717% * 98.0813% (0.95   4.45  34.72) =  99.958%  kept
          HB2   LYS+  74 - HN    THR   26  11.71 +/- 1.79   3.826% *  0.4617% (0.99   0.02   0.02) =   0.020%
          HG2   LYS+  65 - HN    THR   26  18.17 +/- 3.62   1.687% *  0.4178% (0.90   0.02   0.02) =   0.008%
          QD    LYS+  66 - HN    THR   26  19.76 +/- 4.08   2.507% *  0.2089% (0.45   0.02   0.02) =   0.006%
          HD2   LYS+ 121 - HN    THR   26  24.24 +/- 5.62   0.726% *  0.3891% (0.84   0.02   0.02) =   0.003%
          HB3   LEU   40 - HN    THR   26  18.27 +/- 2.94   0.968% *  0.2089% (0.45   0.02   0.02) =   0.002%
          QB    ALA  120 - HN    THR   26  23.13 +/- 4.64   1.180% *  0.1162% (0.25   0.02   0.02) =   0.002%
          HG    LEU  115 - HN    THR   26  23.98 +/- 3.54   0.390% *  0.1162% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1144 (1.32, 8.12, 116.43 ppm):
    10 chemical-shift based assignments, quality = 0.678, support = 0.02, residual support = 0.02:
          HB2   LEU   31 - HN    THR   26   9.83 +/- 0.24  27.178% * 11.0578% (0.69   0.02   0.02) =  30.823%  kept
          HB3   LEU   80 - HN    THR   26  14.43 +/- 5.61  19.767% *  8.4695% (0.53   0.02   0.02) =  17.171%  kept
          HG2   LYS+  99 - HN    THR   26  19.83 +/- 4.82   7.701% * 15.5357% (0.97   0.02   0.02) =  12.271%  kept
          QB    ALA   88 - HN    THR   26  17.73 +/- 3.07   6.917% * 13.9639% (0.87   0.02   0.02) =   9.906%  kept
          QG2   THR   77 - HN    THR   26  13.63 +/- 1.73  11.577% *  7.8357% (0.49   0.02   0.02) =   9.304%  kept
          HG2   LYS+  38 - HN    THR   26  18.59 +/- 2.27   4.467% * 16.0623% (1.00   0.02   0.02) =   7.359%  kept
          HB2   LEU   63 - HN    THR   26  18.39 +/- 3.56   9.542% *  6.6181% (0.41   0.02   0.02) =   6.476%  kept
          HB3   ASP-  44 - HN    THR   26  16.40 +/- 2.42   7.375% *  4.9686% (0.31   0.02   0.02) =   3.758%  kept
          HG2   LYS+ 111 - HN    THR   26  29.04 +/- 3.43   1.221% * 12.3026% (0.76   0.02   0.02) =   1.541%  kept
          QB    ALA  124 - HN    THR   26  24.93 +/- 5.66   4.255% *  3.1858% (0.20   0.02   0.02) =   1.390%  kept
    Distance limit 4.64 A violated in 20 structures by 3.95 A, eliminated.
    Peak unassigned.
 
    Peak 1145 (3.76, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.65, residual support = 34.0:
      O   HA    VAL   24 - HN    GLU-  25   3.59 +/- 0.03  97.188% * 99.8455% (0.92  10.0   5.65  34.03) =  99.999%  kept
          HA    ALA   61 - HN    GLU-  25  17.36 +/- 3.06   1.411% *  0.0445% (0.41   1.0   0.02   0.02) =   0.001%
          HD2   PRO   68 - HN    GLU-  25  22.01 +/- 3.26   0.631% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    GLU-  25  18.90 +/- 2.04   0.770% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1146 (2.18, 8.78, 120.28 ppm):
    7 chemical-shift based assignments, quality = 0.606, support = 6.12, residual support = 127.4:
      O   HB2   GLU-  25 - HN    GLU-  25   2.81 +/- 0.41  89.632% * 99.5608% (0.61  10.0   6.12 127.38) =  99.993%  kept
          HG3   GLU-  29 - HN    GLU-  25   7.38 +/- 0.40   5.807% *  0.0736% (0.45   1.0   0.02   0.02) =   0.005%
          HB3   GLU-  29 - HN    GLU-  25   9.21 +/- 0.51   3.026% *  0.0253% (0.15   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    GLU-  25  21.03 +/- 2.04   0.267% *  0.1472% (0.90   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    GLU-  25  16.71 +/- 1.75   0.488% *  0.0799% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    GLU-  25  18.90 +/- 2.01   0.369% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  25  20.50 +/- 4.69   0.410% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1147 (2.02, 8.78, 120.28 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 5.85, residual support = 127.4:
      O   HB3   GLU-  25 - HN    GLU-  25   2.65 +/- 0.69  88.571% * 98.7761% (0.57  10.0   5.86 127.38) =  99.986%  kept
          HG3   GLN   30 - HN    GLU-  25   9.26 +/- 0.78   3.742% *  0.1457% (0.84   1.0   0.02   0.02) =   0.006%
          HB2   GLN   30 - HN    GLU-  25   9.83 +/- 0.71   2.443% *  0.0918% (0.53   1.0   0.02   0.02) =   0.003%
          HB3   GLU- 100 - HN    GLU-  25  20.72 +/- 5.95   0.788% *  0.1058% (0.61   1.0   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    GLU-  25  18.02 +/- 1.86   0.501% *  0.1333% (0.76   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    GLU-  25  18.64 +/- 1.56   0.437% *  0.1333% (0.76   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    GLU-  25  23.98 +/- 3.63   0.292% *  0.1741% (1.00   1.0   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    GLU-  25  12.14 +/- 0.97   1.390% *  0.0345% (0.20   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    GLU-  25  25.44 +/- 4.70   0.360% *  0.0918% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLU-  25  28.30 +/- 3.63   0.153% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  25  25.14 +/- 4.96   0.498% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  25  24.06 +/- 3.91   0.292% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  25  23.47 +/- 3.47   0.225% *  0.0538% (0.31   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  25  23.79 +/- 3.26   0.307% *  0.0269% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1148 (1.29, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 3.33, residual support = 6.39:
          QG2   THR   23 - HN    GLU-  25   4.05 +/- 0.73  87.359% * 98.6414% (0.73   3.33   6.40) =  99.946%  kept
          QG2   THR   77 - HN    GLU-  25  13.34 +/- 1.89   3.616% *  0.5924% (0.73   0.02   0.02) =   0.025%
          QB    ALA   34 - HN    GLU-  25  11.91 +/- 0.86   4.353% *  0.3062% (0.38   0.02   0.02) =   0.015%
          QB    ALA   88 - HN    GLU-  25  16.79 +/- 3.72   3.249% *  0.2783% (0.34   0.02   0.02) =   0.010%
          QG2   ILE   56 - HN    GLU-  25  20.13 +/- 3.46   1.422% *  0.1816% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.43 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1149 (1.07, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.53, residual support = 34.0:
          QG2   VAL   24 - HN    GLU-  25   3.37 +/- 0.47  90.399% * 99.2327% (0.97   4.53  34.03) =  99.960%  kept
          HG    LEU   63 - HN    GLU-  25  19.95 +/- 4.76   8.748% *  0.3936% (0.87   0.02   0.02) =   0.038%
          QG1   VAL  107 - HN    GLU-  25  19.36 +/- 2.64   0.612% *  0.1703% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HN    GLU-  25  27.23 +/- 4.40   0.241% *  0.2034% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1150 (2.52, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.27, residual support = 127.4:
          HG2   GLU-  25 - HN    GLU-  25   3.58 +/- 0.81  94.866% * 99.4304% (0.97   5.27 127.38) =  99.992%  kept
          HB3   TRP   87 - HN    GLU-  25  16.74 +/- 4.23   3.283% *  0.1208% (0.31   0.02   0.02) =   0.004%
          HB3   PHE   95 - HN    GLU-  25  19.44 +/- 2.66   1.238% *  0.1905% (0.49   0.02   0.02) =   0.002%
          HG2   GLN  116 - HN    GLU-  25  26.80 +/- 4.74   0.321% *  0.1609% (0.41   0.02   0.02) =   0.001%
          HG3   GLN  116 - HN    GLU-  25  27.25 +/- 4.81   0.293% *  0.0976% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1151 (3.76, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.34, residual support = 64.9:
      O   HA    VAL   24 - HN    VAL   24   2.77 +/- 0.06  98.170% * 99.8455% (0.92  10.0   4.34  64.95) =  99.999%  kept
          HA    ALA   61 - HN    VAL   24  15.53 +/- 3.24   1.124% *  0.0445% (0.41   1.0   0.02   0.02) =   0.001%
          HD2   PRO   68 - HN    VAL   24  20.77 +/- 3.21   0.348% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    VAL   24  19.17 +/- 2.23   0.358% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1152 (2.12, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 4.68, residual support = 64.9:
      O   HB    VAL   24 - HN    VAL   24   2.54 +/- 0.28  88.878% * 99.7135% (0.95  10.0   4.68  64.95) =  99.997%  kept
          HB3   GLU-  79 - HN    VAL   24  10.58 +/- 5.37   9.564% *  0.0163% (0.15   1.0   0.02   0.02) =   0.002%
          QB    GLN   32 - HN    VAL   24  12.44 +/- 0.53   0.871% *  0.0945% (0.90   1.0   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HN    VAL   24  21.00 +/- 5.27   0.444% *  0.1033% (0.98   1.0   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    VAL   24  22.86 +/- 3.78   0.243% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1153 (1.29, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.43, residual support = 25.8:
          QG2   THR   23 - HN    VAL   24   3.94 +/- 0.50  86.514% * 99.1626% (0.73   5.43  25.78) =  99.961%  kept
          QG2   THR   77 - HN    VAL   24  11.60 +/- 2.26   5.284% *  0.3652% (0.73   0.02   0.02) =   0.022%
          QB    ALA   34 - HN    VAL   24  12.09 +/- 1.06   3.646% *  0.1887% (0.38   0.02   0.02) =   0.008%
          QB    ALA   88 - HN    VAL   24  15.70 +/- 3.59   3.126% *  0.1715% (0.34   0.02   0.02) =   0.006%
          QG2   ILE   56 - HN    VAL   24  18.42 +/- 3.36   1.429% *  0.1120% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.33 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1154 (1.10, 9.21, 123.27 ppm):
    6 chemical-shift based assignments, quality = 0.854, support = 4.16, residual support = 64.9:
          QG1   VAL   24 - HN    VAL   24   2.05 +/- 0.31  80.330% * 77.1653% (0.90   4.08  64.95) =  93.808%  kept
          QG2   VAL   24 - HN    VAL   24   3.62 +/- 0.23  18.671% * 21.9026% (0.20   5.25  64.95) =   6.189%  kept
          QG1   VAL  107 - HN    VAL   24  17.94 +/- 2.75   0.317% *  0.4176% (0.99   0.02   0.02) =   0.002%
          HB3   LEU   31 - HN    VAL   24  12.52 +/- 0.66   0.447% *  0.0938% (0.22   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    VAL   24  25.55 +/- 4.79   0.067% *  0.3373% (0.80   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    VAL   24  21.77 +/- 4.37   0.168% *  0.0834% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1155 (0.58, 9.21, 123.27 ppm):
    8 chemical-shift based assignments, quality = 0.866, support = 1.8, residual support = 2.77:
          QD1   LEU   73 - HN    VAL   24   6.87 +/- 1.98  23.682% * 41.4965% (1.00   1.84   1.87) =  44.633%  kept
          QD2   LEU   80 - HN    VAL   24   9.69 +/- 6.47  27.500% * 35.3320% (0.76   2.04   4.33) =  44.130%  kept
          QD1   LEU   63 - HN    VAL   24  14.78 +/- 3.81  10.443% * 14.7670% (1.00   0.65   0.02) =   7.004%  kept
          QG1   VAL   83 - HN    VAL   24   9.93 +/- 5.55  14.399% *  4.0100% (0.15   1.15   0.61) =   2.623%  kept
          QD2   LEU   63 - HN    VAL   24  15.40 +/- 3.72   8.685% *  3.7329% (0.61   0.27   0.02) =   1.472%  kept
          QD1   LEU  104 - HN    VAL   24  16.39 +/- 4.52  10.115% *  0.2381% (0.53   0.02   0.02) =   0.109%  kept
          QD2   LEU  115 - HN    VAL   24  18.11 +/- 3.70   1.063% *  0.3623% (0.80   0.02   0.02) =   0.017%
          QG2   VAL   41 - HN    VAL   24  12.02 +/- 2.80   4.113% *  0.0612% (0.14   0.02   0.02) =   0.011%
    Distance limit 3.86 A violated in 3 structures by 0.48 A, kept.
 
    Peak 1156 (3.49, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.988, support = 4.93, residual support = 21.0:
          HB2   HIS   22 - HN    THR   23   4.51 +/- 0.13  82.158% * 88.5229% (0.99   5.03  21.48) =  97.816%  kept
          HA    LEU   63 - HN    THR   23  16.47 +/- 3.82  14.193% * 11.4290% (0.84   0.77   0.02) =   2.182%  kept
          HA2   GLY  101 - HN    THR   23  20.60 +/- 4.39   3.649% *  0.0481% (0.14   0.02   0.02) =   0.002%
    Distance limit 4.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1157 (3.23, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.64, residual support = 21.5:
          HB3   HIS   22 - HN    THR   23   4.31 +/- 0.28  95.794% * 99.7181% (0.76   5.64  21.48) =  99.994%  kept
          HD3   ARG+  54 - HN    THR   23  23.22 +/- 5.24   2.083% *  0.1903% (0.41   0.02   0.02) =   0.004%
          HB2   PHE   95 - HN    THR   23  17.92 +/- 3.05   2.123% *  0.0916% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.46 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1158 (2.58, 7.33, 104.59 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.05, residual support = 3.66:
          HB3   CYS   21 - HN    THR   23   3.85 +/- 0.79 100.000% *100.0000% (1.00   2.05   3.66) = 100.000%  kept
    Distance limit 4.57 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1159 (1.49, 7.33, 104.59 ppm):
    8 chemical-shift based assignments, quality = 0.731, support = 1.93, residual support = 12.7:
          QG2   THR   26 - HN    THR   23   4.58 +/- 0.46  64.033% * 88.2751% (0.73   1.99  13.07) =  97.007%  kept
          HB2   LYS+  74 - HN    THR   23   8.15 +/- 1.78  20.850% *  7.8896% (0.95   0.14   0.02) =   2.823%  kept
          HD2   LYS+ 121 - HN    THR   23  21.78 +/- 5.90   3.835% *  0.6925% (0.57   0.02   0.02) =   0.046%
          HG2   LYS+  65 - HN    THR   23  15.08 +/- 3.18   3.245% *  0.7913% (0.65   0.02   0.02) =   0.044%
          HB3   LEU   40 - HN    THR   23  17.48 +/- 3.40   2.254% *  0.8882% (0.73   0.02   0.02) =   0.034%
          QB    ALA  120 - HN    THR   23  20.91 +/- 5.01   2.522% *  0.5954% (0.49   0.02   0.02) =   0.026%
          QD    LYS+  66 - HN    THR   23  17.30 +/- 2.94   2.291% *  0.2723% (0.22   0.02   0.02) =   0.011%
          HG    LEU  115 - HN    THR   23  20.96 +/- 3.58   0.971% *  0.5954% (0.49   0.02   0.02) =   0.010%
    Distance limit 4.47 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1160 (1.30, 7.33, 104.59 ppm):
    6 chemical-shift based assignments, quality = 0.411, support = 4.86, residual support = 19.0:
          QG2   THR   23 - HN    THR   23   3.06 +/- 0.55  90.518% * 97.7548% (0.41   4.87  19.05) =  99.935%  kept
          QG2   THR   77 - HN    THR   23  11.19 +/- 1.86   4.617% *  0.9431% (0.97   0.02   0.02) =   0.049%
          QB    ALA   88 - HN    THR   23  16.70 +/- 2.61   1.147% *  0.6322% (0.65   0.02   0.02) =   0.008%
          QB    ALA   34 - HN    THR   23  11.17 +/- 1.41   2.591% *  0.1508% (0.15   0.02   0.02) =   0.004%
          HG2   LYS+  99 - HN    THR   23  19.77 +/- 4.37   0.664% *  0.2176% (0.22   0.02   0.02) =   0.002%
          HG2   LYS+  38 - HN    THR   23  19.61 +/- 2.44   0.462% *  0.3016% (0.31   0.02   0.02) =   0.002%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1161 (0.57, 7.33, 104.59 ppm):
    8 chemical-shift based assignments, quality = 0.473, support = 1.02, residual support = 0.41:
          QD1   LEU   73 - HN    THR   23   5.55 +/- 1.82  27.662% * 25.7707% (0.53   0.76   0.25) =  39.869%  kept
          QD2   LEU   80 - HN    THR   23   9.75 +/- 5.49  18.049% * 27.7565% (0.20   2.16   0.74) =  28.019%  kept
          QD1   LEU   80 - HN    THR   23  10.08 +/- 6.12  21.454% * 11.3194% (0.45   0.39   0.74) =  13.582%  kept
          QD2   LEU   63 - HN    THR   23  13.77 +/- 3.75  10.605% * 17.7026% (1.00   0.27   0.02) =  10.499%  kept
          QD1   LEU   63 - HN    THR   23  13.38 +/- 3.40   8.479% * 15.7416% (0.53   0.46   0.02) =   7.465%  kept
          QG2   VAL   41 - HN    THR   23  11.18 +/- 3.10   9.241% *  0.8389% (0.65   0.02   0.02) =   0.434%  kept
          QD2   LEU   98 - HN    THR   23  12.99 +/- 3.52   3.619% *  0.5814% (0.45   0.02   0.02) =   0.118%  kept
          QD2   LEU  115 - HN    THR   23  17.24 +/- 3.57   0.892% *  0.2887% (0.22   0.02   0.02) =   0.014%
    Distance limit 3.93 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1162 (3.23, 9.10, 120.75 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.45, residual support = 35.1:
      O   HB3   HIS   22 - HN    HIS   22   2.81 +/- 0.45  99.357% * 99.9260% (0.98  10.0   3.45  35.14) = 100.000%  kept
          HD3   ARG+  54 - HN    HIS   22  23.36 +/- 5.67   0.643% *  0.0740% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1163 (1.62, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.265, support = 6.65, residual support = 169.6:
          HG3   ARG+  54 - HN    ARG+  54   3.66 +/- 0.67  50.157% * 95.1188% (0.26   6.69 170.49) =  99.494%  kept
          QB    ALA   57 - HN    ARG+  54   6.03 +/- 1.76  24.799% *  0.7822% (0.72   0.02   0.02) =   0.405%  kept
          QB    ALA   57 - HN    ASP-  62   6.75 +/- 0.89   9.912% *  0.1464% (0.14   0.02   0.02) =   0.030%
          HD3   LYS+ 111 - HN    ARG+  54  15.03 +/- 2.57   1.176% *  0.8195% (0.76   0.02   0.02) =   0.020%
          HD2   LYS+  74 - HN    ASP-  62   9.58 +/- 3.47   8.286% *  0.0859% (0.08   0.02   0.02) =   0.015%
          HB3   LEU  123 - HN    ARG+  54  19.32 +/- 3.80   0.516% *  1.0032% (0.93   0.02   0.02) =   0.011%
          HD2   LYS+  74 - HN    ARG+  54  15.67 +/- 3.57   1.067% *  0.4589% (0.42   0.02   0.02) =   0.010%
          QD    LYS+  33 - HN    ARG+  54  24.91 +/- 3.49   0.254% *  1.0032% (0.93   0.02   0.02) =   0.005%
          HB3   LEU  123 - HN    ASP-  62  14.27 +/- 1.86   1.112% *  0.1877% (0.17   0.02   0.02) =   0.004%
          QD    LYS+  33 - HN    ASP-  62  18.08 +/- 2.14   0.541% *  0.1877% (0.17   0.02   0.02) =   0.002%
          HG3   ARG+  54 - HN    ASP-  62  12.74 +/- 2.17   1.665% *  0.0532% (0.05   0.02   0.02) =   0.002%
          HD3   LYS+ 111 - HN    ASP-  62  18.43 +/- 1.60   0.515% *  0.1533% (0.14   0.02   0.02) =   0.002%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1165 (3.08, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 3.41, residual support = 29.8:
      O   HB2   CYS   21 - HN    CYS   21   3.06 +/- 0.47  95.232% * 99.8975% (0.90  10.0   3.41  29.82) =  99.999%  kept
          HB2   PHE   45 - HN    CYS   21  14.42 +/- 2.13   1.164% *  0.0195% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   CYS   21 - HN    ILE  119  21.07 +/- 3.66   0.626% *  0.0316% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    ILE  119  12.67 +/- 1.00   1.597% *  0.0109% (0.10   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    CYS   21  23.79 +/- 2.22   0.280% *  0.0344% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   PHE   45 - HN    ILE  119  14.94 +/- 2.02   1.102% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1166 (2.60, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 3.4, residual support = 29.8:
      O   HB3   CYS   21 - HN    CYS   21   2.97 +/- 0.54  97.285% * 99.8170% (0.53  10.0   3.40  29.82) =  99.998%  kept
          HG2   MET   96 - HN    CYS   21  15.98 +/- 2.77   0.939% *  0.1151% (0.61   1.0   0.02   0.02) =   0.001%
          HG2   MET   96 - HN    ILE  119  15.31 +/- 3.27   1.387% *  0.0364% (0.19   1.0   0.02   0.02) =   0.001%
          HB3   CYS   21 - HN    ILE  119  20.98 +/- 3.81   0.389% *  0.0315% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1167 (1.84, 7.93, 121.01 ppm):
    26 chemical-shift based assignments, quality = 0.544, support = 0.02, residual support = 0.217:
          HB    VAL   41 - HN    CYS   21  11.26 +/- 3.52   9.202% *  9.1141% (0.80   0.02   0.02) =  21.279%  kept
          HG    LEU  123 - HN    ILE  119   6.41 +/- 0.91  23.130% *  3.5886% (0.32   0.02   0.96) =  21.060%  kept
          HG12  ILE  103 - HN    CYS   21  16.75 +/- 3.83   4.382% * 10.5070% (0.92   0.02   0.02) =  11.681%  kept
          HG    LEU  123 - HN    CYS   21  21.87 +/- 4.53   2.393% * 11.3569% (1.00   0.02   0.02) =   6.896%  kept
          QB    LYS+  66 - HN    CYS   21  13.57 +/- 1.81   2.944% *  6.9036% (0.61   0.02   0.02) =   5.158%  kept
          QB    LYS+  33 - HN    CYS   21  10.61 +/- 1.45   6.742% *  2.5341% (0.22   0.02   0.02) =   4.335%  kept
          QB    LYS+  66 - HN    ILE  119  12.03 +/- 2.89   6.250% *  2.1815% (0.19   0.02   0.02) =   3.459%  kept
          HB3   ASP- 105 - HN    ILE  119  11.78 +/- 5.96  10.088% *  1.1101% (0.10   0.02   0.02) =   2.841%  kept
          HB3   PRO   52 - HN    ILE  119  14.88 +/- 2.79   3.020% *  3.5886% (0.32   0.02   0.02) =   2.750%  kept
          HG3   PRO   68 - HN    CYS   21  17.29 +/- 2.67   2.065% *  4.6793% (0.41   0.02   0.02) =   2.451%  kept
          HB    ILE  103 - HN    CYS   21  19.10 +/- 4.06   2.106% *  4.2718% (0.38   0.02   0.02) =   2.282%  kept
          HB3   PRO   52 - HN    CYS   21  23.10 +/- 3.01   0.792% * 11.3569% (1.00   0.02   0.02) =   2.282%  kept
          HB3   ASP- 105 - HN    CYS   21  18.43 +/- 4.29   2.515% *  3.5131% (0.31   0.02   0.02) =   2.242%  kept
          QB    LYS+ 102 - HN    CYS   21  18.55 +/- 3.70   3.727% *  1.9934% (0.18   0.02   0.02) =   1.885%  kept
          HG2   PRO   93 - HN    ILE  119  13.72 +/- 3.15   5.235% *  1.2268% (0.11   0.02   0.02) =   1.629%  kept
          HG2   ARG+  54 - HN    CYS   21  21.45 +/- 3.95   1.390% *  3.8825% (0.34   0.02   0.02) =   1.369%  kept
          HG12  ILE  103 - HN    ILE  119  17.62 +/- 3.78   1.371% *  3.3201% (0.29   0.02   0.02) =   1.155%  kept
          HB    VAL   41 - HN    ILE  119  17.44 +/- 2.98   1.521% *  2.8799% (0.25   0.02   0.02) =   1.112%  kept
          HG3   PRO   68 - HN    ILE  119  16.65 +/- 4.70   2.744% *  1.4786% (0.13   0.02   0.02) =   1.030%  kept
          HG2   PRO   93 - HN    CYS   21  20.04 +/- 2.57   0.879% *  3.8825% (0.34   0.02   0.02) =   0.866%  kept
          HG2   ARG+  54 - HN    ILE  119  15.08 +/- 2.37   2.640% *  1.2268% (0.11   0.02   0.02) =   0.822%  kept
          HB3   GLN   90 - HN    CYS   21  19.99 +/- 3.45   1.094% *  1.9934% (0.18   0.02   0.02) =   0.553%  kept
          HB    ILE  103 - HN    ILE  119  18.01 +/- 4.03   1.264% *  1.3499% (0.12   0.02   0.02) =   0.433%  kept
          QB    LYS+ 102 - HN    ILE  119  18.86 +/- 4.04   1.083% *  0.6299% (0.06   0.02   0.02) =   0.173%  kept
          QB    LYS+  33 - HN    ILE  119  22.76 +/- 2.67   0.656% *  0.8007% (0.07   0.02   0.02) =   0.133%  kept
          HB3   GLN   90 - HN    ILE  119  21.16 +/- 2.88   0.767% *  0.6299% (0.06   0.02   0.02) =   0.123%  kept
    Distance limit 3.66 A violated in 14 structures by 1.99 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 1168 (1.13, 7.93, 121.01 ppm):
    14 chemical-shift based assignments, quality = 0.545, support = 6.09, residual support = 147.2:
          HG13  ILE  119 - HN    ILE  119   3.14 +/- 0.67  44.040% * 43.7244% (0.31   8.18 269.49) =  51.742%  kept
          QB    ALA   20 - HN    CYS   21   3.54 +/- 0.21  33.536% * 53.2948% (0.80   3.86  16.08) =  48.026%  kept
          HG2   LYS+ 121 - HN    ILE  119   7.55 +/- 0.76   4.688% *  1.5476% (0.13   0.69   8.33) =   0.195%  kept
          QG1   VAL   24 - HN    CYS   21   8.14 +/- 1.11   3.946% *  0.1065% (0.31   0.02   0.02) =   0.011%
          HB3   LEU   31 - HN    CYS   21  11.87 +/- 1.22   1.022% *  0.3329% (0.97   0.02   0.02) =   0.009%
          QG2   VAL  107 - HN    ILE  119   7.97 +/- 3.92   8.218% *  0.0243% (0.07   0.02   0.02) =   0.005%
          HG13  ILE  119 - HN    CYS   21  18.25 +/- 3.21   0.334% *  0.3381% (0.98   0.02   0.02) =   0.003%
          HD3   LYS+ 112 - HN    ILE  119   9.92 +/- 1.40   1.512% *  0.0448% (0.13   0.02   0.02) =   0.002%
          QB    ALA   20 - HN    ILE  119  16.31 +/- 4.06   0.746% *  0.0873% (0.25   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HN    CYS   21  21.10 +/- 5.19   0.435% *  0.1418% (0.41   0.02   0.02) =   0.002%
          QG2   VAL  107 - HN    CYS   21  15.84 +/- 2.90   0.692% *  0.0768% (0.22   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    ILE  119  22.11 +/- 3.53   0.205% *  0.1052% (0.30   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    CYS   21  23.49 +/- 4.19   0.139% *  0.1418% (0.41   0.02   0.02) =   0.001%
          QG1   VAL   24 - HN    ILE  119  19.68 +/- 4.27   0.487% *  0.0336% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1169 (0.76, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.539, support = 1.96, residual support = 6.55:
          QD2   LEU   73 - HN    CYS   21   5.08 +/- 1.84  26.811% * 64.4396% (0.57   2.22   8.03) =  80.841%  kept
          QD1   ILE   19 - HN    CYS   21   5.75 +/- 1.09  18.407% * 14.1464% (0.22   1.24   0.43) =  12.184%  kept
          QG2   VAL   18 - HN    CYS   21   6.43 +/- 1.11  10.746% *  5.5894% (0.65   0.17   0.02) =   2.810%  kept
          QG1   VAL   41 - HN    CYS   21   9.80 +/- 2.99   6.711% *  6.7137% (0.98   0.13   0.02) =   2.108%  kept
          QG1   VAL   43 - HN    CYS   21   9.73 +/- 2.84   6.053% *  5.9413% (0.87   0.13   0.02) =   1.683%  kept
          HG    LEU   31 - HN    CYS   21   9.71 +/- 1.17   3.002% *  0.7445% (0.73   0.02   0.02) =   0.105%  kept
          QG2   THR   46 - HN    CYS   21  11.58 +/- 2.47   2.106% *  0.5394% (0.53   0.02   0.02) =   0.053%
          QG1   VAL   43 - HN    ILE  119  12.95 +/- 2.76   3.346% *  0.2810% (0.27   0.02   0.02) =   0.044%
          QG2   THR   46 - HN    ILE  119  12.25 +/- 2.79   5.292% *  0.1704% (0.17   0.02   0.02) =   0.042%
          QD1   ILE   56 - HN    ILE  119   7.12 +/- 0.86   8.674% *  0.1000% (0.10   0.02   0.02) =   0.041%
          QD2   LEU   73 - HN    ILE  119  14.20 +/- 3.42   3.251% *  0.1834% (0.18   0.02   0.02) =   0.028%
          QG2   VAL   18 - HN    ILE  119  14.47 +/- 3.59   2.724% *  0.2096% (0.20   0.02   0.02) =   0.027%
          QD1   ILE   56 - HN    CYS   21  15.99 +/- 2.77   1.095% *  0.3164% (0.31   0.02   0.02) =   0.016%
          QG1   VAL   41 - HN    ILE  119  15.76 +/- 2.53   0.833% *  0.3175% (0.31   0.02   0.02) =   0.012%
          HG    LEU   31 - HN    ILE  119  21.48 +/- 3.29   0.360% *  0.2352% (0.23   0.02   0.02) =   0.004%
          QD1   ILE   19 - HN    ILE  119  17.97 +/- 2.71   0.588% *  0.0721% (0.07   0.02   0.02) =   0.002%
    Distance limit 4.53 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1170 (0.57, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.533, support = 4.35, residual support = 6.83:
          QD1   LEU   73 - HN    CYS   21   4.38 +/- 2.00  27.760% * 57.1979% (0.53   4.94   8.03) =  76.469%  kept
          QD2   LEU   63 - HN    CYS   21  11.45 +/- 2.99   9.473% * 22.4314% (1.00   1.02   0.24) =  10.233%  kept
          QD2   LEU  115 - HN    ILE  119   4.14 +/- 0.87  22.206% *  8.0049% (0.07   5.17   7.75) =   8.561%  kept
          QG2   VAL   41 - HN    CYS   21   9.49 +/- 3.09   8.192% *  7.7381% (0.65   0.54   0.02) =   3.053%  kept
          QD1   LEU   63 - HN    ILE  119   7.55 +/- 2.94   9.360% *  3.3614% (0.17   0.92   0.02) =   1.515%  kept
          QD1   LEU   80 - HN    CYS   21  10.90 +/- 4.96   6.091% *  0.1974% (0.45   0.02   0.02) =   0.058%
          QD1   LEU   63 - HN    CYS   21  11.28 +/- 2.45   3.349% *  0.2317% (0.53   0.02   0.24) =   0.037%
          QD2   LEU   63 - HN    ILE  119   8.20 +/- 2.69   4.811% *  0.1389% (0.32   0.02   0.02) =   0.032%
          QD2   LEU   80 - HN    CYS   21  10.51 +/- 4.23   4.598% *  0.0872% (0.20   0.02   0.02) =   0.019%
          QD2   LEU   98 - HN    CYS   21  12.25 +/- 2.78   1.146% *  0.1974% (0.45   0.02   0.02) =   0.011%
          QD1   LEU   73 - HN    ILE  119  15.39 +/- 3.87   0.898% *  0.0732% (0.17   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    CYS   21  15.81 +/- 2.94   0.466% *  0.0980% (0.22   0.02   0.02) =   0.002%
          QG2   VAL   41 - HN    ILE  119  15.25 +/- 2.55   0.467% *  0.0900% (0.20   0.02   0.02) =   0.002%
          QD2   LEU   98 - HN    ILE  119  15.67 +/- 2.88   0.503% *  0.0624% (0.14   0.02   0.02) =   0.002%
          QD1   LEU   80 - HN    ILE  119  19.80 +/- 3.18   0.348% *  0.0624% (0.14   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    ILE  119  19.92 +/- 3.25   0.332% *  0.0275% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1172 (8.16, 7.92, 121.27 ppm):
    10 chemical-shift based assignments, quality = 0.306, support = 5.51, residual support = 57.2:
          HN    THR  118 - HN    ILE  119   2.51 +/- 0.12  79.489% * 49.8900% (0.28   5.88  62.44) =  88.917%  kept
          HN    GLN  116 - HN    ILE  119   4.87 +/- 0.25  11.162% * 42.9385% (0.53   2.67  15.31) =  10.746%  kept
          HN    GLU- 114 - HN    ILE  119   8.24 +/- 0.34   2.326% *  5.3770% (0.95   0.19   0.12) =   0.280%  kept
          HN    PHE   60 - HN    ILE  119   8.54 +/- 1.05   2.489% *  0.6704% (0.14   0.16   0.02) =   0.037%
          HN    LEU   71 - HN    CYS   21  11.71 +/- 2.44   3.196% *  0.1825% (0.30   0.02   0.02) =   0.013%
          HN    LEU   71 - HN    ILE  119  17.47 +/- 2.66   0.316% *  0.5777% (0.95   0.02   0.02) =   0.004%
          HN    GLU- 114 - HN    CYS   21  23.70 +/- 3.50   0.123% *  0.1825% (0.30   0.02   0.02) =   0.001%
          HN    GLN  116 - HN    CYS   21  21.47 +/- 3.46   0.185% *  0.1015% (0.17   0.02   0.02) =   0.000%
          HN    THR  118 - HN    CYS   21  20.47 +/- 3.82   0.253% *  0.0537% (0.09   0.02   0.02) =   0.000%
          HN    PHE   60 - HN    CYS   21  15.00 +/- 2.34   0.461% *  0.0261% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1173 (7.23, 7.92, 121.27 ppm):
    8 chemical-shift based assignments, quality = 0.611, support = 2.59, residual support = 21.7:
          HN    HIS  122 - HN    ILE  119   5.29 +/- 0.11  19.836% * 73.4736% (1.00   2.21  19.12) =  49.838%  kept
          QE    PHE   59 - HN    ILE  119   3.35 +/- 0.59  64.988% * 22.2214% (0.22   3.00  24.22) =  49.383%  kept
          HN    PHE   59 - HN    ILE  119   7.97 +/- 0.85   6.948% *  3.0557% (0.57   0.16  24.22) =   0.726%  kept
          HH2   TRP   87 - HN    CYS   21  14.38 +/- 4.29   4.268% *  0.2098% (0.32   0.02   0.02) =   0.031%
          HH2   TRP   87 - HN    ILE  119  21.95 +/- 2.75   0.370% *  0.6639% (1.00   0.02   0.02) =   0.008%
          HN    HIS  122 - HN    CYS   21  19.96 +/- 4.40   1.124% *  0.2098% (0.32   0.02   0.02) =   0.008%
          HN    PHE   59 - HN    CYS   21  16.91 +/- 2.55   0.811% *  0.1190% (0.18   0.02   0.02) =   0.003%
          QE    PHE   59 - HN    CYS   21  16.01 +/- 3.25   1.656% *  0.0468% (0.07   0.02   0.02) =   0.003%
    Distance limit 4.20 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1174 (8.71, 7.93, 121.01 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.27, residual support = 16.1:
          HN    ALA   20 - HN    CYS   21   4.19 +/- 0.15  98.012% * 99.8072% (0.95   3.27  16.08) =  99.996%  kept
          HN    ALA   20 - HN    ILE  119  20.21 +/- 3.85   1.988% *  0.1928% (0.30   0.02   0.02) =   0.004%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1175 (7.42, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 5.77, residual support = 52.1:
        T HN    ALA  120 - HN    ILE  119   2.67 +/- 0.15  79.677% * 94.7525% (1.00 10.00   5.81  52.40) =  99.150%  kept
          HE21  GLN  116 - HN    ILE  119   5.92 +/- 1.18  13.531% *  4.7559% (0.80  1.00   1.25  15.31) =   0.845%  kept
        T HN    ALA  120 - HN    CYS   21  21.16 +/- 4.36   0.589% *  0.2994% (0.32 10.00   0.02   0.02) =   0.002%
          HN    ALA   57 - HN    ILE  119   9.92 +/- 1.13   1.867% *  0.0688% (0.73  1.00   0.02   0.02) =   0.002%
          HN    ALA  124 - HN    ILE  119  10.67 +/- 0.23   1.281% *  0.0236% (0.25  1.00   0.02   0.02) =   0.000%
          HE21  GLN  116 - HN    CYS   21  22.68 +/- 5.04   0.475% *  0.0240% (0.25  1.00   0.02   0.02) =   0.000%
          HN    ALA   57 - HN    CYS   21  18.02 +/- 2.90   0.358% *  0.0217% (0.23  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    CYS   21  12.13 +/- 1.86   1.196% *  0.0052% (0.06  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    ILE  119  21.98 +/- 4.77   0.333% *  0.0166% (0.18  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE  119  23.10 +/- 3.02   0.147% *  0.0188% (0.20  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    CYS   21  23.83 +/- 5.12   0.288% *  0.0075% (0.08  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    CYS   21  21.03 +/- 3.63   0.259% *  0.0059% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1176 (3.87, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.76, residual support = 62.4:
          HB    THR  118 - HN    ILE  119   3.15 +/- 0.25  90.708% * 98.2009% (0.98   5.76  62.44) =  99.987%  kept
          HB    THR   39 - HN    ILE  119  20.93 +/- 3.94   0.710% *  0.2658% (0.76   0.02   0.02) =   0.002%
          HB    THR   39 - HN    CYS   21  13.60 +/- 3.55   2.117% *  0.0840% (0.24   0.02   0.02) =   0.002%
          HA    ILE   89 - HN    ILE  119  18.67 +/- 2.61   0.513% *  0.3119% (0.90   0.02   0.02) =   0.002%
          HB3   SER   37 - HN    ILE  119  23.86 +/- 3.85   0.433% *  0.3119% (0.90   0.02   0.02) =   0.002%
          HB3   SER   37 - HN    CYS   21  14.95 +/- 2.79   1.294% *  0.0986% (0.28   0.02   0.02) =   0.001%
          QB    SER   13 - HN    CYS   21  14.27 +/- 2.44   1.419% *  0.0798% (0.23   0.02   0.02) =   0.001%
          HB    THR  118 - HN    CYS   21  19.06 +/- 3.56   0.739% *  0.1077% (0.31   0.02   0.02) =   0.001%
          QB    SER   13 - HN    ILE  119  25.82 +/- 4.10   0.267% *  0.2526% (0.73   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    CYS   21  17.72 +/- 2.17   0.615% *  0.0986% (0.28   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    CYS   21  16.81 +/- 3.57   0.987% *  0.0452% (0.13   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    ILE  119  26.57 +/- 2.26   0.198% *  0.1430% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1178 (2.26, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.897, support = 8.61, residual support = 269.4:
          HG12  ILE  119 - HN    ILE  119   2.38 +/- 0.37  82.946% * 97.9295% (0.90   8.61 269.49) =  99.982%  kept
          HB3   PHE   72 - HN    ILE  119  15.52 +/- 3.35   1.241% *  0.2447% (0.97   0.02   0.02) =   0.004%
          HB2   ASP-  44 - HN    ILE  119  12.92 +/- 2.44   1.159% *  0.2274% (0.90   0.02   0.02) =   0.003%
          HB3   PHE   72 - HN    CYS   21   9.05 +/- 1.24   2.076% *  0.0773% (0.30   0.02   0.02) =   0.002%
          HB2   ASP- 105 - HN    ILE  119  11.35 +/- 5.99   4.395% *  0.0343% (0.14   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HN    CYS   21  11.07 +/- 2.10   1.956% *  0.0718% (0.28   0.02   0.02) =   0.002%
          QG    GLU-  14 - HN    CYS   21  12.39 +/- 2.56   1.141% *  0.0739% (0.29   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    CYS   21   9.70 +/- 1.06   1.607% *  0.0421% (0.17   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    ILE  119  19.36 +/- 2.46   0.198% *  0.2513% (0.99   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    CYS   21  12.43 +/- 1.62   0.769% *  0.0641% (0.25   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    ILE  119  23.77 +/- 3.84   0.206% *  0.2340% (0.92   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    ILE  119  17.38 +/- 3.19   0.362% *  0.1042% (0.41   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYS   21  17.63 +/- 2.89   0.455% *  0.0794% (0.31   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ILE  119  22.47 +/- 3.21   0.174% *  0.2030% (0.80   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    CYS   21  18.65 +/- 3.13   0.314% *  0.0718% (0.28   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ILE  119  26.26 +/- 3.29   0.086% *  0.1334% (0.53   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   21  18.69 +/- 3.06   0.309% *  0.0273% (0.11   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ILE  119  29.87 +/- 4.19   0.088% *  0.0865% (0.34   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    CYS   21  20.40 +/- 2.78   0.181% *  0.0329% (0.13   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    CYS   21  19.19 +/- 4.19   0.337% *  0.0108% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1179 (2.04, 7.92, 121.27 ppm):
    24 chemical-shift based assignments, quality = 0.923, support = 7.57, residual support = 269.5:
      O   HB    ILE  119 - HN    ILE  119   2.38 +/- 0.20  75.900% * 99.0354% (0.92  10.0   7.57 269.49) =  99.989%  kept
          HG3   GLN   30 - HN    CYS   21   6.04 +/- 1.60  10.859% *  0.0336% (0.31   1.0   0.02   0.02) =   0.005%
          HB2   GLN   30 - HN    CYS   21   6.76 +/- 1.18   5.196% *  0.0313% (0.29   1.0   0.02   0.02) =   0.002%
          HB2   PRO   93 - HN    ILE  119  12.63 +/- 3.07   1.211% *  0.0366% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    ILE  119  11.25 +/- 1.59   0.851% *  0.0441% (0.41   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ILE  119  14.14 +/- 3.05   0.449% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ILE  119  14.95 +/- 2.38   0.457% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE  119  17.97 +/- 4.00   0.267% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ILE  119  21.75 +/- 2.78   0.133% *  0.0990% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ILE  119  22.36 +/- 3.12   0.123% *  0.1063% (0.99   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    CYS   21  20.18 +/- 3.77   0.338% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ILE  119  23.59 +/- 4.29   0.093% *  0.1035% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    CYS   21  17.42 +/- 2.92   0.388% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ILE  119  20.95 +/- 4.43   0.261% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    CYS   21  11.03 +/- 0.57   0.818% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    CYS   21  12.70 +/- 1.16   0.622% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    CYS   21  19.35 +/- 3.81   0.217% *  0.0327% (0.30   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    CYS   21  10.53 +/- 0.64   0.960% *  0.0067% (0.06   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE  119  22.57 +/- 3.56   0.118% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    CYS   21  21.32 +/- 3.89   0.196% *  0.0219% (0.20   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    CYS   21  21.61 +/- 2.93   0.133% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    CYS   21  18.11 +/- 2.48   0.242% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE  119  26.92 +/- 4.31   0.080% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    CYS   21  24.90 +/- 2.81   0.088% *  0.0139% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.12, 7.92, 121.27 ppm):
    14 chemical-shift based assignments, quality = 0.927, support = 7.8, residual support = 248.9:
          HG13  ILE  119 - HN    ILE  119   3.14 +/- 0.67  40.520% * 85.9201% (0.99   8.18 269.49) =  91.975%  kept
          QB    ALA   20 - HN    CYS   21   3.54 +/- 0.21  29.718% *  7.8331% (0.19   3.86  16.08) =   6.150%  kept
          QG1   VAL  107 - HN    ILE  119   6.97 +/- 4.10  17.368% *  3.6149% (0.20   1.72   0.02) =   1.659%  kept
          HG2   LYS+ 121 - HN    ILE  119   7.55 +/- 0.76   4.183% *  1.8242% (0.25   0.69   8.33) =   0.202%  kept
          HD3   LYS+ 112 - HN    ILE  119   9.92 +/- 1.40   1.369% *  0.1285% (0.61   0.02   0.02) =   0.005%
          QG1   VAL   24 - HN    CYS   21   8.14 +/- 1.11   3.408% *  0.0326% (0.15   0.02   0.02) =   0.003%
          QB    ALA   20 - HN    ILE  119  16.31 +/- 4.06   0.691% *  0.1285% (0.61   0.02   0.02) =   0.002%
          HB3   LEU   31 - HN    CYS   21  11.87 +/- 1.22   0.912% *  0.0668% (0.32   0.02   0.02) =   0.002%
          QG1   VAL   24 - HN    ILE  119  19.68 +/- 4.27   0.406% *  0.1031% (0.49   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    ILE  119  22.11 +/- 3.53   0.186% *  0.2114% (1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HN    CYS   21  18.25 +/- 3.21   0.300% *  0.0663% (0.31   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    CYS   21  21.10 +/- 5.19   0.402% *  0.0167% (0.08   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    CYS   21  16.52 +/- 2.44   0.407% *  0.0132% (0.06   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  23.49 +/- 4.19   0.127% *  0.0406% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1181 (0.99, 7.92, 121.27 ppm):
    14 chemical-shift based assignments, quality = 0.575, support = 0.02, residual support = 1.29:
          HG3   LYS+  74 - HN    CYS   21   6.78 +/- 2.03  23.854% *  3.7747% (0.23   0.02   7.87) =  15.844%  kept
          QD1   LEU   67 - HN    ILE  119  12.51 +/- 2.81   5.689% * 15.1858% (0.92   0.02   0.02) =  15.203%  kept
          QD2   LEU   40 - HN    ILE  119  13.20 +/- 3.55   4.840% * 15.5616% (0.95   0.02   0.02) =  13.253%  kept
          QG2   ILE  103 - HN    ILE  119  13.30 +/- 3.57   4.567% * 13.7407% (0.84   0.02   0.02) =  11.043%  kept
          QD1   LEU   67 - HN    CYS   21   9.78 +/- 1.90  10.193% *  4.7985% (0.29   0.02   0.02) =   8.607%  kept
          HG3   LYS+  74 - HN    ILE  119  16.34 +/- 4.12   4.089% * 11.9456% (0.73   0.02   0.02) =   8.595%  kept
          HB    VAL   75 - HN    CYS   21   8.45 +/- 0.83  11.365% *  3.9726% (0.24   0.02   0.29) =   7.945%  kept
          HB    VAL   75 - HN    ILE  119  15.78 +/- 2.67   2.692% * 12.5720% (0.76   0.02   0.02) =   5.956%  kept
          QD2   LEU   40 - HN    CYS   21  12.13 +/- 2.33   5.844% *  4.9173% (0.30   0.02   0.02) =   5.057%  kept
          QD2   LEU   71 - HN    CYS   21   9.21 +/- 2.05  12.648% *  1.2962% (0.08   0.02   0.02) =   2.885%  kept
          QG2   ILE  103 - HN    CYS   21  15.19 +/- 3.60   2.618% *  4.3419% (0.26   0.02   0.02) =   2.000%  kept
          QD2   LEU   71 - HN    ILE  119  15.77 +/- 2.26   1.719% *  4.1020% (0.25   0.02   0.02) =   1.241%  kept
          QD1   ILE  103 - HN    CYS   21  14.76 +/- 3.75   7.610% *  0.9104% (0.06   0.02   0.02) =   1.219%  kept
          QD1   ILE  103 - HN    ILE  119  15.73 +/- 3.03   2.271% *  2.8810% (0.18   0.02   0.02) =   1.151%  kept
    Distance limit 3.61 A violated in 16 structures by 1.84 A, eliminated.
    Peak unassigned.
 
    Peak 1182 (0.21, 7.92, 121.27 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 6.98, residual support = 62.4:
          QG2   THR  118 - HN    ILE  119   3.24 +/- 0.41  97.698% * 99.9095% (0.57   6.98  62.44) =  99.998%  kept
          QG2   THR  118 - HN    CYS   21  14.94 +/- 2.99   2.302% *  0.0905% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1183 (1.46, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.778, support = 3.75, residual support = 43.9:
          QB    ALA  120 - HN    ILE  119   4.22 +/- 0.12  29.146% * 66.9524% (0.80   4.39  52.40) =  81.005%  kept
          HB3   LEU  115 - HN    ILE  119   6.12 +/- 0.94  12.766% * 14.3403% (0.95   0.80   7.75) =   7.599%  kept
          HG    LEU  115 - HN    ILE  119   5.77 +/- 0.88  13.573% * 11.0597% (0.80   0.73   7.75) =   6.231%  kept
          HG    LEU   73 - HN    CYS   21   5.59 +/- 2.81  24.569% *  4.9418% (0.15   1.69   8.03) =   5.040%  kept
          HG    LEU   40 - HN    CYS   21  13.98 +/- 3.00   1.413% *  0.5262% (0.30   0.09   0.02) =   0.031%
          QB    ALA  120 - HN    CYS   21  19.13 +/- 4.34   3.809% *  0.0964% (0.25   0.02   0.02) =   0.015%
          HG    LEU   67 - HN    ILE  119  15.19 +/- 3.17   0.859% *  0.3776% (0.99   0.02   0.02) =   0.013%
          HG    LEU   40 - HN    ILE  119  16.10 +/- 4.12   0.879% *  0.3604% (0.95   0.02   0.02) =   0.013%
          QG    LYS+  66 - HN    ILE  119  12.53 +/- 3.50   2.231% *  0.1176% (0.31   0.02   0.02) =   0.011%
          HG    LEU   73 - HN    ILE  119  17.80 +/- 4.05   1.171% *  0.1854% (0.49   0.02   0.02) =   0.009%
          HB3   LEU   40 - HN    CYS   21  14.58 +/- 3.58   2.512% *  0.0681% (0.18   0.02   0.02) =   0.007%
          HG    LEU   67 - HN    CYS   21  13.22 +/- 2.52   1.233% *  0.1193% (0.31   0.02   0.02) =   0.006%
          HB3   LEU   40 - HN    ILE  119  17.32 +/- 4.35   0.667% *  0.2157% (0.57   0.02   0.02) =   0.006%
          HB3   LEU   67 - HN    ILE  119  15.36 +/- 3.34   0.814% *  0.0667% (0.18   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ILE  119  22.75 +/- 3.53   0.222% *  0.2311% (0.61   0.02   0.02) =   0.002%
          HB3   LEU  115 - HN    CYS   21  19.64 +/- 3.31   0.440% *  0.1139% (0.30   0.02   0.02) =   0.002%
          HG    LEU  115 - HN    CYS   21  19.25 +/- 2.88   0.444% *  0.0964% (0.25   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    CYS   21  12.41 +/- 2.35   1.872% *  0.0211% (0.06   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    CYS   21  14.10 +/- 1.78   1.030% *  0.0372% (0.10   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    CYS   21  21.16 +/- 3.89   0.350% *  0.0730% (0.19   0.02   0.02) =   0.001%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1184 (0.13, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.988, support = 0.409, residual support = 0.268:
          QG2   VAL   75 - HN    CYS   21   6.96 +/- 1.12  47.953% * 81.4245% (1.00   0.44   0.29) =  91.741%  kept
          QG2   VAL   42 - HN    CYS   21  10.60 +/- 2.14  19.311% * 16.2869% (0.95   0.09   0.02) =   7.390%  kept
          QG2   VAL   42 - HN    ILE  119  11.03 +/- 3.30  24.344% *  1.1138% (0.30   0.02   0.02) =   0.637%  kept
          QG2   VAL   75 - HN    ILE  119  14.34 +/- 2.32   8.392% *  1.1748% (0.32   0.02   0.02) =   0.232%  kept
    Distance limit 4.52 A violated in 13 structures by 1.83 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 1185 (1.15, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.73, residual support = 15.2:
      O   QB    ALA   20 - HN    ALA   20   2.16 +/- 0.13  97.683% * 99.6430% (0.84  10.0   3.73  15.21) =  99.998%  kept
          QG2   VAL  107 - HN    ALA   20  17.01 +/- 3.41   0.651% *  0.1070% (0.90   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    ALA   20  21.17 +/- 5.46   0.557% *  0.1190% (1.00   1.0   0.02   0.02) =   0.001%
          HG13  ILE  103 - HN    ALA   20  19.07 +/- 3.90   0.328% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ALA   20  13.55 +/- 1.33   0.452% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ALA   20  18.64 +/- 3.33   0.328% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1186 (0.69, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.65, residual support = 25.4:
          QG2   ILE   19 - HN    ALA   20   2.98 +/- 0.52  97.986% * 99.7530% (0.99   3.65  25.44) =  99.995%  kept
          QD1   LEU   98 - HN    ALA   20  14.74 +/- 2.85   2.014% *  0.2470% (0.45   0.02   0.02) =   0.005%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1187 (2.00, 8.93, 131.32 ppm):
    10 chemical-shift based assignments, quality = 0.964, support = 5.91, residual support = 169.6:
      O   HB    ILE   19 - HN    ILE   19   2.66 +/- 0.42  80.418% * 94.5987% (0.97  10.0   5.94 170.53) =  99.481%  kept
          HB2   GLN   17 - HN    ILE   19   6.29 +/- 0.58   7.932% *  4.9061% (0.73   1.0   1.38   0.02) =   0.509%  kept
          QB    GLU-  15 - HN    ILE   19   8.45 +/- 1.00   7.778% *  0.0712% (0.73   1.0   0.02   0.02) =   0.007%
          HG2   PRO   68 - HN    ILE   19  14.30 +/- 2.98   0.909% *  0.0905% (0.92   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    ILE   19  14.69 +/- 1.30   0.649% *  0.0879% (0.90   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    ILE   19  14.43 +/- 3.47   1.319% *  0.0334% (0.34   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    ILE   19  20.55 +/- 3.56   0.291% *  0.0972% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE   19  24.96 +/- 3.19   0.133% *  0.0634% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    ILE   19  19.45 +/- 2.81   0.291% *  0.0273% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    ILE   19  20.13 +/- 3.11   0.280% *  0.0244% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1188 (1.43, 8.93, 131.32 ppm):
    14 chemical-shift based assignments, quality = 0.732, support = 5.66, residual support = 142.7:
          HG12  ILE   19 - HN    ILE   19   3.20 +/- 0.74  51.705% * 62.6095% (0.73   6.25 170.53) =  83.149%  kept
          HG    LEU   73 - HN    ILE   19   6.62 +/- 3.65  19.472% * 31.6952% (0.80   2.87   5.31) =  15.852%  kept
          HB3   LYS+  74 - HN    ILE   19   7.04 +/- 2.20   9.150% *  3.8790% (0.18   1.60   8.22) =   0.912%  kept
          QB    ALA   61 - HN    ILE   19  10.55 +/- 3.16   4.414% *  0.2664% (0.97   0.02   0.02) =   0.030%
          HB3   LEU   67 - HN    ILE   19   9.83 +/- 3.08   2.792% *  0.2760% (1.00   0.02   0.02) =   0.020%
          HG    LEU   40 - HN    ILE   19  11.46 +/- 3.65   5.581% *  0.0852% (0.31   0.02   0.02) =   0.012%
          QG    LYS+  66 - HN    ILE   19  12.50 +/- 1.85   1.123% *  0.2611% (0.95   0.02   0.02) =   0.008%
          HG    LEU   80 - HN    ILE   19  15.57 +/- 4.48   1.009% *  0.2305% (0.84   0.02   0.02) =   0.006%
          HG    LEU   67 - HN    ILE   19  10.82 +/- 3.16   2.134% *  0.0615% (0.22   0.02   0.02) =   0.003%
          HG2   LYS+ 102 - HN    ILE   19  20.39 +/- 3.54   0.488% *  0.1896% (0.69   0.02   0.02) =   0.002%
          HB2   LEU   80 - HN    ILE   19  15.46 +/- 3.37   0.824% *  0.0852% (0.31   0.02   0.02) =   0.002%
          QB    ALA  110 - HN    ILE   19  19.75 +/- 2.63   0.316% *  0.2210% (0.80   0.02   0.02) =   0.002%
          HB3   LEU  115 - HN    ILE   19  19.66 +/- 3.02   0.388% *  0.0852% (0.31   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    ILE   19  18.86 +/- 4.43   0.603% *  0.0546% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.88 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1189 (1.24, 8.93, 131.32 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.78, residual support = 165.8:
          HG13  ILE   19 - HN    ILE   19   2.95 +/- 0.89  53.190% * 81.8137% (0.97   5.94 170.53) =  97.124%  kept
          HG2   LYS+  74 - HN    ILE   19   8.38 +/- 2.76   9.549% *  9.0154% (0.99   0.64   8.22) =   1.921%  kept
          HG    LEU   71 - HN    ILE   19   8.43 +/- 3.58   4.720% *  8.0711% (0.98   0.58   0.72) =   0.850%  kept
          HG3   LYS+  99 - HN    ILE   19  16.29 +/- 4.56   8.305% *  0.2849% (1.00   0.02   0.02) =   0.053%
          QG2   THR   39 - HN    ILE   19   8.87 +/- 3.38   7.687% *  0.1961% (0.69   0.02   0.02) =   0.034%
          QB    ALA   34 - HN    ILE   19   7.74 +/- 1.92  14.229% *  0.0386% (0.14   0.02   0.02) =   0.012%
          HG3   LYS+  38 - HN    ILE   19  15.09 +/- 2.75   0.854% *  0.1174% (0.41   0.02   0.02) =   0.002%
          QB    ALA   91 - HN    ILE   19  18.59 +/- 2.52   0.332% *  0.1961% (0.69   0.02   0.02) =   0.001%
          HG12  ILE   89 - HN    ILE   19  17.92 +/- 3.04   0.569% *  0.1072% (0.38   0.02   0.02) =   0.001%
          QG2   ILE   56 - HN    ILE   19  16.55 +/- 2.21   0.441% *  0.0712% (0.25   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    ILE   19  25.57 +/- 3.17   0.123% *  0.0881% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1190 (0.84, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.355, support = 4.64, residual support = 21.6:
          QG1   VAL   18 - HN    ILE   19   3.13 +/- 0.64  74.902% * 70.3565% (0.34   4.86  22.77) =  94.856%  kept
          QD1   LEU   71 - HN    ILE   19   7.86 +/- 3.25  14.038% * 13.7255% (0.69   0.47   0.72) =   3.468%  kept
          QG1   VAL   70 - HN    ILE   19   8.84 +/- 2.20   6.340% * 14.2544% (0.45   0.75   0.13) =   1.627%  kept
          HB3   LEU  104 - HN    ILE   19  17.68 +/- 4.11   1.684% *  0.8189% (0.97   0.02   0.02) =   0.025%
          QD1   LEU  123 - HN    ILE   19  16.45 +/- 3.52   1.691% *  0.5829% (0.69   0.02   0.02) =   0.018%
          QD2   LEU  123 - HN    ILE   19  18.12 +/- 3.37   1.344% *  0.2619% (0.31   0.02   0.02) =   0.006%
    Distance limit 3.53 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1191 (0.75, 8.93, 131.32 ppm):
    8 chemical-shift based assignments, quality = 0.792, support = 4.91, residual support = 75.6:
          QG2   VAL   18 - HN    ILE   19   3.61 +/- 0.74  33.362% * 56.8587% (0.97   4.81  22.77) =  60.016%  kept
          QD1   ILE   19 - HN    ILE   19   3.61 +/- 0.83  30.625% * 37.3762% (0.57   5.39 170.53) =  36.216%  kept
          QD2   LEU   73 - HN    ILE   19   5.48 +/- 2.98  23.822% *  4.8987% (0.22   1.80   5.31) =   3.692%  kept
          QG1   VAL   41 - HN    ILE   19   8.13 +/- 2.88   6.365% *  0.2197% (0.90   0.02   0.02) =   0.044%
          QG1   VAL   43 - HN    ILE   19  10.46 +/- 2.51   2.125% *  0.2428% (0.99   0.02   0.02) =   0.016%
          QG2   THR   46 - HN    ILE   19  12.73 +/- 2.83   1.131% *  0.2197% (0.90   0.02   0.02) =   0.008%
          HG    LEU   31 - HN    ILE   19  10.26 +/- 1.87   1.788% *  0.0836% (0.34   0.02   0.02) =   0.005%
          QD2   LEU  104 - HN    ILE   19  14.15 +/- 2.97   0.782% *  0.1007% (0.41   0.02   0.02) =   0.002%
    Distance limit 3.55 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1192 (1.43, 8.71, 131.46 ppm):
    14 chemical-shift based assignments, quality = 0.715, support = 4.26, residual support = 22.7:
          HG12  ILE   19 - HN    ALA   20   5.07 +/- 0.71  32.886% * 78.5501% (0.73   4.72  25.44) =  88.299%  kept
          HG    LEU   73 - HN    ALA   20   7.62 +/- 3.04  17.008% * 14.4976% (0.80   0.79   0.02) =   8.428%  kept
          HB3   LYS+  74 - HN    ALA   20   6.53 +/- 1.95  22.173% *  3.9337% (0.18   0.98   6.49) =   2.981%  kept
          QB    ALA   61 - HN    ALA   20  10.75 +/- 2.88   7.110% *  0.4427% (0.97   0.02   0.02) =   0.108%  kept
          HB3   LEU   67 - HN    ALA   20  11.86 +/- 2.88   4.280% *  0.4587% (1.00   0.02   0.02) =   0.067%
          QG    LYS+  66 - HN    ALA   20  13.50 +/- 1.41   2.189% *  0.4339% (0.95   0.02   0.02) =   0.032%
          HG    LEU   80 - HN    ALA   20  15.02 +/- 4.01   2.036% *  0.3832% (0.84   0.02   0.02) =   0.027%
          HG    LEU   67 - HN    ALA   20  12.86 +/- 2.95   3.576% *  0.1021% (0.22   0.02   0.02) =   0.012%
          HD3   LYS+ 121 - HN    ALA   20  19.97 +/- 5.48   3.086% *  0.0908% (0.20   0.02   0.02) =   0.010%
          HG    LEU   40 - HN    ALA   20  14.42 +/- 3.11   1.874% *  0.1416% (0.31   0.02   0.02) =   0.009%
          HB2   LEU   80 - HN    ALA   20  15.03 +/- 3.03   1.869% *  0.1416% (0.31   0.02   0.02) =   0.009%
          HG2   LYS+ 102 - HN    ALA   20  22.37 +/- 4.09   0.692% *  0.3151% (0.69   0.02   0.02) =   0.007%
          QB    ALA  110 - HN    ALA   20  20.53 +/- 2.29   0.539% *  0.3673% (0.80   0.02   0.02) =   0.007%
          HB3   LEU  115 - HN    ALA   20  20.58 +/- 3.69   0.684% *  0.1416% (0.31   0.02   0.02) =   0.003%
    Distance limit 4.83 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1193 (1.43, 7.93, 121.01 ppm):
    28 chemical-shift based assignments, quality = 0.635, support = 2.03, residual support = 6.51:
          HG    LEU   73 - HN    CYS   21   5.59 +/- 2.81  23.357% * 35.7013% (0.80   1.69   8.03) =  56.912%  kept
          HB3   LYS+  74 - HN    CYS   21   5.21 +/- 1.71  22.631% * 13.8776% (0.18   3.00   7.87) =  21.435%  kept
          HG12  ILE   19 - HN    CYS   21   6.93 +/- 0.39   6.619% * 41.8597% (0.73   2.18   0.43) =  18.910%  kept
          HB3   LEU  115 - HN    ILE  119   6.12 +/- 0.94  12.487% *  2.0517% (0.10   0.80   7.75) =   1.749%  kept
          HD3   LYS+ 121 - HN    ILE  119   7.61 +/- 0.71   4.933% *  1.1416% (0.06   0.69   8.33) =   0.384%  kept
          QB    ALA   61 - HN    CYS   21  10.35 +/- 2.19   4.084% *  0.5102% (0.97   0.02   0.02) =   0.142%  kept
          HG    LEU   80 - HN    CYS   21  12.76 +/- 4.82   3.520% *  0.4415% (0.84   0.02   0.02) =   0.106%  kept
          HG    LEU   40 - HN    CYS   21  13.98 +/- 3.00   1.798% *  0.7539% (0.31   0.09   0.02) =   0.093%
          HB3   LEU   67 - HN    CYS   21  12.41 +/- 2.35   2.046% *  0.5286% (1.00   0.02   0.02) =   0.074%
          QG    LYS+  66 - HN    CYS   21  14.10 +/- 1.78   1.022% *  0.5001% (0.95   0.02   0.02) =   0.035%
          HB2   LEU   80 - HN    CYS   21  12.73 +/- 3.83   2.242% *  0.1632% (0.31   0.02   0.02) =   0.025%
          QB    ALA   61 - HN    ILE  119  10.39 +/- 0.80   1.893% *  0.1612% (0.30   0.02   0.02) =   0.021%
          QG    LYS+  66 - HN    ILE  119  12.53 +/- 3.50   1.877% *  0.1580% (0.30   0.02   0.02) =   0.020%
          QB    ALA  110 - HN    ILE  119  10.90 +/- 1.58   1.907% *  0.1338% (0.25   0.02   0.02) =   0.017%
          HG    LEU   73 - HN    ILE  119  17.80 +/- 4.05   1.352% *  0.1338% (0.25   0.02   0.02) =   0.012%
          HG    LEU   67 - HN    CYS   21  13.22 +/- 2.52   1.155% *  0.1177% (0.22   0.02   0.02) =   0.009%
          HB3   LEU   67 - HN    ILE  119  15.36 +/- 3.34   0.808% *  0.1670% (0.32   0.02   0.02) =   0.009%
          QB    ALA  110 - HN    CYS   21  19.36 +/- 1.76   0.310% *  0.4233% (0.80   0.02   0.02) =   0.009%
          HG2   LYS+ 102 - HN    CYS   21  21.16 +/- 3.89   0.337% *  0.3631% (0.69   0.02   0.02) =   0.008%
          HD3   LYS+ 121 - HN    CYS   21  19.81 +/- 5.18   1.131% *  0.1046% (0.20   0.02   0.02) =   0.008%
          HB3   LEU  115 - HN    CYS   21  19.64 +/- 3.31   0.458% *  0.1632% (0.31   0.02   0.02) =   0.005%
          HG    LEU   40 - HN    ILE  119  16.10 +/- 4.12   0.968% *  0.0516% (0.10   0.02   0.02) =   0.003%
          HG    LEU   80 - HN    ILE  119  23.75 +/- 3.86   0.287% *  0.1395% (0.26   0.02   0.02) =   0.003%
          HG    LEU   67 - HN    ILE  119  15.19 +/- 3.17   0.911% *  0.0372% (0.07   0.02   0.02) =   0.002%
          HG12  ILE   19 - HN    ILE  119  20.77 +/- 3.02   0.272% *  0.1213% (0.23   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HN    ILE  119  16.52 +/- 3.88   1.106% *  0.0293% (0.06   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ILE  119  22.75 +/- 3.53   0.228% *  0.1147% (0.22   0.02   0.02) =   0.002%
          HB2   LEU   80 - HN    ILE  119  22.72 +/- 3.20   0.258% *  0.0516% (0.10   0.02   0.02) =   0.001%
    Distance limit 4.06 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1194 (2.19, 7.45, 112.50 ppm):
    7 chemical-shift based assignments, quality = 0.485, support = 3.16, residual support = 84.9:
      O   QG    GLN   17 - HE21  GLN   17   2.39 +/- 0.36  96.199% * 99.5957% (0.48  10.0   3.16  84.92) =  99.997%  kept
          HB    VAL   70 - HE21  GLN   17  13.57 +/- 3.77   1.160% *  0.0879% (0.43   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HE21  GLN   17  17.75 +/- 4.52   0.552% *  0.1053% (0.51   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HE21  GLN   17  19.42 +/- 2.95   0.279% *  0.1161% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HE21  GLN   17  19.76 +/- 3.95   0.983% *  0.0323% (0.16   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HE21  GLN   17  18.07 +/- 3.26   0.439% *  0.0403% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HE21  GLN   17  26.60 +/- 5.88   0.388% *  0.0224% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1195 (8.26, 7.69, 115.83 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.53, residual support = 50.0:
        T HN    VAL   18 - HN    GLN   17   4.43 +/- 0.09  88.015% * 99.9055% (0.73 10.00   5.53  50.04) =  99.987%  kept
          HN    SER   13 - HN    GLN   17   9.76 +/- 1.24  11.985% *  0.0945% (0.69  1.00   0.02   0.02) =   0.013%
    Distance limit 4.35 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1196 (7.68, 8.27, 122.56 ppm):
    3 chemical-shift based assignments, quality = 0.891, support = 5.53, residual support = 50.0:
        T HN    GLN   17 - HN    VAL   18   4.43 +/- 0.09  85.799% * 99.7850% (0.89 10.00   5.53  50.04) =  99.982%  kept
          HD21  ASN   69 - HN    VAL   18  11.96 +/- 5.03  12.423% *  0.1079% (0.96  1.00   0.02   0.02) =   0.016%
          HN    TRP   87 - HN    VAL   18  20.67 +/- 3.78   1.778% *  0.1071% (0.96  1.00   0.02   0.02) =   0.002%
    Distance limit 4.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1197 (8.46, 8.93, 131.32 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.38, residual support = 8.21:
        T HN    LYS+  74 - HN    ILE   19   6.01 +/- 2.61  79.304% * 99.4791% (0.41 10.00   3.38   8.22) =  99.968%  kept
          HN    THR   46 - HN    ILE   19  15.39 +/- 3.34   7.026% *  0.2021% (0.84  1.00   0.02   0.02) =   0.018%
          HN    MET   92 - HN    ILE   19  21.58 +/- 3.42   2.992% *  0.2335% (0.97  1.00   0.02   0.02) =   0.009%
          HN    MET   11 - HN    ILE   19  18.87 +/- 2.58   7.918% *  0.0373% (0.15  1.00   0.02   0.02) =   0.004%
          HN    ASP- 113 - HN    ILE   19  24.70 +/- 3.61   2.760% *  0.0479% (0.20  1.00   0.02   0.02) =   0.002%
    Distance limit 4.54 A violated in 8 structures by 1.62 A, kept.
 
    Peak 1198 (8.11, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.85, support = 2.82, residual support = 2.77:
          HN    THR   26 - HN    VAL   24   4.37 +/- 0.18  67.425% * 94.0228% (0.87   2.88   2.73) =  97.432%  kept
          HN    LEU   80 - HN    VAL   24  11.04 +/- 6.20  29.804% *  5.5924% (0.20   0.75   4.33) =   2.562%  kept
          HN    CYS   53 - HN    VAL   24  21.67 +/- 3.74   0.771% *  0.2828% (0.38   0.02   0.02) =   0.003%
          HN    ALA   34 - HN    VAL   24  14.30 +/- 0.86   2.000% *  0.1020% (0.14   0.02   0.02) =   0.003%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1199 (7.33, 9.21, 123.27 ppm):
    7 chemical-shift based assignments, quality = 0.973, support = 4.33, residual support = 25.6:
          HN    THR   23 - HN    VAL   24   4.00 +/- 0.34  75.691% * 88.9565% (0.98   4.38  25.78) =  98.665%  kept
          HD2   HIS   22 - HN    VAL   24   8.75 +/- 0.76   8.166% *  6.1971% (0.22   1.34   0.02) =   0.742%  kept
          HE3   TRP   27 - HN    VAL   24   7.98 +/- 0.53  10.591% *  3.6624% (0.76   0.23  26.67) =   0.568%  kept
          QE    PHE   95 - HN    VAL   24  16.26 +/- 2.47   1.663% *  0.4112% (0.99   0.02   0.02) =   0.010%
          HN    LEU   67 - HN    VAL   24  18.50 +/- 3.72   2.291% *  0.2849% (0.69   0.02   0.02) =   0.010%
          QD    PHE   55 - HN    VAL   24  22.22 +/- 4.01   0.832% *  0.3465% (0.84   0.02   0.02) =   0.004%
          HD1   TRP   49 - HN    VAL   24  20.83 +/- 4.24   0.766% *  0.1415% (0.34   0.02   0.02) =   0.002%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1200 (10.58, 10.20, 129.00 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.75, residual support = 5.63:
          HE1   TRP   87 - HE1   TRP   27  10.52 +/- 6.93 100.000% *100.0000% (0.53   0.75   5.63) = 100.000%  kept
    Distance limit 4.12 A violated in 11 structures by 6.46 A, kept.
 
    Peak 1202 (8.08, 8.36, 120.50 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 4.76, residual support = 21.1:
        T HN    ALA   34 - HN    ASN   35   2.76 +/- 0.15  84.606% * 97.1605% (0.98 10.00   4.77  21.18) =  99.678%  kept
          HN    GLN   32 - HN    ASN   35   5.12 +/- 0.46  14.228% *  1.8329% (0.53  1.00   0.70   3.40) =   0.316%  kept
        T HN    LEU   80 - HN    ASN   35  21.00 +/- 4.95   0.453% *  0.9150% (0.92 10.00   0.02   0.02) =   0.005%
          HN    CYS   53 - HN    ASN   35  27.85 +/- 3.90   0.189% *  0.0720% (0.73  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    ASN   35  23.01 +/- 5.36   0.525% *  0.0196% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1203 (7.91, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.45, residual support = 19.0:
        T HN    SER   37 - HN    GLU-  36   2.57 +/- 0.15  98.293% * 99.7690% (0.98 10.00   4.45  18.97) =  99.999%  kept
          HN    ILE   89 - HN    GLU-  36  23.57 +/- 4.74   0.966% *  0.1009% (0.99  1.00   0.02   0.02) =   0.001%
          HN    CYS   21 - HN    GLU-  36  15.09 +/- 1.80   0.616% *  0.0418% (0.41  1.00   0.02   0.02) =   0.000%
          HN    ILE  119 - HN    GLU-  36  25.63 +/- 3.35   0.125% *  0.0883% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1204 (7.88, 7.75, 114.55 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.27, residual support = 23.0:
        T HN    LYS+  38 - HN    THR   39   2.73 +/- 0.12  97.007% * 99.8693% (1.00 10.00   5.27  22.99) =  99.999%  kept
          HN    LEU   31 - HN    THR   39   9.89 +/- 1.27   2.493% *  0.0278% (0.28  1.00   0.02   0.02) =   0.001%
          HN    ASP-  62 - HN    THR   39  18.62 +/- 2.09   0.352% *  0.0341% (0.34  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    THR   39  26.42 +/- 3.68   0.148% *  0.0688% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1205 (9.33, 9.16, 125.94 ppm):
    2 chemical-shift based assignments, quality = 0.763, support = 3.99, residual support = 15.3:
          HN    MET   96 - HN    VAL   43   4.40 +/- 2.60  75.101% * 99.3422% (0.76   4.00  15.29) =  99.781%  kept
          HN    PHE   72 - HN    VAL   43   8.77 +/- 1.79  24.899% *  0.6578% (0.22   0.09   0.02) =   0.219%  kept
    Distance limit 3.86 A violated in 2 structures by 0.47 A, kept.
 
    Peak 1206 (8.97, 8.78, 123.55 ppm):
    3 chemical-shift based assignments, quality = 0.376, support = 2.72, residual support = 2.05:
          HN    LEU   73 - HN    ASP-  44   6.76 +/- 1.88  41.686% * 66.9192% (0.38   3.39   2.88) =  62.124%  kept
          HN    VAL   42 - HN    ASP-  44   5.61 +/- 0.60  52.919% * 32.0327% (0.38   1.63   0.69) =  37.750%  kept
          HN    LYS+ 106 - HN    ASP-  44  12.75 +/- 1.96   5.395% *  1.0481% (1.00   0.02   0.02) =   0.126%  kept
    Distance limit 4.32 A violated in 0 structures by 0.70 A, kept.
 
    Peak 1207 (8.97, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 5.98, residual support = 36.8:
          HN    VAL   42 - HN    VAL   43   4.28 +/- 0.23  68.090% * 80.2989% (0.38   6.36  39.68) =  92.218%  kept
          HN    LEU   73 - HN    VAL   43   7.27 +/- 2.12  23.966% * 19.0292% (0.38   1.51   2.38) =   7.692%  kept
          HN    LYS+ 106 - HN    VAL   43  10.25 +/- 2.85   7.944% *  0.6718% (1.00   0.02   0.02) =   0.090%
    Distance limit 4.34 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1208 (7.58, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.839, support = 0.02, residual support = 0.02:
          HN    ALA   84 - HN    ASP-  44  11.69 +/- 2.07  26.262% * 23.7147% (1.00   0.02   0.02) =  32.412%  kept
          HN    LEU   63 - HN    ASP-  44   9.58 +/- 1.71  40.219% * 15.3753% (0.65   0.02   0.02) =  32.182%  kept
          HN    LYS+ 111 - HN    ASP-  44  14.82 +/- 2.05  11.794% * 23.7147% (1.00   0.02   0.02) =  14.556%  kept
          HN    ILE   56 - HN    ASP-  44  13.70 +/- 1.66  14.824% * 18.1638% (0.76   0.02   0.02) =  14.013%  kept
          HE21  GLN   32 - HN    ASP-  44  19.87 +/- 2.90   6.902% * 19.0315% (0.80   0.02   0.02) =   6.836%  kept
    Distance limit 4.31 A violated in 20 structures by 4.10 A, eliminated.
    Peak unassigned.
 
    Peak 1209 (7.26, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.514, support = 0.613, residual support = 1.66:
          QD    PHE   60 - HN    ASP-  44   6.75 +/- 2.13  47.980% * 45.3250% (0.41   0.75   2.23) =  74.317%  kept
          QE    PHE   59 - HN    ASP-  44  10.80 +/- 2.22  17.445% * 27.8111% (0.92   0.20   0.02) =  16.580%  kept
          HN    PHE   59 - HN    ASP-  44  12.02 +/- 2.03   9.355% * 23.7736% (0.57   0.29   0.02) =   7.600%  kept
          HN    LYS+  66 - HN    ASP-  44  11.67 +/- 1.95  14.912% *  2.6367% (0.90   0.02   0.02) =   1.344%  kept
          HN    LYS+  81 - HN    ASP-  44  13.42 +/- 2.63  10.309% *  0.4536% (0.15   0.02   0.02) =   0.160%  kept
    Distance limit 4.61 A violated in 12 structures by 1.53 A, kept.
 
    Peak 1210 (7.68, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.724, support = 0.02, residual support = 0.02:
          HD21  ASN   69 - HN    ASP-  62  13.47 +/- 1.77  47.644% * 36.0114% (0.77   0.02   0.02) =  51.322%  kept
          HN    GLN   17 - HN    ASP-  62  16.39 +/- 4.07  34.591% * 29.1578% (0.63   0.02   0.02) =  30.169%  kept
          HN    TRP   87 - HN    ASP-  62  20.17 +/- 2.63  17.765% * 34.8308% (0.75   0.02   0.02) =  18.509%  kept
    Distance limit 3.48 A violated in 20 structures by 8.57 A, eliminated.
    Peak unassigned.
 
    Peak 1211 (7.57, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.324, support = 5.8, residual support = 42.0:
        T HN    LEU   63 - HN    ASP-  62   2.65 +/- 0.16  96.474% * 75.7746% (0.32 10.00   5.84  42.32) =  99.199%  kept
        T HN    ILE   56 - HN    ASP-  62   9.36 +/- 0.86   2.485% * 23.6773% (0.42 10.00   0.48   0.02) =   0.798%  kept
          HN    LYS+ 111 - HN    ASP-  62  15.00 +/- 1.74   0.609% *  0.1751% (0.75  1.00   0.02   0.02) =   0.001%
          HN    ALA   84 - HN    ASP-  62  19.18 +/- 2.38   0.285% *  0.1751% (0.75  1.00   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ASP-  62  25.52 +/- 3.23   0.146% *  0.1979% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1212 (8.75, 8.95, 120.59 ppm):
    2 chemical-shift based assignments, quality = 0.935, support = 0.02, residual support = 0.02:
          HN    PHE   45 - HN    LEU   73  10.13 +/- 1.79  85.614% * 48.0011% (0.92   0.02   0.02) =  84.600%  kept
          HN    ALA  110 - HN    LEU   73  19.07 +/- 2.82  14.386% * 51.9989% (1.00   0.02   0.02) =  15.400%  kept
    Distance limit 4.07 A violated in 20 structures by 6.00 A, eliminated.
    Peak unassigned.
 
    Peak 1213 (8.51, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.488, support = 3.67, residual support = 16.3:
          HN    VAL   75 - HN    ASP-  76   4.37 +/- 0.16  61.390% * 40.6011% (0.28   4.64  26.32) =  53.184%  kept
          HN    ASP-  78 - HN    ASP-  76   5.26 +/- 0.45  37.218% * 58.9413% (0.73   2.58   4.86) =  46.808%  kept
          HN    LYS+ 112 - HN    ASP-  76  19.57 +/- 3.85   1.025% *  0.2825% (0.45   0.02   0.02) =   0.006%
          HN    MET   11 - HN    ASP-  76  26.93 +/- 4.54   0.367% *  0.1752% (0.28   0.02   0.02) =   0.001%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1214 (7.57, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 5.32, residual support = 28.7:
        T HN    LYS+ 111 - HN    LYS+ 112   4.31 +/- 0.21  82.621% * 97.6939% (0.87 10.00   5.34  28.75) =  99.654%  kept
          HN    ILE   56 - HN    LYS+ 112   9.34 +/- 2.40  13.508% *  2.0558% (0.49  1.00   0.75   7.93) =   0.343%  kept
          HN    LEU   63 - HN    LYS+ 112  14.76 +/- 1.90   2.616% *  0.0423% (0.38  1.00   0.02   0.02) =   0.001%
          HN    ALA   84 - HN    LYS+ 112  21.06 +/- 3.40   0.952% *  0.0977% (0.87  1.00   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    LYS+ 112  33.48 +/- 4.24   0.303% *  0.1104% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1215 (7.30, 8.17, 116.99 ppm):
    5 chemical-shift based assignments, quality = 0.283, support = 2.6, residual support = 2.54:
          QD    PHE   55 - HN    GLN  116   7.73 +/- 2.31  49.627% * 94.5161% (0.28   2.64   2.58) =  98.492%  kept
          QD    PHE   60 - HN    GLN  116  10.06 +/- 2.40  32.595% *  1.6641% (0.65   0.02   0.02) =   1.139%  kept
          HN    LYS+  81 - HN    GLN  116  23.31 +/- 3.65   3.706% *  2.4333% (0.95   0.02   0.02) =   0.189%  kept
          HN    LYS+  66 - HN    GLN  116  15.14 +/- 2.67  10.283% *  0.5091% (0.20   0.02   0.02) =   0.110%  kept
          HE3   TRP   27 - HN    GLN  116  20.84 +/- 2.93   3.790% *  0.8774% (0.34   0.02   0.02) =   0.070%
    Distance limit 4.39 A violated in 14 structures by 2.53 A, kept.
 
    Peak 1216 (3.69, 7.43, 118.69 ppm):
    7 chemical-shift based assignments, quality = 0.787, support = 6.07, residual support = 47.1:
      O   HA    ILE  119 - HN    ALA  120   3.60 +/- 0.02  58.157% * 84.6216% (0.80  10.0   6.27  52.40) =  89.766%  kept
          HA    THR  118 - HN    ALA  120   4.23 +/- 0.36  37.043% * 15.1416% (0.67   1.0   4.27   0.43) =  10.231%  kept
          HB2   TRP   49 - HN    ALA  120  21.98 +/- 4.62   0.576% *  0.0781% (0.74   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    ALA  120  19.19 +/- 3.30   1.011% *  0.0401% (0.38   1.0   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    ALA  120  15.32 +/- 2.60   1.005% *  0.0401% (0.38   1.0   0.02   0.02) =   0.001%
          HD3   PRO   58 - HN    ALA  120  11.80 +/- 1.48   1.930% *  0.0193% (0.18   1.0   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    ALA  120  22.71 +/- 2.44   0.278% *  0.0592% (0.56   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1217 (4.24, 7.43, 118.69 ppm):
    5 chemical-shift based assignments, quality = 0.92, support = 0.982, residual support = 5.26:
          HA    SER  117 - HN    ALA  120   3.71 +/- 0.18  91.635% * 96.3149% (0.92   0.98   5.26) =  99.915%  kept
          HA    ASP-  62 - HN    ALA  120  12.73 +/- 1.68   3.378% *  1.0332% (0.49   0.02   0.02) =   0.040%
          HA    ALA   57 - HN    ALA  120  12.59 +/- 1.67   3.432% *  0.8073% (0.38   0.02   0.02) =   0.031%
          HB    THR   26 - HN    ALA  120  25.54 +/- 4.86   0.638% *  1.5007% (0.71   0.02   0.02) =   0.011%
          HA1   GLY   51 - HN    ALA  120  19.63 +/- 3.26   0.918% *  0.3439% (0.16   0.02   0.02) =   0.004%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1218 (2.48, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.17, residual support = 111.5:
      O   HG3   GLN  116 - HE21  GLN  116   3.50 +/- 0.49  98.458% * 99.8198% (0.69  10.0   4.17 111.53) =  99.999%  kept
          HB3   TRP   87 - HE21  GLN  116  22.58 +/- 3.33   0.535% *  0.0881% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   MET   96 - HE21  GLN  116  19.15 +/- 2.34   0.775% *  0.0324% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HE21  GLN  116  30.58 +/- 4.25   0.231% *  0.0597% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1219 (1.45, 7.41, 111.00 ppm):
    13 chemical-shift based assignments, quality = 0.657, support = 3.52, residual support = 86.1:
          HB3   LEU  115 - HE21  GLN  116   8.06 +/- 1.65  14.836% * 60.8612% (0.95   3.63  98.73) =  46.186%  kept
          HG    LEU  115 - HE21  GLN  116   7.29 +/- 2.31  25.945% * 30.9138% (0.41   4.24  98.73) =  41.026%  kept
          QB    ALA  120 - HE21  GLN  116   5.49 +/- 1.55  39.850% *  6.1889% (0.41   0.85   0.17) =  12.615%  kept
          QG    LYS+  66 - HE21  GLN  116  13.50 +/- 3.34   3.760% *  0.2438% (0.69   0.02   0.02) =   0.047%
          QB    ALA   61 - HE21  GLN  116  11.52 +/- 2.19   5.072% *  0.1211% (0.34   0.02   0.02) =   0.031%
          HG    LEU   73 - HE21  GLN  116  20.74 +/- 5.00   1.672% *  0.3079% (0.87   0.02   0.02) =   0.026%
          HG    LEU   67 - HE21  GLN  116  17.41 +/- 3.11   1.242% *  0.3079% (0.87   0.02   0.02) =   0.020%
          HG    LEU   40 - HE21  GLN  116  19.21 +/- 3.34   0.976% *  0.3357% (0.95   0.02   0.02) =   0.017%
          QB    ALA  110 - HE21  GLN  116  11.97 +/- 1.99   3.897% *  0.0622% (0.18   0.02   0.02) =   0.012%
          HB3   LEU   67 - HE21  GLN  116  17.59 +/- 3.02   1.107% *  0.1727% (0.49   0.02   0.02) =   0.010%
          HG2   LYS+ 102 - HE21  GLN  116  26.76 +/- 2.97   0.269% *  0.3357% (0.95   0.02   0.02) =   0.005%
          HB3   LEU   40 - HE21  GLN  116  20.40 +/- 3.40   0.828% *  0.0790% (0.22   0.02   0.02) =   0.003%
          HG    LEU   80 - HE21  GLN  116  26.20 +/- 5.07   0.545% *  0.0702% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.71 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1220 (2.02, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.502, support = 1.36, residual support = 0.732:
          QB    GLU- 114 - HN    SER  117   4.88 +/- 0.18  44.732% * 62.7439% (0.61   1.27   0.78) =  73.399%  kept
          HB    ILE  119 - HN    SER  117   5.20 +/- 0.36  37.476% * 26.4679% (0.20   1.64   0.62) =  25.941%  kept
          HB2   LYS+ 111 - HN    SER  117   8.11 +/- 1.30  11.854% *  1.6256% (1.00   0.02   0.02) =   0.504%  kept
          HB3   PRO   68 - HN    SER  117  20.37 +/- 4.03   0.963% *  1.3608% (0.84   0.02   0.02) =   0.034%
          HB2   GLN   17 - HN    SER  117  23.69 +/- 4.97   0.752% *  1.6256% (1.00   0.02   0.02) =   0.032%
          HG2   PRO   68 - HN    SER  117  19.10 +/- 4.53   1.300% *  0.7304% (0.45   0.02   0.02) =   0.025%
          QB    GLU-  15 - HN    SER  117  24.90 +/- 3.91   0.432% *  1.6256% (1.00   0.02   0.02) =   0.018%
          HB    ILE   19 - HN    SER  117  23.12 +/- 3.60   0.749% *  0.8572% (0.53   0.02   0.02) =   0.017%
          HB3   GLU-  25 - HN    SER  117  28.80 +/- 4.54   0.314% *  1.5039% (0.92   0.02   0.02) =   0.012%
          HG3   GLN   30 - HN    SER  117  24.71 +/- 3.49   0.480% *  0.7304% (0.45   0.02   0.02) =   0.009%
          HB2   GLN   30 - HN    SER  117  23.99 +/- 3.15   0.555% *  0.3224% (0.20   0.02   0.02) =   0.005%
          HB3   GLU- 100 - HN    SER  117  24.99 +/- 3.50   0.394% *  0.4062% (0.25   0.02   0.02) =   0.004%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1221 (1.46, 8.66, 115.11 ppm):
    10 chemical-shift based assignments, quality = 0.87, support = 2.45, residual support = 2.86:
          HB3   LEU  115 - HN    SER  117   5.40 +/- 0.37  27.363% * 40.2141% (0.92   2.59   2.25) =  40.205%  kept
          HG    LEU  115 - HN    SER  117   5.63 +/- 0.92  26.352% * 41.0469% (0.84   2.92   2.25) =  39.522%  kept
          QB    ALA  120 - HN    SER  117   5.11 +/- 0.61  31.755% * 17.4076% (0.84   1.24   5.26) =  20.197%  kept
          QG    LYS+  66 - HN    SER  117  14.73 +/- 4.31   7.855% *  0.0936% (0.28   0.02   0.02) =   0.027%
          HG    LEU   40 - HN    SER  117  18.10 +/- 3.52   1.233% *  0.3106% (0.92   0.02   0.02) =   0.014%
          HG    LEU   67 - HN    SER  117  17.63 +/- 3.53   1.122% *  0.3298% (0.98   0.02   0.02) =   0.014%
          HG    LEU   73 - HN    SER  117  19.73 +/- 4.42   1.840% *  0.1509% (0.45   0.02   0.02) =   0.010%
          HB3   LEU   40 - HN    SER  117  19.35 +/- 3.69   0.919% *  0.2041% (0.61   0.02   0.02) =   0.007%
          HG2   LYS+ 102 - HN    SER  117  23.48 +/- 2.75   0.368% *  0.1905% (0.57   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    SER  117  17.82 +/- 3.72   1.193% *  0.0519% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.75 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1222 (2.99, 9.38, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.987, support = 3.36, residual support = 16.5:
          HB2   PHE   97 - HN    LEU  104   3.07 +/- 0.62  74.042% * 81.4611% (1.00   3.46  16.99) =  96.343%  kept
          QE    LYS+ 106 - HN    LEU  104   6.48 +/- 1.00  14.061% * 13.7621% (0.76   0.76   0.02) =   3.091%  kept
          QE    LYS+  99 - HN    LEU  104   7.26 +/- 1.06   8.737% *  3.9590% (0.38   0.45  18.67) =   0.552%  kept
          HB3   TRP   27 - HN    LEU  104  15.81 +/- 3.84   1.077% *  0.4679% (0.99   0.02   0.02) =   0.008%
          HB3   PHE   60 - HN    LEU  104  16.16 +/- 3.29   0.918% *  0.2673% (0.57   0.02   0.02) =   0.004%
          QE    LYS+  38 - HN    LEU  104  15.34 +/- 4.74   1.165% *  0.0827% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1223 (1.83, 9.38, 128.74 ppm):
    9 chemical-shift based assignments, quality = 0.933, support = 5.36, residual support = 36.3:
          HG12  ILE  103 - HN    LEU  104   3.98 +/- 0.44  60.138% * 83.0966% (0.97   5.60  38.81) =  93.387%  kept
          QB    LYS+ 102 - HN    LEU  104   5.71 +/- 0.38  22.690% * 15.3902% (0.49   2.05   0.29) =   6.526%  kept
          HB    VAL   41 - HN    LEU  104  10.67 +/- 5.22  11.540% *  0.3078% (1.00   0.02   0.02) =   0.066%
          QB    LYS+  66 - HN    LEU  104  17.18 +/- 3.54   1.377% *  0.2911% (0.95   0.02   0.02) =   0.007%
          HG    LEU  123 - HN    LEU  104  19.69 +/- 5.37   0.872% *  0.2352% (0.76   0.02   0.02) =   0.004%
          HG2   PRO   93 - HN    LEU  104  17.90 +/- 1.15   0.695% *  0.2235% (0.73   0.02   0.02) =   0.003%
          HB2   LEU   71 - HN    LEU  104  16.39 +/- 4.05   1.364% *  0.1050% (0.34   0.02   0.02) =   0.003%
          QB    LYS+  65 - HN    LEU  104  17.45 +/- 2.45   0.954% *  0.1155% (0.38   0.02   0.02) =   0.002%
          HB3   PRO   52 - HN    LEU  104  23.38 +/- 3.05   0.370% *  0.2352% (0.76   0.02   0.02) =   0.002%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1224 (1.41, 8.62, 122.05 ppm):
    11 chemical-shift based assignments, quality = 0.605, support = 2.33, residual support = 33.3:
          QB    LEU   98 - HN    ILE  103   4.29 +/- 0.79  81.312% * 91.3124% (0.61   2.34  33.40) =  99.770%  kept
          HB3   LYS+  74 - HN    ILE  103  18.93 +/- 3.72   2.586% *  1.1173% (0.87   0.02   0.02) =   0.039%
          HD3   LYS+ 121 - HN    ILE  103  18.10 +/- 7.87   2.420% *  1.1552% (0.90   0.02   0.02) =   0.038%
          HB2   LEU   80 - HN    ILE  103  19.25 +/- 4.21   2.119% *  1.2626% (0.98   0.02   0.02) =   0.036%
          HG12  ILE   19 - HN    ILE  103  19.01 +/- 3.55   1.677% *  1.1173% (0.87   0.02   0.02) =   0.025%
          QB    ALA  110 - HN    ILE  103  16.95 +/- 1.64   1.809% *  1.0314% (0.80   0.02   0.02) =   0.025%
          HG    LEU   80 - HN    ILE  103  20.18 +/- 4.16   1.638% *  0.9844% (0.76   0.02   0.02) =   0.022%
          QB    ALA   61 - HN    ILE  103  17.59 +/- 2.92   1.837% *  0.7293% (0.57   0.02   0.02) =   0.018%
          QB    ALA   12 - HN    ILE  103  23.14 +/- 4.96   1.928% *  0.4394% (0.34   0.02   0.02) =   0.011%
          HB3   LEU   67 - HN    ILE  103  19.73 +/- 4.32   1.558% *  0.5295% (0.41   0.02   0.02) =   0.011%
          QG    LYS+  66 - HN    ILE  103  21.05 +/- 3.03   1.117% *  0.3212% (0.25   0.02   0.02) =   0.005%
    Distance limit 4.44 A violated in 1 structures by 0.25 A, kept.
 
    Peak 1225 (0.73, 8.62, 122.05 ppm):
    7 chemical-shift based assignments, quality = 0.78, support = 5.27, residual support = 37.1:
          QD2   LEU  104 - HN    ILE  103   4.79 +/- 0.76  29.396% * 79.1775% (1.00   5.60  38.81) =  68.193%  kept
          QD1   LEU   98 - HN    ILE  103   3.49 +/- 0.98  54.087% * 20.0422% (0.31   4.59  33.40) =  31.760%  kept
          QG1   VAL   41 - HN    ILE  103  10.88 +/- 5.18   8.826% *  0.0560% (0.20   0.02   0.02) =   0.014%
          QG1   VAL   43 - HN    ILE  103   9.35 +/- 2.98   4.443% *  0.0965% (0.34   0.02   0.02) =   0.013%
          QD1   ILE   19 - HN    ILE  103  16.19 +/- 3.36   1.058% *  0.2731% (0.97   0.02   0.02) =   0.008%
          QG2   THR   46 - HN    ILE  103  16.03 +/- 3.27   1.254% *  0.1944% (0.69   0.02   0.02) =   0.007%
          QG2   VAL   18 - HN    ILE  103  16.59 +/- 3.67   0.935% *  0.1602% (0.57   0.02   0.02) =   0.004%
    Distance limit 4.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1226 (0.58, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.411, support = 6.87, residual support = 214.8:
          QD1   LEU  104 - HN    LEU  104   3.78 +/- 0.84  59.514% * 97.1272% (0.41   6.89 215.53) =  99.669%  kept
          QD1   LEU   73 - HN    LEU  104  12.34 +/- 3.53  12.543% *  0.6620% (0.97   0.02   0.02) =   0.143%  kept
          QD1   LEU   63 - HN    LEU  104  11.93 +/- 2.99   6.512% *  0.6620% (0.97   0.02   0.02) =   0.074%
          QD2   LEU   63 - HN    LEU  104  12.08 +/- 3.49   7.188% *  0.4981% (0.73   0.02   0.02) =   0.062%
          QG2   VAL   41 - HN    LEU  104   8.96 +/- 4.17  11.021% *  0.1358% (0.20   0.02   0.02) =   0.026%
          QD2   LEU  115 - HN    LEU  104  13.31 +/- 2.87   1.981% *  0.4712% (0.69   0.02   0.02) =   0.016%
          QD2   LEU   80 - HN    LEU  104  16.86 +/- 3.62   1.242% *  0.4438% (0.65   0.02   0.02) =   0.010%
    Distance limit 4.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1227 (0.71, 7.80, 116.22 ppm):
    3 chemical-shift based assignments, quality = 0.629, support = 4.9, residual support = 18.4:
          QD1   LEU   98 - HN    ASP- 105   5.75 +/- 0.62  30.952% * 75.5630% (0.95   3.77   6.15) =  58.922%  kept
          QD2   LEU  104 - HN    ASP- 105   4.04 +/- 0.86  67.368% * 24.1971% (0.18   6.52  36.07) =  41.068%  kept
          QG2   ILE   19 - HN    ASP- 105  15.89 +/- 2.64   1.681% *  0.2399% (0.57   0.02   0.02) =   0.010%
    Distance limit 4.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1228 (1.38, 8.97, 118.18 ppm):
    15 chemical-shift based assignments, quality = 0.895, support = 4.01, residual support = 135.3:
          HG3   LYS+ 106 - HN    LYS+ 106   3.93 +/- 0.53  62.249% * 95.5283% (0.90   4.01 135.48) =  99.838%  kept
          HB    VAL   42 - HN    LYS+ 106  11.91 +/- 3.15   4.251% *  0.5294% (1.00   0.02   0.02) =   0.038%
          QB    LEU   98 - HN    LYS+ 106   8.60 +/- 0.75   7.251% *  0.2181% (0.41   0.02   0.02) =   0.027%
          HG3   LYS+ 102 - HN    LYS+ 106  12.80 +/- 1.16   2.246% *  0.5259% (0.99   0.02   0.02) =   0.020%
          HB3   LEU   73 - HN    LYS+ 106  16.82 +/- 3.64   1.849% *  0.5294% (1.00   0.02   0.02) =   0.016%
          HB2   LYS+ 112 - HN    LYS+ 106  15.24 +/- 2.04   1.316% *  0.5121% (0.97   0.02   0.02) =   0.011%
          HD3   LYS+ 121 - HN    LYS+ 106  13.31 +/- 8.01   7.135% *  0.0929% (0.18   0.02   0.02) =   0.011%
          HG    LEU   98 - HN    LYS+ 106  10.09 +/- 1.43   5.595% *  0.1181% (0.22   0.02   0.02) =   0.011%
          QB    ALA   84 - HN    LYS+ 106  14.36 +/- 2.20   2.433% *  0.1638% (0.31   0.02   0.02) =   0.007%
          HB3   PRO   93 - HN    LYS+ 106  13.21 +/- 0.82   1.853% *  0.1810% (0.34   0.02   0.02) =   0.006%
          HG3   LYS+  65 - HN    LYS+ 106  20.31 +/- 2.75   0.621% *  0.5294% (1.00   0.02   0.02) =   0.006%
          HG3   LYS+  33 - HN    LYS+ 106  21.91 +/- 2.72   0.468% *  0.5201% (0.98   0.02   0.02) =   0.004%
          QB    ALA   12 - HN    LYS+ 106  25.84 +/- 4.29   0.440% *  0.3645% (0.69   0.02   0.02) =   0.003%
          HB3   LYS+  74 - HN    LYS+ 106  17.97 +/- 3.60   1.302% *  0.1050% (0.20   0.02   0.02) =   0.002%
          QB    ALA  124 - HN    LYS+ 106  18.49 +/- 5.34   0.990% *  0.0819% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1229 (1.08, 8.97, 118.18 ppm):
    6 chemical-shift based assignments, quality = 0.525, support = 2.84, residual support = 26.7:
          QG1   VAL  107 - HN    LYS+ 106   4.96 +/- 0.68  76.352% * 97.0497% (0.53   2.85  26.74) =  99.788%  kept
          HG    LEU   63 - HN    LYS+ 106  14.61 +/- 3.19   6.995% *  0.9400% (0.73   0.02   0.02) =   0.089%
          QG2   VAL   24 - HN    LYS+ 106  16.37 +/- 3.37   5.154% *  1.1228% (0.87   0.02   0.02) =   0.078%
          QG1   VAL   24 - HN    LYS+ 106  17.50 +/- 3.61   4.990% *  0.2882% (0.22   0.02   0.02) =   0.019%
          HG3   LYS+ 112 - HN    LYS+ 106  15.14 +/- 1.98   3.128% *  0.3995% (0.31   0.02   0.02) =   0.017%
          HD3   LYS+ 112 - HN    LYS+ 106  15.61 +/- 2.10   3.381% *  0.1997% (0.15   0.02   0.02) =   0.009%
    Distance limit 4.89 A violated in 0 structures by 0.33 A, kept.
 
    Peak 1230 (0.90, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.52, residual support = 65.0:
          QG1   VAL  108 - HN    VAL  108   3.56 +/- 0.14  95.306% * 99.4333% (0.98   4.52  65.03) =  99.991%  kept
          QD1   LEU   40 - HN    VAL  108  14.74 +/- 2.01   1.613% *  0.2185% (0.49   0.02   0.02) =   0.004%
          HB3   LEU   63 - HN    VAL  108  15.76 +/- 2.41   1.387% *  0.2362% (0.53   0.02   0.02) =   0.003%
          QD2   LEU   67 - HN    VAL  108  16.81 +/- 3.38   1.694% *  0.1119% (0.25   0.02   0.02) =   0.002%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1231 (0.63, 7.72, 122.85 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 2.84, residual support = 7.63:
          QG2   ILE   89 - HN    ALA   91   3.52 +/- 0.51  78.158% * 98.4035% (1.00   2.84   7.64) =  99.846%  kept
          QG1   VAL   83 - HN    TRP   27  10.70 +/- 4.85  10.079% *  1.0268% (0.07   0.46   0.37) =   0.134%  kept
          QG1   VAL   83 - HN    ALA   91  10.55 +/- 1.68   3.309% *  0.3642% (0.53   0.02   0.02) =   0.016%
          QG2   ILE   89 - HN    TRP   27  13.54 +/- 2.14   1.882% *  0.0855% (0.12   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    ALA   91  16.76 +/- 1.27   0.910% *  0.1068% (0.15   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    TRP   27  14.97 +/- 3.84   5.661% *  0.0132% (0.02   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1232 (1.26, 10.11, 128.03 ppm):
    10 chemical-shift based assignments, quality = 0.451, support = 5.27, residual support = 38.3:
          HG3   LYS+  99 - HN    GLU- 100   3.70 +/- 0.64  50.604% * 94.9612% (0.45   5.31  38.54) =  99.338%  kept
          HG3   LYS+  38 - HN    GLU- 100  12.83 +/- 9.43  13.983% *  0.7909% (0.99   0.02   0.02) =   0.229%  kept
          QB    ALA   34 - HN    GLU- 100   8.79 +/- 5.33  16.190% *  0.5794% (0.73   0.02   0.02) =   0.194%  kept
          QG2   THR   39 - HN    GLU- 100  10.46 +/- 6.36  11.349% *  0.7548% (0.95   0.02   0.02) =   0.177%  kept
          HG2   LYS+  74 - HN    GLU- 100  17.93 +/- 3.36   2.796% *  0.3280% (0.41   0.02   0.02) =   0.019%
          HG    LEU   71 - HN    GLU- 100  15.43 +/- 6.49   2.079% *  0.2995% (0.38   0.02   0.02) =   0.013%
          HG13  ILE   19 - HN    GLU- 100  15.47 +/- 4.15   1.117% *  0.5162% (0.65   0.02   0.02) =   0.012%
          QG2   THR   23 - HN    GLU- 100  16.88 +/- 3.90   1.080% *  0.2995% (0.38   0.02   0.02) =   0.007%
          QG2   ILE   56 - HN    GLU- 100  20.25 +/- 2.60   0.416% *  0.7156% (0.90   0.02   0.02) =   0.006%
          QB    ALA   91 - HN    GLU- 100  19.80 +/- 0.94   0.386% *  0.7548% (0.95   0.02   0.02) =   0.006%
    Distance limit 4.21 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1233 (1.37, 7.29, 121.74 ppm):
    15 chemical-shift based assignments, quality = 0.563, support = 0.975, residual support = 5.47:
          QB    ALA   84 - HN    LYS+  81   4.46 +/- 0.26  67.510% * 76.0479% (0.57   0.98   5.52) =  99.133%  kept
          HB3   LEU   73 - HN    LYS+  81  14.78 +/- 3.13   2.786% *  2.5221% (0.92   0.02   0.02) =   0.136%  kept
          HB    VAL   42 - HN    LYS+  81  18.13 +/- 3.23   2.266% *  2.3699% (0.87   0.02   0.02) =   0.104%  kept
          QB    LEU   98 - HN    LYS+  81  16.39 +/- 4.31   9.154% *  0.5407% (0.20   0.02   0.02) =   0.096%
          HG3   LYS+ 106 - HN    LYS+  81  18.62 +/- 3.27   1.747% *  2.7321% (1.00   0.02   0.02) =   0.092%
          HG    LEU   98 - HN    LYS+  81  18.51 +/- 4.45   3.705% *  1.2249% (0.45   0.02   0.02) =   0.088%
          HB3   PRO   93 - HN    LYS+  81  15.72 +/- 3.15   2.371% *  1.6571% (0.61   0.02   0.02) =   0.076%
          QB    ALA   12 - HN    LYS+  81  23.62 +/- 5.55   2.331% *  1.1232% (0.41   0.02   0.02) =   0.051%
          HG3   LYS+  65 - HN    LYS+  81  19.96 +/- 3.62   1.073% *  2.3699% (0.87   0.02   0.02) =   0.049%
          HG3   LYS+  33 - HN    LYS+  81  21.62 +/- 5.37   1.128% *  2.1877% (0.80   0.02   0.02) =   0.048%
          HG3   LYS+ 102 - HN    LYS+  81  24.49 +/- 4.77   0.799% *  2.5845% (0.95   0.02   0.02) =   0.040%
          HB2   LYS+ 112 - HN    LYS+  81  22.91 +/- 4.15   0.744% *  2.6780% (0.98   0.02   0.02) =   0.038%
          HB3   ASP-  44 - HN    LYS+  81  13.99 +/- 2.39   2.928% *  0.6083% (0.22   0.02   0.02) =   0.034%
          QB    ALA  124 - HN    LYS+  81  27.20 +/- 3.94   0.461% *  0.9320% (0.34   0.02   0.02) =   0.008%
          HB2   LEU   63 - HN    LYS+  81  19.28 +/- 2.36   0.997% *  0.4216% (0.15   0.02   0.02) =   0.008%
    Distance limit 4.25 A violated in 0 structures by 0.24 A, kept.
 
    Peak 1234 (0.08, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.924, support = 5.82, residual support = 212.6:
          QD1   ILE   89 - HN    ILE   89   3.51 +/- 0.33  75.915% * 95.0713% (0.92   5.90 215.66) =  98.578%  kept
          QG2   VAL   83 - HN    ILE   89   5.85 +/- 0.93  22.107% *  4.6888% (1.00   0.27   0.02) =   1.416%  kept
          QD2   LEU   31 - HN    ILE   89  13.56 +/- 2.83   1.979% *  0.2399% (0.69   0.02   0.02) =   0.006%
    Distance limit 3.81 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1235 (1.34, 7.91, 118.70 ppm):
    12 chemical-shift based assignments, quality = 0.364, support = 4.14, residual support = 9.68:
          QB    ALA   88 - HN    ILE   89   3.11 +/- 0.41  56.653% * 59.5219% (0.34   4.70   8.80) =  78.901%  kept
          QB    ALA   84 - HN    ILE   89   4.46 +/- 0.92  25.739% * 34.6296% (0.45   2.08  13.12) =  20.855%  kept
          HB3   ASP-  44 - HN    ILE   89  11.68 +/- 2.45   9.717% *  0.6208% (0.84   0.02   0.02) =   0.141%  kept
          HB3   LEU   80 - HN    ILE   89  10.17 +/- 1.91   2.825% *  0.7286% (0.98   0.02   0.02) =   0.048%
          HB3   PRO   93 - HN    ILE   89  11.84 +/- 1.71   2.279% *  0.3056% (0.41   0.02   0.02) =   0.016%
          HG    LEU   98 - HN    ILE   89  13.44 +/- 2.47   1.052% *  0.4208% (0.57   0.02   0.02) =   0.010%
          HB2   LEU   31 - HN    ILE   89  18.04 +/- 3.98   0.432% *  0.7416% (1.00   0.02   0.02) =   0.008%
          HG2   LYS+ 111 - HN    ILE   89  17.71 +/- 3.01   0.434% *  0.7286% (0.98   0.02   0.02) =   0.007%
          HB2   LEU   63 - HN    ILE   89  18.05 +/- 1.98   0.352% *  0.6861% (0.92   0.02   0.02) =   0.006%
          HG2   LYS+  99 - HN    ILE   89  20.02 +/- 2.11   0.247% *  0.5952% (0.80   0.02   0.02) =   0.003%
          HG2   LYS+  38 - HN    ILE   89  24.28 +/- 4.48   0.153% *  0.5106% (0.69   0.02   0.02) =   0.002%
          QB    ALA  124 - HN    ILE   89  25.45 +/- 2.70   0.116% *  0.5106% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1236 (1.25, 8.62, 127.39 ppm):
    11 chemical-shift based assignments, quality = 0.648, support = 3.98, residual support = 34.7:
          QB    ALA   91 - HN    GLN   90   3.90 +/- 0.52  50.342% * 61.1815% (0.84   3.04  32.36) =  68.071%  kept
          HG12  ILE   89 - HN    GLN   90   4.27 +/- 0.47  40.117% * 35.9472% (0.25   5.99  39.68) =  31.871%  kept
          HG2   LYS+  74 - HN    GLN   90  14.78 +/- 2.65   1.593% *  0.4445% (0.92   0.02   0.02) =   0.016%
          HG    LEU   71 - HN    GLN   90  21.78 +/- 3.98   1.176% *  0.4318% (0.90   0.02   0.02) =   0.011%
          QG2   ILE   56 - HN    GLN   90  13.06 +/- 3.43   2.726% *  0.1807% (0.38   0.02   0.02) =   0.011%
          QG2   THR   39 - HN    GLN   90  19.00 +/- 2.86   0.701% *  0.4022% (0.84   0.02   0.02) =   0.006%
          HG13  ILE   19 - HN    GLN   90  21.59 +/- 3.32   0.404% *  0.4815% (1.00   0.02   0.02) =   0.004%
          HG3   LYS+  99 - HN    GLN   90  21.93 +/- 1.42   0.324% *  0.4555% (0.95   0.02   0.02) =   0.003%
          HG3   LYS+ 111 - HN    GLN   90  14.94 +/- 3.08   1.516% *  0.0953% (0.20   0.02   0.02) =   0.003%
          QB    ALA   34 - HN    GLN   90  17.24 +/- 2.62   0.868% *  0.1072% (0.22   0.02   0.02) =   0.002%
          HG3   LYS+  38 - HN    GLN   90  25.84 +/- 3.60   0.233% *  0.2726% (0.57   0.02   0.02) =   0.001%
    Distance limit 4.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1238 (2.15, 8.62, 127.39 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 5.59, residual support = 89.3:
      O   HB2   GLN   90 - HN    GLN   90   3.63 +/- 0.45  91.950% * 99.4917% (0.73  10.0   5.59  89.27) =  99.990%  kept
          HB3   GLU-  79 - HN    GLN   90  12.92 +/- 2.59   3.418% *  0.1343% (0.98   1.0   0.02   0.02) =   0.005%
          QB    GLU-  36 - HN    GLN   90  24.08 +/- 4.51   2.351% *  0.1367% (1.00   1.0   0.02   0.02) =   0.004%
          HB3   GLU-  29 - HN    GLN   90  23.73 +/- 3.50   0.738% *  0.1229% (0.90   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    GLN   90  23.47 +/- 3.29   0.532% *  0.0721% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   90  25.89 +/- 3.97   0.592% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   90  23.57 +/- 1.74   0.419% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1239 (0.77, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.865, support = 5.49, residual support = 43.8:
          QD2   LEU   73 - HN    PHE   72   4.63 +/- 0.70  32.547% * 97.8998% (0.87   5.52  44.07) =  99.373%  kept
          QG1   VAL   43 - HN    PHE   72   8.66 +/- 1.57   8.341% *  0.9047% (0.57   0.08   0.02) =   0.235%  kept
          QG1   VAL   41 - HN    PHE   72   6.44 +/- 1.81  18.857% *  0.3122% (0.76   0.02   0.02) =   0.184%  kept
          QG2   VAL   18 - HN    PHE   72   5.64 +/- 2.61  31.348% *  0.1394% (0.34   0.02   0.02) =   0.136%  kept
          HG    LEU   31 - HN    PHE   72  10.46 +/- 1.50   3.374% *  0.3943% (0.97   0.02   0.02) =   0.041%
          QD1   ILE   56 - HN    PHE   72  13.29 +/- 2.59   2.792% *  0.2478% (0.61   0.02   0.02) =   0.022%
          QG2   THR   46 - HN    PHE   72  10.91 +/- 1.27   2.741% *  0.1019% (0.25   0.02   0.02) =   0.009%
    Distance limit 4.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1240 (0.40, 9.36, 127.59 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.35, residual support = 47.0:
          QB    ALA   64 - HN    PHE   72   3.35 +/- 0.90  98.584% * 99.9196% (1.00   4.35  46.98) =  99.999%  kept
          QB    ALA   47 - HN    PHE   72  15.37 +/- 1.38   1.416% *  0.0804% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1241 (2.00, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.701, support = 2.67, residual support = 8.09:
          HB    ILE   19 - HN    LYS+  74   6.52 +/- 2.56  45.148% * 91.9900% (0.71   2.71   8.22) =  98.499%  kept
          HB2   GLN   17 - HN    LYS+  74  10.97 +/- 2.43   9.616% *  4.6862% (0.43   0.23   0.02) =   1.069%  kept
          HG2   PRO   68 - HN    LYS+  74  15.16 +/- 1.80   6.110% *  0.6680% (0.69   0.02   0.02) =   0.097%
          HB3   GLU-  25 - HN    LYS+  74  13.43 +/- 0.93   6.786% *  0.5457% (0.57   0.02   0.02) =   0.088%
          QB    GLU- 114 - HN    LYS+  74  18.01 +/- 3.37   4.512% *  0.6800% (0.71   0.02   0.02) =   0.073%
          QB    GLU-  15 - HN    LYS+  74  13.40 +/- 2.81   5.200% *  0.4134% (0.43   0.02   0.02) =   0.051%
          HB2   LEU  115 - HN    LYS+  74  16.97 +/- 3.34   6.713% *  0.2325% (0.24   0.02   0.02) =   0.037%
          HG3   PRO   58 - HN    LYS+  74  16.06 +/- 2.57   5.441% *  0.2558% (0.27   0.02   0.02) =   0.033%
          HB3   PRO   68 - HN    LYS+  74  15.40 +/- 2.06   7.925% *  0.1699% (0.18   0.02   0.02) =   0.032%
          HB2   LYS+ 111 - HN    LYS+  74  21.69 +/- 3.09   2.550% *  0.3586% (0.37   0.02   0.02) =   0.022%
    Distance limit 4.68 A violated in 9 structures by 1.86 A, kept.
 
    Peak 1242 (0.60, 8.48, 121.30 ppm):
    7 chemical-shift based assignments, quality = 0.373, support = 5.37, residual support = 41.7:
          QD1   LEU   73 - HN    LYS+  74   4.47 +/- 0.60  55.591% * 91.8117% (0.37   5.47  42.48) =  98.085%  kept
          QD1   LEU   63 - HN    LYS+  74   8.78 +/- 1.97  14.609% *  5.8271% (0.37   0.35   0.02) =   1.636%  kept
          QD2   LEU   80 - HN    LYS+  74  10.05 +/- 3.41  12.019% *  0.5721% (0.64   0.02   0.02) =   0.132%  kept
          QG1   VAL   83 - HN    LYS+  74  10.98 +/- 2.37   5.198% *  0.4875% (0.54   0.02   0.02) =   0.049%
          QD1   LEU  104 - HN    LYS+  74  13.72 +/- 2.99   3.834% *  0.6365% (0.71   0.02   0.02) =   0.047%
          QD2   LEU  115 - HN    LYS+  74  13.19 +/- 2.92   3.859% *  0.5534% (0.61   0.02   0.02) =   0.041%
          QG2   ILE   89 - HN    LYS+  74  11.09 +/- 1.35   4.891% *  0.1117% (0.12   0.02   0.02) =   0.010%
    Distance limit 4.68 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1243 (1.33, 8.52, 119.25 ppm):
    12 chemical-shift based assignments, quality = 0.357, support = 4.53, residual support = 27.3:
          QG2   THR   77 - HN    ASP-  78   3.83 +/- 0.62  57.234% * 77.7551% (0.34   4.75  28.45) =  94.916%  kept
          HB3   LEU   80 - HN    ASP-  78   6.89 +/- 1.15  13.903% * 16.3496% (0.69   0.50   6.16) =   4.848%  kept
          HG2   LYS+  38 - HN    ASP-  78  24.79 +/- 5.54   2.169% *  0.9414% (0.98   0.02   0.02) =   0.044%
          QB    ALA   84 - HN    ASP-  78   7.08 +/- 1.27  13.713% *  0.1482% (0.15   0.02   0.02) =   0.043%
          QB    ALA   88 - HN    ASP-  78  13.11 +/- 2.10   2.843% *  0.6974% (0.73   0.02   0.02) =   0.042%
          HB3   ASP-  44 - HN    ASP-  78  11.14 +/- 2.82   3.487% *  0.4306% (0.45   0.02   0.02) =   0.032%
          HG2   LYS+  99 - HN    ASP-  78  22.73 +/- 4.98   1.170% *  0.9604% (1.00   0.02   0.02) =   0.024%
          HB2   LEU   63 - HN    ASP-  78  15.03 +/- 2.08   1.213% *  0.5437% (0.57   0.02   0.02) =   0.014%
          HG2   LYS+ 111 - HN    ASP-  78  21.77 +/- 4.83   0.646% *  0.8613% (0.90   0.02   0.02) =   0.012%
          HG    LEU   98 - HN    ASP-  78  17.74 +/- 4.01   2.523% *  0.2138% (0.22   0.02   0.02) =   0.012%
          HB2   LEU   31 - HN    ASP-  78  19.20 +/- 3.20   0.598% *  0.8022% (0.84   0.02   0.02) =   0.010%
          QB    ALA  124 - HN    ASP-  78  23.81 +/- 3.74   0.500% *  0.2964% (0.31   0.02   0.02) =   0.003%
    Distance limit 4.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1244 (0.36, 8.52, 119.25 ppm):
    3 chemical-shift based assignments, quality = 0.94, support = 0.676, residual support = 0.407:
          QB    ALA   47 - HN    ASP-  78   9.50 +/- 5.14  57.518% * 57.2868% (0.92   0.75   0.51) =  69.842%  kept
          QG1   VAL   42 - HN    ASP-  78  12.48 +/- 1.40  34.240% * 41.1855% (0.98   0.51   0.16) =  29.891%  kept
          HG2   LYS+ 112 - HN    ASP-  78  19.45 +/- 5.05   8.242% *  1.5276% (0.92   0.02   0.02) =   0.267%  kept
    Distance limit 4.62 A violated in 14 structures by 3.67 A, kept.
 
    Peak 1245 (4.26, 8.52, 119.25 ppm):
    10 chemical-shift based assignments, quality = 0.658, support = 4.25, residual support = 25.1:
          HB    THR   77 - HN    ASP-  78   3.88 +/- 0.36  58.755% * 38.1454% (0.45   4.75  28.45) =  55.619%  kept
          HA    GLU-  79 - HN    ASP-  78   4.94 +/- 0.25  29.690% * 60.1462% (0.92   3.64  21.02) =  44.315%  kept
          HA1   GLY   51 - HN    ASP-  78  16.43 +/- 5.68   2.130% *  0.3577% (1.00   0.02   0.02) =   0.019%
          HA    ALA   57 - HN    ASP-  78  15.43 +/- 4.56   2.056% *  0.3215% (0.90   0.02   0.02) =   0.016%
          HA    ASP-  44 - HN    ASP-  78  11.60 +/- 2.58   2.768% *  0.1345% (0.38   0.02   0.02) =   0.009%
          HA    SER   85 - HN    ASP-  78  13.07 +/- 1.50   1.885% *  0.1607% (0.45   0.02   0.02) =   0.008%
          HA    THR   39 - HN    ASP-  78  21.62 +/- 3.95   0.864% *  0.3459% (0.97   0.02   0.02) =   0.007%
          HA    ILE  103 - HN    ASP-  78  19.74 +/- 3.60   0.967% *  0.2029% (0.57   0.02   0.02) =   0.005%
          HA    MET   11 - HN    ASP-  78  28.36 +/- 6.55   0.415% *  0.1223% (0.34   0.02   0.02) =   0.001%
          HA    SER  117 - HN    ASP-  78  23.02 +/- 4.43   0.470% *  0.0628% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1246 (4.83, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 4.57, residual support = 39.5:
      O   HA    ASP-  78 - HN    ASP-  78   2.80 +/- 0.07  90.529% * 98.6752% (1.00  10.0   4.57  39.56) =  99.916%  kept
          HA    LEU   80 - HN    ASP-  78   7.08 +/- 0.66   6.103% *  1.1904% (0.49   1.0   0.50   6.16) =   0.081%
          HA    THR   23 - HN    ASP-  78  12.85 +/- 3.73   1.992% *  0.0856% (0.87   1.0   0.02   0.02) =   0.002%
          HB    THR   23 - HN    ASP-  78  14.54 +/- 3.33   1.121% *  0.0337% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ASP-  78  21.23 +/- 2.56   0.256% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1248 (3.69, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.989, support = 8.06, residual support = 202.9:
      O   HA    ILE  119 - HN    ILE  119   2.79 +/- 0.05  62.109% * 50.7779% (1.00  10.0   8.55 269.49) =  67.828%  kept
      O   HA    THR  118 - HN    ILE  119   3.54 +/- 0.05  30.523% * 49.0042% (0.97  10.0   7.03  62.44) =  32.170%  kept
          HA2   GLY  109 - HN    ILE  119  13.55 +/- 2.73   0.766% *  0.0369% (0.73   1.0   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    ILE  119  20.11 +/- 3.87   0.296% *  0.0503% (0.99   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    CYS   21   7.49 +/- 1.27   4.222% *  0.0028% (0.06   1.0   0.02   0.29) =   0.000%
          HA    ALA   84 - HN    ILE  119  20.67 +/- 2.20   0.172% *  0.0455% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    CYS   21  15.37 +/- 2.09   0.469% *  0.0144% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    CYS   21  18.64 +/- 3.59   0.381% *  0.0160% (0.32   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    CYS   21  20.23 +/- 4.18   0.320% *  0.0155% (0.30   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ILE  119  17.32 +/- 2.93   0.467% *  0.0089% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    CYS   21  22.39 +/- 3.66   0.162% *  0.0159% (0.31   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    CYS   21  23.63 +/- 2.45   0.114% *  0.0117% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1249 (3.82, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.701, support = 5.39, residual support = 30.7:
          HB2   CYS   53 - HN    ARG+  54   3.36 +/- 0.38  60.203% * 83.3050% (0.72   5.53  32.13) =  95.201%  kept
          HD3   PRO   52 - HN    ARG+  54   5.29 +/- 0.17  16.735% * 14.4929% (0.26   2.65   1.91) =   4.604%  kept
          HD2   PRO   58 - HN    ASP-  62   6.88 +/- 0.62   7.734% *  0.8058% (0.16   0.24   0.02) =   0.118%  kept
          HD2   PRO   58 - HN    ARG+  54   7.72 +/- 1.77  10.005% *  0.3636% (0.87   0.02   0.02) =   0.069%
          HB2   CYS   53 - HN    ASP-  62  10.90 +/- 2.07   2.713% *  0.0563% (0.14   0.02   0.02) =   0.003%
          HA    VAL   83 - HN    ARG+  54  22.08 +/- 3.14   0.288% *  0.3417% (0.82   0.02   0.02) =   0.002%
          HA    GLN   30 - HN    ARG+  54  25.90 +/- 4.08   0.348% *  0.1344% (0.32   0.02   0.02) =   0.001%
          HA    GLU- 100 - HN    ARG+  54  28.81 +/- 2.90   0.111% *  0.3290% (0.79   0.02   0.02) =   0.001%
          HA    GLU- 100 - HN    ASP-  62  22.23 +/- 2.83   0.309% *  0.0616% (0.15   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ASP-  62  21.08 +/- 2.26   0.286% *  0.0639% (0.15   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  62  15.54 +/- 2.03   0.801% *  0.0205% (0.05   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  62  18.81 +/- 2.18   0.467% *  0.0251% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1250 (0.76, 7.72, 117.18 ppm):
    8 chemical-shift based assignments, quality = 0.849, support = 0.769, residual support = 0.461:
          QG2   VAL   18 - HN    ALA   61   9.22 +/- 3.30  23.010% * 47.5116% (0.95   1.00   0.76) =  57.742%  kept
          QG2   THR   46 - HN    ALA   61   8.07 +/- 3.01  24.852% * 17.4055% (0.87   0.40   0.02) =  22.847%  kept
          QD2   LEU   73 - HN    ALA   61   9.15 +/- 2.56  20.800% *  9.7962% (0.25   0.78   0.12) =  10.762%  kept
          QG1   VAL   41 - HN    ALA   61  12.57 +/- 1.76   6.016% * 12.8009% (0.92   0.28   0.02) =   4.068%  kept
          QG1   VAL   43 - HN    ALA   61  10.25 +/- 1.76   9.046% *  7.2388% (1.00   0.14   0.02) =   3.459%  kept
          QD1   ILE   19 - HN    ALA   61  13.38 +/- 2.06   3.673% *  4.4911% (0.53   0.17   0.02) =   0.871%  kept
          QD2   LEU  104 - HN    ALA   61  15.22 +/- 2.81   7.144% *  0.3780% (0.38   0.02   0.02) =   0.143%  kept
          HG    LEU   31 - HN    ALA   61  16.42 +/- 3.43   5.459% *  0.3780% (0.38   0.02   0.02) =   0.109%  kept
    Distance limit 4.69 A violated in 4 structures by 0.76 A, kept.
 
    Peak 1251 (2.15, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.919, support = 5.65, residual support = 51.2:
          QB    GLU-  36 - HN    ASN   35   4.31 +/- 0.27  66.216% * 96.7066% (0.92   5.68  51.53) =  99.332%  kept
          HB2   LYS+  38 - HN    ASN   35   6.85 +/- 0.58  18.988% *  2.0096% (0.28   0.39   0.02) =   0.592%  kept
          HB3   GLU-  29 - HN    ASN   35   9.20 +/- 0.88   7.539% *  0.3655% (0.99   0.02   0.02) =   0.043%
          HG3   GLU-  29 - HN    ASN   35  11.30 +/- 0.75   3.849% *  0.2678% (0.73   0.02   0.02) =   0.016%
          HB2   GLN   90 - HN    ASN   35  25.66 +/- 4.80   1.888% *  0.3307% (0.90   0.02   0.02) =   0.010%
          HB3   GLU-  79 - HN    ASN   35  20.72 +/- 4.30   1.521% *  0.3199% (0.87   0.02   0.02) =   0.008%
    Distance limit 4.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1252 (2.30, 8.48, 122.27 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 48.4:
      O   QB    MET   11 - HN    MET   11   2.83 +/- 0.49  93.553% * 99.3665% (0.69  10.0   3.00  48.36) =  99.996%  kept
          HG3   GLU-  36 - HN    MET   11  18.08 +/- 6.10   1.406% *  0.1255% (0.87   1.0   0.02   0.02) =   0.002%
          QG    GLU-  15 - HN    MET   11  11.85 +/- 1.96   1.714% *  0.0361% (0.25   1.0   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    MET   11  10.48 +/- 0.95   2.407% *  0.0223% (0.15   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    MET   11  28.41 +/- 5.90   0.192% *  0.1050% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    MET   11  37.02 +/- 6.19   0.105% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    MET   11  33.85 +/- 4.18   0.083% *  0.1158% (0.80   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    MET   11  26.20 +/- 5.64   0.331% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    MET   11  28.68 +/- 3.45   0.144% *  0.0253% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    MET   11  38.99 +/- 4.75   0.064% *  0.0493% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1253 (2.08, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 48.3:
          HG2   MET   11 - HN    MET   11   4.03 +/- 0.63  89.454% * 97.3781% (0.92   3.31  48.36) =  99.950%  kept
          HB2   GLU-  14 - HN    MET   11  11.39 +/- 1.46   5.272% *  0.6025% (0.95   0.02   0.02) =   0.036%
          QB    GLN   32 - HN    MET   11  18.62 +/- 4.98   3.535% *  0.1771% (0.28   0.02   0.02) =   0.007%
          HB2   PRO   68 - HN    MET   11  24.84 +/- 5.64   0.776% *  0.3100% (0.49   0.02   0.02) =   0.003%
          HG2   PRO   58 - HN    MET   11  34.18 +/- 4.73   0.214% *  0.6243% (0.98   0.02   0.02) =   0.002%
          HG3   PRO   52 - HN    MET   11  40.20 +/- 4.86   0.124% *  0.6243% (0.98   0.02   0.02) =   0.001%
          HB    VAL   24 - HN    MET   11  27.83 +/- 4.76   0.426% *  0.1418% (0.22   0.02   0.02) =   0.001%
          HB2   PRO   93 - HN    MET   11  35.49 +/- 5.27   0.200% *  0.1418% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1254 (1.91, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 48.3:
          HG3   MET   11 - HN    MET   11   3.23 +/- 0.53  94.690% * 98.0251% (0.92   3.31  48.36) =  99.979%  kept
          HB3   GLU-  14 - HN    MET   11  11.66 +/- 1.44   3.002% *  0.4901% (0.76   0.02   0.02) =   0.016%
          HB3   GLN   30 - HN    MET   11  21.06 +/- 4.15   0.624% *  0.2188% (0.34   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    MET   11  23.46 +/- 5.62   0.949% *  0.1269% (0.20   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    MET   11  32.79 +/- 4.95   0.153% *  0.4405% (0.69   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    MET   11  30.89 +/- 4.50   0.187% *  0.2875% (0.45   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    MET   11  36.97 +/- 5.90   0.098% *  0.3122% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    MET   11  24.99 +/- 3.76   0.296% *  0.0990% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1255 (1.55, 8.48, 122.27 ppm):
    7 chemical-shift based assignments, quality = 0.819, support = 0.02, residual support = 0.02:
          HG2   LYS+  33 - HN    MET   11  17.94 +/- 4.51  37.501% * 22.9200% (1.00   0.02   0.02) =  51.398%  kept
          QG    LYS+  81 - HN    MET   11  29.68 +/- 7.05  14.660% * 19.1444% (0.84   0.02   0.02) =  16.783%  kept
          HD3   LYS+  74 - HN    MET   11  25.06 +/- 4.81  16.419% * 12.0587% (0.53   0.02   0.02) =  11.840%  kept
          HG2   LYS+ 106 - HN    MET   11  33.84 +/- 5.02   6.082% * 17.5161% (0.76   0.02   0.02) =   6.371%  kept
          HG    LEU  104 - HN    MET   11  29.54 +/- 6.25  12.178% *  8.6021% (0.38   0.02   0.02) =   6.264%  kept
          HB3   LYS+ 121 - HN    MET   11  33.03 +/- 6.99   9.400% *  8.6021% (0.38   0.02   0.02) =   4.835%  kept
          HB3   LYS+ 111 - HN    MET   11  40.19 +/- 4.77   3.760% * 11.1564% (0.49   0.02   0.02) =   2.508%  kept
    Distance limit 4.40 A violated in 19 structures by 11.47 A, eliminated.
    Peak unassigned.
 
    Peak 1256 (2.08, 8.37, 125.10 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 3.58, residual support = 12.0:
          HG2   MET   11 - HN    ALA   12   4.00 +/- 0.50  85.331% * 97.8369% (0.72   3.58  12.05) =  99.910%  kept
          HB2   GLU-  14 - HN    ALA   12   8.19 +/- 1.11  13.067% *  0.5453% (0.72   0.02   0.02) =   0.085%
          HG2   PRO   58 - HN    ALA   12  31.61 +/- 4.50   0.215% *  0.5357% (0.71   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    ALA   12  22.60 +/- 5.55   0.670% *  0.1520% (0.20   0.02   0.02) =   0.001%
          HG3   PRO   52 - HN    ALA   12  37.67 +/- 4.68   0.139% *  0.5357% (0.71   0.02   0.02) =   0.001%
          HB2   PRO   93 - HN    ALA   12  32.92 +/- 5.08   0.227% *  0.2247% (0.30   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    ALA   12  35.40 +/- 5.20   0.166% *  0.0957% (0.13   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA   12  35.14 +/- 4.54   0.186% *  0.0740% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1257 (1.39, 8.37, 125.10 ppm):
    13 chemical-shift based assignments, quality = 0.681, support = 2.3, residual support = 12.4:
      O   QB    ALA   12 - HN    ALA   12   2.79 +/- 0.20  96.673% * 99.1918% (0.68  10.0   2.30  12.37) =  99.997%  kept
          HG3   LYS+  33 - HN    ALA   12  16.06 +/- 3.59   1.005% *  0.0992% (0.68   1.0   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    ALA   12  23.14 +/- 4.48   0.411% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   12  21.14 +/- 4.61   0.335% *  0.0876% (0.60   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   12  23.53 +/- 4.91   0.251% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   12  24.29 +/- 3.09   0.180% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   12  21.02 +/- 3.89   0.322% *  0.0470% (0.32   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   12  29.84 +/- 6.05   0.160% *  0.0840% (0.58   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   12  26.67 +/- 6.44   0.269% *  0.0292% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   12  30.35 +/- 4.70   0.123% *  0.0636% (0.44   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   12  30.14 +/- 6.26   0.139% *  0.0431% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   12  36.54 +/- 4.65   0.051% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   12  32.74 +/- 5.12   0.081% *  0.0142% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1258 (1.39, 8.24, 114.58 ppm):
    13 chemical-shift based assignments, quality = 0.946, support = 1.76, residual support = 5.15:
          QB    ALA   12 - HN    SER   13   2.58 +/- 0.52  94.930% * 91.5357% (0.95   1.76   5.15) =  99.953%  kept
          HG3   LYS+  33 - HN    SER   13  14.52 +/- 3.50   1.107% *  1.0389% (0.95   0.02   0.02) =   0.013%
          QB    LEU   98 - HN    SER   13  21.40 +/- 4.56   1.260% *  0.7975% (0.73   0.02   0.02) =   0.012%
          HB3   LEU   73 - HN    SER   13  18.99 +/- 4.48   0.461% *  0.9173% (0.84   0.02   0.02) =   0.005%
          HG3   LYS+ 102 - HN    SER   13  27.96 +/- 6.45   0.447% *  0.8794% (0.80   0.02   0.02) =   0.005%
          HG3   LYS+  65 - HN    SER   13  21.41 +/- 4.95   0.282% *  0.9849% (0.90   0.02   0.02) =   0.003%
          HB    VAL   42 - HN    SER   13  22.13 +/- 3.38   0.225% *  0.9849% (0.90   0.02   0.02) =   0.003%
          HB3   LYS+  74 - HN    SER   13  18.94 +/- 3.62   0.395% *  0.4924% (0.45   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    SER   13  28.28 +/- 4.75   0.264% *  0.6661% (0.61   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HN    SER   13  28.04 +/- 5.95   0.207% *  0.4515% (0.41   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    SER   13  24.97 +/- 5.46   0.270% *  0.3053% (0.28   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    SER   13  34.51 +/- 4.26   0.057% *  0.7975% (0.73   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    SER   13  30.79 +/- 4.54   0.093% *  0.1486% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1259 (3.88, 8.32, 122.30 ppm):
    6 chemical-shift based assignments, quality = 0.45, support = 2.46, residual support = 6.6:
          QB    SER   13 - HN    GLU-  14   3.21 +/- 0.66  93.589% * 95.5597% (0.45   2.46   6.60) =  99.934%  kept
          HB3   SER   37 - HN    GLU-  14  13.97 +/- 5.12   3.313% *  1.0034% (0.58   0.02   0.02) =   0.037%
          HB    THR   39 - HN    GLU-  14  15.34 +/- 5.81   2.332% *  0.8252% (0.48   0.02   0.02) =   0.022%
          HB    THR  118 - HN    GLU-  14  27.03 +/- 3.64   0.224% *  1.1986% (0.70   0.02   0.02) =   0.003%
          HA    ILE   89 - HN    GLU-  14  28.03 +/- 4.60   0.208% *  1.0034% (0.58   0.02   0.02) =   0.002%
          HB3   SER   82 - HN    GLU-  14  26.32 +/- 5.96   0.334% *  0.4098% (0.24   0.02   0.02) =   0.002%
    Distance limit 4.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1260 (2.26, 8.32, 122.30 ppm):
    10 chemical-shift based assignments, quality = 0.51, support = 3.65, residual support = 36.1:
          QG    GLU-  14 - HN    GLU-  14   3.59 +/- 0.65  55.686% * 69.0912% (0.53   4.04  45.05) =  79.457%  kept
          QG    GLU-  15 - HN    GLU-  14   4.71 +/- 1.06  34.751% * 28.5706% (0.42   2.11   1.70) =  20.505%  kept
          HB2   GLU-  29 - HN    GLU-  14  15.63 +/- 3.26   2.134% *  0.3247% (0.51   0.02   0.02) =   0.014%
          QB    MET   11 - HN    GLU-  14   8.12 +/- 0.68   5.342% *  0.0885% (0.14   0.02   0.02) =   0.010%
          HB3   PHE   72 - HN    GLU-  14  16.38 +/- 3.86   0.856% *  0.3735% (0.58   0.02   0.02) =   0.007%
          QG    GLN   90 - HN    GLU-  14  26.99 +/- 5.14   0.294% *  0.4010% (0.62   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HN    GLU-  14  21.29 +/- 3.52   0.350% *  0.3247% (0.51   0.02   0.02) =   0.002%
          HG12  ILE  119 - HN    GLU-  14  26.57 +/- 3.24   0.172% *  0.4432% (0.69   0.02   0.02) =   0.002%
          HG3   MET   92 - HN    GLU-  14  30.98 +/- 4.99   0.129% *  0.2712% (0.42   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    GLU-  14  26.53 +/- 3.73   0.285% *  0.1115% (0.17   0.02   0.02) =   0.001%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1261 (2.08, 8.32, 122.30 ppm):
    8 chemical-shift based assignments, quality = 0.695, support = 3.89, residual support = 45.0:
      O   HB2   GLU-  14 - HN    GLU-  14   3.09 +/- 0.65  93.035% * 99.6047% (0.70  10.0   3.89  45.05) =  99.993%  kept
          HG2   MET   11 - HN    GLU-  14   9.51 +/- 0.94   5.459% *  0.0998% (0.70   1.0   0.02   0.02) =   0.006%
          HB2   PRO   68 - HN    GLU-  14  18.86 +/- 5.63   0.775% *  0.0278% (0.19   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU-  14  27.24 +/- 3.85   0.174% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU-  14  33.34 +/- 4.55   0.111% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLU-  14  28.67 +/- 4.24   0.170% *  0.0410% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  14  31.18 +/- 5.08   0.143% *  0.0175% (0.12   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  14  30.85 +/- 4.08   0.134% *  0.0135% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1262 (1.93, 8.32, 122.30 ppm):
    5 chemical-shift based assignments, quality = 0.625, support = 3.89, residual support = 45.0:
      O   HB3   GLU-  14 - HN    GLU-  14   3.32 +/- 0.31  94.162% * 99.6986% (0.62  10.0   3.89  45.05) =  99.995%  kept
          HG3   MET   11 - HN    GLU-  14   9.97 +/- 1.02   4.381% *  0.0807% (0.51   1.0   0.02   0.02) =   0.004%
          HB2   LEU   40 - HN    GLU-  14  18.05 +/- 4.64   0.937% *  0.0850% (0.53   1.0   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    GLU-  14  24.07 +/- 4.22   0.350% *  0.1109% (0.70   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    GLU-  14  30.93 +/- 5.29   0.169% *  0.0247% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1263 (2.20, 7.69, 115.83 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 5.6, residual support = 84.9:
          QG    GLN   17 - HN    GLN   17   3.13 +/- 0.80  84.435% * 98.8357% (1.00   5.61  84.92) =  99.958%  kept
          HB    VAL   70 - HN    GLN   17  11.37 +/- 4.19   7.193% *  0.3464% (0.98   0.02   0.02) =   0.030%
          HB2   MET   96 - HN    GLN   17  18.24 +/- 3.65   1.177% *  0.2286% (0.65   0.02   0.02) =   0.003%
          HB2   GLU-  25 - HN    GLN   17  18.46 +/- 1.53   0.653% *  0.3503% (0.99   0.02   0.02) =   0.003%
          HG2   GLU- 100 - HN    GLN   17  17.80 +/- 6.12   2.873% *  0.0787% (0.22   0.02   0.02) =   0.003%
          HB2   LYS+  38 - HN    GLN   17  14.29 +/- 4.40   2.048% *  0.0983% (0.28   0.02   0.02) =   0.002%
          HB3   ASP-  76 - HN    GLN   17  17.16 +/- 3.98   1.621% *  0.0619% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.70 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1264 (2.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.28, residual support = 81.1:
      O   HB2   GLN   17 - HN    GLN   17   3.23 +/- 0.57  56.256% * 90.2399% (0.92  10.0   5.45  84.92) =  95.503%  kept
          QB    GLU-  15 - HN    GLN   17   4.21 +/- 0.52  29.324% *  7.6953% (0.92   1.0   1.71   0.02) =   4.245%  kept
          HB    ILE   19 - HN    GLN   17   7.13 +/- 0.86   7.936% *  1.6497% (0.80   1.0   0.42   0.02) =   0.246%  kept
          HB3   PRO   68 - HN    GLN   17  14.17 +/- 5.75   1.774% *  0.0553% (0.57   1.0   0.02   0.02) =   0.002%
          HG2   PRO   68 - HN    GLN   17  14.43 +/- 4.95   1.326% *  0.0710% (0.73   1.0   0.02   0.02) =   0.002%
          HG3   GLN   30 - HN    GLN   17  10.69 +/- 2.37   2.591% *  0.0218% (0.22   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    GLN   17  19.19 +/- 1.75   0.337% *  0.0975% (1.00   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    GLN   17  23.15 +/- 4.04   0.325% *  0.0848% (0.87   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    GLN   17  28.11 +/- 3.86   0.130% *  0.0848% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1265 (1.79, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 5.27, residual support = 84.9:
      O   HB3   GLN   17 - HN    GLN   17   3.16 +/- 0.35  70.248% * 99.6298% (0.98  10.0   5.27  84.92) =  99.973%  kept
          HB2   LEU   71 - HN    GLN   17   8.67 +/- 5.90  17.266% *  0.0777% (0.76   1.0   0.02   0.02) =   0.019%
          QB    LYS+  65 - HN    GLN   17  12.87 +/- 4.59   3.588% *  0.0738% (0.73   1.0   0.02   0.02) =   0.004%
          QD    LYS+  81 - HN    GLN   17  22.86 +/- 5.18   2.838% *  0.0347% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  99 - HN    GLN   17  17.16 +/- 5.50   1.619% *  0.0381% (0.38   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HN    GLN   17  19.20 +/- 4.59   0.793% *  0.0616% (0.61   1.0   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    GLN   17  13.23 +/- 3.86   2.515% *  0.0178% (0.18   1.0   0.02   0.02) =   0.001%
          HB    VAL   43 - HN    GLN   17  16.51 +/- 2.92   0.875% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    GLN   17  25.16 +/- 4.40   0.258% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1266 (2.01, 8.66, 110.73 ppm):
    12 chemical-shift based assignments, quality = 0.975, support = 2.12, residual support = 7.78:
          QB    GLU-  15 - HN    GLY   16   2.66 +/- 0.47  74.631% * 39.3425% (0.98   1.94   5.59) =  80.926%  kept
          HB2   GLN   17 - HN    GLY   16   5.51 +/- 0.70  11.795% * 58.4611% (0.98   2.89  17.13) =  19.006%  kept
          HB    ILE   19 - HN    GLY   16   8.29 +/- 1.11   3.822% *  0.2294% (0.55   0.02   0.02) =   0.024%
          HB3   PRO   68 - HN    GLY   16  14.92 +/- 6.01   1.671% *  0.3244% (0.78   0.02   0.02) =   0.015%
          HG3   GLN   30 - HN    GLY   16  11.27 +/- 2.55   2.081% *  0.1666% (0.40   0.02   0.02) =   0.010%
          HB3   GLU- 100 - HN    GLY   16  17.74 +/- 6.63   2.447% *  0.0902% (0.22   0.02   0.02) =   0.006%
          HG2   PRO   68 - HN    GLY   16  15.19 +/- 5.18   0.949% *  0.1972% (0.47   0.02   0.02) =   0.005%
          HB2   GLN   30 - HN    GLY   16  11.16 +/- 2.26   1.991% *  0.0710% (0.17   0.02   0.02) =   0.004%
          HB3   GLU-  25 - HN    GLY   16  19.90 +/- 2.01   0.273% *  0.3832% (0.92   0.02   0.02) =   0.003%
          QB    GLU- 114 - HN    GLY   16  24.26 +/- 3.93   0.141% *  0.2621% (0.63   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    GLY   16  29.38 +/- 3.83   0.067% *  0.4015% (0.97   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    GLY   16  23.52 +/- 4.47   0.132% *  0.0710% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1267 (2.19, 8.27, 122.56 ppm):
    6 chemical-shift based assignments, quality = 0.7, support = 5.8, residual support = 50.0:
          QG    GLN   17 - HN    VAL   18   3.05 +/- 0.89  77.144% * 98.7496% (0.70   5.80  50.04) =  99.947%  kept
          HB2   MET   96 - HN    VAL   18  16.26 +/- 3.91  15.197% *  0.1169% (0.24   0.02   0.02) =   0.023%
          HB    VAL   70 - HN    VAL   18   9.75 +/- 3.78   4.181% *  0.3032% (0.62   0.02   0.02) =   0.017%
          HB2   LYS+  38 - HN    VAL   18  16.24 +/- 3.75   1.750% *  0.3220% (0.66   0.02   0.02) =   0.007%
          HB2   GLU-  25 - HN    VAL   18  17.68 +/- 1.78   0.770% *  0.3915% (0.81   0.02   0.02) =   0.004%
          HG3   GLU-  29 - HN    VAL   18  16.81 +/- 2.40   0.958% *  0.1169% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1268 (1.97, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.698, support = 4.97, residual support = 75.7:
      O   HB    VAL   18 - HN    VAL   18   2.64 +/- 0.48  74.386% * 93.7598% (0.70  10.0   4.98  75.99) =  99.468%  kept
          HB    ILE   19 - HN    VAL   18   6.69 +/- 0.49   6.100% *  5.7603% (0.21   1.0   4.01  22.77) =   0.501%  kept
          HB2   LEU   67 - HN    VAL   18   9.48 +/- 4.30  16.297% *  0.1221% (0.91   1.0   0.02   0.02) =   0.028%
          HG2   PRO   68 - HN    VAL   18  13.13 +/- 4.55   1.599% *  0.0359% (0.27   1.0   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    VAL   18  19.06 +/- 4.16   0.458% *  0.1192% (0.89   1.0   0.02   0.02) =   0.001%
          HB2   LEU  115 - HN    VAL   18  20.07 +/- 3.98   0.414% *  0.1221% (0.91   1.0   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HN    VAL   18  21.90 +/- 4.86   0.327% *  0.0579% (0.43   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    VAL   18  20.66 +/- 4.38   0.419% *  0.0226% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1269 (1.81, 8.27, 122.56 ppm):
    10 chemical-shift based assignments, quality = 0.348, support = 5.27, residual support = 48.2:
          HB3   GLN   17 - HN    VAL   18   3.31 +/- 0.69  57.669% * 82.0956% (0.33   5.46  50.04) =  96.235%  kept
          QB    LYS+  65 - HN    VAL   18   9.89 +/- 4.62  12.565% * 13.2437% (0.87   0.34   0.02) =   3.382%  kept
          HB2   LEU   71 - HN    VAL   18   9.13 +/- 4.36   9.923% *  0.7641% (0.84   0.02   0.02) =   0.154%  kept
          HB    VAL   41 - HN    VAL   18  12.21 +/- 3.54  10.459% *  0.5698% (0.62   0.02   0.02) =   0.121%  kept
          QB    LYS+  66 - HN    VAL   18  10.93 +/- 3.60   3.368% *  0.7357% (0.81   0.02   0.02) =   0.050%
          QB    LYS+ 102 - HN    VAL   18  19.22 +/- 4.64   1.615% *  0.8501% (0.93   0.02   0.02) =   0.028%
          HG    LEU  123 - HN    VAL   18  20.38 +/- 5.38   2.679% *  0.2196% (0.24   0.02   0.02) =   0.012%
          HG12  ILE  103 - HN    VAL   18  18.25 +/- 5.00   1.220% *  0.4288% (0.47   0.02   0.02) =   0.011%
          HG2   PRO   93 - HN    VAL   18  21.91 +/- 4.31   0.289% *  0.8730% (0.96   0.02   0.02) =   0.005%
          HB3   PRO   52 - HN    VAL   18  24.09 +/- 4.14   0.213% *  0.2196% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1270 (0.76, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.897, support = 5.18, residual support = 73.9:
          QG2   VAL   18 - HN    VAL   18   2.48 +/- 0.78  68.281% * 72.3116% (0.91   5.25  75.99) =  96.149%  kept
          QD1   ILE   19 - HN    VAL   18   6.19 +/- 0.75   7.238% * 26.5858% (0.51   3.47  22.77) =   3.747%  kept
          QG1   VAL   41 - HN    VAL   18  10.11 +/- 3.22  15.726% *  0.2687% (0.89   0.02   0.02) =   0.082%
          QD2   LEU  104 - HN    VAL   18  15.22 +/- 4.10   3.419% *  0.1092% (0.36   0.02   0.02) =   0.007%
          QG1   VAL   43 - HN    VAL   18  12.32 +/- 2.63   1.027% *  0.2904% (0.96   0.02   0.02) =   0.006%
          QD2   LEU   73 - HN    VAL   18   8.54 +/- 2.56   3.000% *  0.0726% (0.24   0.02   0.75) =   0.004%
          QG2   THR   46 - HN    VAL   18  13.54 +/- 3.43   0.532% *  0.2525% (0.84   0.02   0.02) =   0.003%
          HG    LEU   31 - HN    VAL   18  14.03 +/- 2.14   0.775% *  0.1092% (0.36   0.02   0.02) =   0.002%
    Distance limit 3.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1271 (0.41, 8.27, 122.56 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 2.24, residual support = 9.46:
          QB    ALA   64 - HN    VAL   18   6.88 +/- 3.89  78.924% * 99.8612% (0.84   2.25   9.46) =  99.963%  kept
          QD1   LEU  115 - HN    VAL   18  15.68 +/- 3.24  21.076% *  0.1388% (0.13   0.02   0.02) =   0.037%
    Distance limit 4.37 A violated in 8 structures by 2.83 A, kept.
 
    Peak 1272 (7.24, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.407, support = 4.0, residual support = 19.2:
          HN    PHE   59 - HN    PHE   60   2.81 +/- 0.15  52.895% * 57.7607% (0.44   4.31  19.93) =  84.803%  kept
          QE    PHE   59 - HN    THR  118   4.10 +/- 0.69  21.620% * 13.0853% (0.16   2.70  12.80) =   7.852%  kept
          QE    PHE   59 - HN    PHE   60   5.61 +/- 1.25  14.375% * 15.8234% (0.28   1.84  19.93) =   6.313%  kept
          HN    HIS  122 - HN    THR  118   7.07 +/- 0.23   3.392% * 10.5797% (0.21   1.65   3.09) =   0.996%  kept
          HN    PHE   59 - HN    THR  118   9.18 +/- 1.11   2.399% *  0.1513% (0.25   0.02  12.80) =   0.010%
          HH2   TRP   87 - HN    GLU-  15  21.70 +/- 5.10   0.628% *  0.4404% (0.73   0.02   0.02) =   0.008%
          HN    HIS  122 - HN    PHE   60  11.04 +/- 1.16   1.099% *  0.2266% (0.37   0.02   0.02) =   0.007%
          HN    LYS+  66 - HN    PHE   60   9.28 +/- 0.77   1.551% *  0.0496% (0.08   0.02   0.02) =   0.002%
          HN    HIS  122 - HN    GLU-  15  23.99 +/- 5.07   0.137% *  0.4856% (0.80   0.02   0.02) =   0.002%
          HN    PHE   59 - HN    GLU-  15  23.59 +/- 3.69   0.109% *  0.5737% (0.95   0.02   0.02) =   0.002%
          QE    PHE   59 - HN    GLU-  15  21.28 +/- 3.10   0.151% *  0.3678% (0.61   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    GLU-  15  16.87 +/- 4.35   0.435% *  0.1062% (0.18   0.02   0.02) =   0.001%
          HH2   TRP   87 - HN    PHE   60  19.60 +/- 2.05   0.174% *  0.2055% (0.34   0.02   0.02) =   0.001%
          HN    LYS+  66 - HN    THR  118  14.83 +/- 2.91   0.896% *  0.0280% (0.05   0.02   0.02) =   0.001%
          HH2   TRP   87 - HN    THR  118  21.35 +/- 2.54   0.141% *  0.1161% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1273 (7.72, 8.20, 120.98 ppm):
    18 chemical-shift based assignments, quality = 0.467, support = 5.25, residual support = 41.4:
          HN    ALA   61 - HN    PHE   60   2.77 +/- 0.24  90.974% * 95.0008% (0.47   5.25  41.42) =  99.973%  kept
          HN    ALA   61 - HN    THR  118  11.65 +/- 1.46   1.738% *  0.2045% (0.26   0.02   0.02) =   0.004%
          HN    ALA   61 - HN    GLU-  15  20.26 +/- 4.12   0.429% *  0.7753% (1.00   0.02   0.02) =   0.004%
          HN    TRP   27 - HN    GLU-  15  16.80 +/- 1.92   0.533% *  0.5925% (0.76   0.02   0.02) =   0.004%
          HN    THR   39 - HN    GLU-  15  14.00 +/- 4.66   1.607% *  0.1534% (0.20   0.02   0.02) =   0.003%
          HN    ALA   91 - HN    PHE   60  16.15 +/- 3.01   0.644% *  0.3587% (0.46   0.02   0.02) =   0.003%
          HE3   TRP   87 - HN    GLU-  15  23.93 +/- 4.64   0.333% *  0.6725% (0.87   0.02   0.02) =   0.003%
          HE3   TRP   87 - HN    PHE   60  18.75 +/- 2.54   0.402% *  0.3139% (0.40   0.02   0.02) =   0.001%
          HN    TRP   27 - HN    PHE   60  18.39 +/- 2.95   0.448% *  0.2765% (0.36   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    THR  118  17.48 +/- 2.74   0.517% *  0.2027% (0.26   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    GLU-  15  28.40 +/- 4.25   0.119% *  0.7685% (0.99   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    THR  118  19.82 +/- 2.77   0.310% *  0.1774% (0.23   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    GLU-  15  23.92 +/- 4.46   0.352% *  0.1358% (0.18   0.02   0.02) =   0.001%
          HN    TRP   27 - HN    THR  118  23.30 +/- 3.85   0.276% *  0.1563% (0.20   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    PHE   60  17.92 +/- 2.26   0.443% *  0.0634% (0.08   0.02   0.02) =   0.000%
          HN    THR   39 - HN    PHE   60  19.33 +/- 2.55   0.332% *  0.0716% (0.09   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    THR  118  20.26 +/- 2.14   0.305% *  0.0358% (0.05   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR  118  22.43 +/- 3.73   0.238% *  0.0405% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1274 (2.97, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.467, support = 4.91, residual support = 72.4:
      O   HB3   PHE   60 - HN    PHE   60   2.50 +/- 0.50  74.331% * 98.9222% (0.47  10.0   4.92  72.41) =  99.980%  kept
          HB2   ASN   35 - HN    GLU-  15  16.18 +/- 4.71  15.172% *  0.0529% (0.25   1.0   0.02   0.02) =   0.011%
          QE    LYS+ 106 - HN    PHE   60  14.79 +/- 3.04   1.894% *  0.0936% (0.44   1.0   0.02   0.02) =   0.002%
          HB3   PHE   60 - HN    THR  118  10.71 +/- 2.57   1.724% *  0.0559% (0.26   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HN    THR  118  12.83 +/- 3.40   1.809% *  0.0529% (0.25   1.0   0.02   3.06) =   0.001%
          QE    LYS+ 106 - HN    GLU-  15  23.33 +/- 4.01   0.281% *  0.2005% (0.95   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HN    THR  118  12.67 +/- 4.77   1.790% *  0.0294% (0.14   1.0   0.02   1.64) =   0.001%
          HB3   PHE   60 - HN    GLU-  15  21.14 +/- 3.57   0.235% *  0.2120% (1.00   1.0   0.02   0.02) =   0.001%
          HB3   TRP   27 - HN    GLU-  15  16.34 +/- 2.04   0.417% *  0.1032% (0.49   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HN    GLU-  15  22.07 +/- 4.15   0.377% *  0.1115% (0.53   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HN    PHE   60  14.11 +/- 3.26   0.798% *  0.0520% (0.25   1.0   0.02   0.02) =   0.001%
          HB3   TRP   27 - HN    PHE   60  15.93 +/- 2.65   0.599% *  0.0482% (0.23   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    THR  118  20.94 +/- 3.39   0.257% *  0.0272% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    PHE   60  23.26 +/- 3.56   0.206% *  0.0247% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    THR  118  26.20 +/- 3.82   0.109% *  0.0139% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1275 (3.15, 8.20, 120.98 ppm):
    6 chemical-shift based assignments, quality = 0.389, support = 4.02, residual support = 19.9:
          HB3   PHE   59 - HN    PHE   60   3.42 +/- 0.56  78.620% * 96.9832% (0.39   4.03  19.93) =  99.916%  kept
          HB3   PHE   59 - HN    THR  118   7.77 +/- 1.23  18.594% *  0.2722% (0.22   0.02  12.80) =   0.066%
          HB3   TRP   49 - HN    PHE   60  16.85 +/- 2.20   1.207% *  0.4618% (0.37   0.02   0.02) =   0.007%
          HB3   PHE   59 - HN    GLU-  15  23.51 +/- 3.67   0.348% *  1.0322% (0.84   0.02   0.02) =   0.005%
          HB3   TRP   49 - HN    THR  118  20.52 +/- 4.22   1.051% *  0.2610% (0.21   0.02   0.02) =   0.004%
          HB3   TRP   49 - HN    GLU-  15  31.50 +/- 5.08   0.181% *  0.9895% (0.80   0.02   0.02) =   0.002%
    Distance limit 3.76 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1276 (3.37, 8.20, 120.98 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 1277 (8.66, 8.17, 120.70 ppm):
    6 chemical-shift based assignments, quality = 0.168, support = 2.74, residual support = 5.09:
        T HN    SER  117 - HN    THR  118   2.74 +/- 0.16  96.824% * 97.7507% (0.17 10.00   2.74   5.09) =  99.957%  kept
        T HN    SER  117 - HN    PHE   60  10.67 +/- 1.49   2.222% *  1.7701% (0.30 10.00   0.02   0.02) =   0.042%
          HN    GLY   16 - HN    PHE   60  19.74 +/- 3.36   0.332% *  0.1969% (0.34  1.00   0.02   0.02) =   0.001%
          HN    SER   82 - HN    PHE   60  20.92 +/- 2.48   0.254% *  0.1117% (0.19  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    THR  118  23.95 +/- 4.10   0.205% *  0.1088% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    THR  118  24.81 +/- 2.77   0.164% *  0.0617% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1278 (0.24, 8.17, 120.70 ppm):
    2 chemical-shift based assignments, quality = 0.133, support = 4.52, residual support = 40.8:
          QG2   THR  118 - HN    THR  118   3.51 +/- 0.14  83.315% * 84.4615% (0.13   4.67  42.34) =  96.447%  kept
          QG2   THR  118 - HN    PHE   60   6.96 +/- 1.19  16.685% * 15.5385% (0.23   0.47   0.02) =   3.553%  kept
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1279 (3.90, 8.17, 120.70 ppm):
    6 chemical-shift based assignments, quality = 0.158, support = 4.48, residual support = 60.9:
      O   HA    PHE   60 - HN    PHE   60   2.78 +/- 0.09  22.486% * 79.0228% (0.22  10.0   4.91  72.41) =  63.514%  kept
      O   HB    THR  118 - HN    THR  118   2.09 +/- 0.10  52.441% * 18.7555% (0.05  10.0   3.76  42.34) =  35.157%  kept
          QB    SER  117 - HN    THR  118   2.86 +/- 0.32  22.509% *  1.6214% (0.03   1.0   3.12   5.09) =   1.304%  kept
          HB    THR  118 - HN    PHE   60   8.63 +/- 1.49   1.208% *  0.5379% (0.09   1.0   0.32   0.02) =   0.023%
          HA    PHE   60 - HN    THR  118   9.90 +/- 2.11   0.763% *  0.0436% (0.12   1.0   0.02   0.02) =   0.001%
          QB    SER  117 - HN    PHE   60  11.03 +/- 1.63   0.592% *  0.0188% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1280 (3.69, 8.17, 120.70 ppm):
    14 chemical-shift based assignments, quality = 0.144, support = 4.65, residual support = 43.1:
      O   HA    THR  118 - HN    THR  118   2.86 +/- 0.03  62.650% * 70.8872% (0.14  10.0   4.63  42.34) =  93.495%  kept
          HA    ILE  119 - HN    THR  118   5.04 +/- 0.12  11.559% * 22.8853% (0.17   1.0   5.50  62.44) =   5.569%  kept
          HD3   PRO   58 - HN    PHE   60   4.99 +/- 0.55  13.418% *  2.5287% (0.06   1.0   1.72   0.02) =   0.714%  kept
          HA    ILE  119 - HN    PHE   60   8.01 +/- 1.01   3.787% *  2.3929% (0.30   1.0   0.32   0.02) =   0.191%  kept
          HA    THR  118 - HN    PHE   60  10.76 +/- 1.42   1.557% *  0.6885% (0.26   1.0   0.11   0.02) =   0.023%
          HA    VAL   75 - HN    PHE   60  12.00 +/- 2.65   1.523% *  0.0630% (0.13   1.0   0.02   0.02) =   0.002%
          HA2   GLY  109 - HN    THR  118  11.89 +/- 2.87   1.470% *  0.0416% (0.08   1.0   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    PHE   60  16.33 +/- 1.90   0.433% *  0.1403% (0.28   1.0   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    PHE   60  14.87 +/- 3.19   0.789% *  0.0753% (0.15   1.0   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    PHE   60  17.30 +/- 2.38   0.347% *  0.1087% (0.22   1.0   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    THR  118  20.08 +/- 3.84   0.313% *  0.0775% (0.16   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    THR  118  17.66 +/- 3.34   0.645% *  0.0348% (0.07   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    THR  118  11.08 +/- 1.45   1.294% *  0.0162% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    THR  118  20.08 +/- 2.32   0.216% *  0.0600% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (4.35, 8.18, 120.93 ppm):
    18 chemical-shift based assignments, quality = 0.987, support = 4.0, residual support = 19.9:
      O   HA    PHE   59 - HN    PHE   60   3.54 +/- 0.11  48.933% * 98.7483% (0.99  10.0   4.01  19.93) =  99.760%  kept
          HA    ILE   56 - HN    PHE   60   6.02 +/- 1.03  13.482% *  0.7511% (0.15   1.0   0.98   3.32) =   0.209%  kept
          HA    PHE   59 - HN    THR  118   8.78 +/- 1.45  10.560% *  0.0796% (0.80   1.0   0.02  12.80) =   0.017%
          HA    ASP- 113 - HN    THR  118   7.06 +/- 0.48   6.575% *  0.0484% (0.48   1.0   0.02   0.02) =   0.007%
          HA    ASP- 113 - HN    PHE   60  12.10 +/- 1.83   1.636% *  0.0600% (0.60   1.0   0.02   0.02) =   0.002%
          HA    ASN   35 - HN    GLU-  15  15.52 +/- 4.93  11.318% *  0.0069% (0.07   1.0   0.02   0.02) =   0.002%
          HA    ILE   56 - HN    THR  118  10.33 +/- 1.06   2.238% *  0.0123% (0.12   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLU-  15  18.84 +/- 6.15   2.418% *  0.0109% (0.11   1.0   0.02   0.02) =   0.001%
          HA    TRP   87 - HN    PHE   60  19.87 +/- 2.80   0.409% *  0.0600% (0.60   1.0   0.02   0.02) =   0.001%
          HA    TRP   87 - HN    THR  118  20.99 +/- 2.82   0.277% *  0.0484% (0.48   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   60  18.51 +/- 2.71   0.428% *  0.0275% (0.28   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU-  15  22.19 +/- 3.83   0.257% *  0.0393% (0.39   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    THR  118  18.82 +/- 3.88   0.449% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU-  15  26.06 +/- 4.64   0.249% *  0.0239% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   60  21.70 +/- 3.22   0.331% *  0.0173% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    THR  118  24.64 +/- 3.80   0.213% *  0.0140% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU-  15  30.91 +/- 4.55   0.094% *  0.0239% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  15  26.74 +/- 3.26   0.132% *  0.0061% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.36 A, kept.
 
    Peak 1283 (3.91, 8.18, 120.93 ppm):
    15 chemical-shift based assignments, quality = 0.925, support = 4.82, residual support = 68.9:
      O   HA    PHE   60 - HN    PHE   60   2.78 +/- 0.09  47.064% * 94.2159% (0.96  10.0   4.91  72.41) =  94.772%  kept
          QB    SER  117 - HN    THR  118   2.86 +/- 0.32  44.469% *  5.4948% (0.36   1.0   3.12   5.09) =   5.223%  kept
          HA    PHE   60 - HN    THR  118   9.90 +/- 2.11   1.673% *  0.0759% (0.77   1.0   0.02   0.02) =   0.003%
          QB    SER  117 - HN    PHE   60  11.03 +/- 1.63   1.113% *  0.0438% (0.44   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    THR  118   7.51 +/- 0.49   2.617% *  0.0138% (0.14   1.0   0.02   5.64) =   0.001%
          HB    THR   94 - HN    PHE   60  12.05 +/- 2.40   0.905% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    PHE   60  13.27 +/- 1.59   0.486% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   60  13.62 +/- 1.20   0.452% *  0.0171% (0.17   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    GLU-  15  20.28 +/- 3.28   0.161% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    THR  118  13.68 +/- 1.68   0.471% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR  118  18.04 +/- 2.78   0.256% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLU-  15  25.41 +/- 4.62   0.096% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLU-  15  25.34 +/- 5.55   0.101% *  0.0068% (0.07   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLU-  15  24.60 +/- 3.61   0.092% *  0.0053% (0.05   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    GLU-  15  30.52 +/- 4.90   0.044% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1286 (2.26, 8.18, 120.93 ppm):
    30 chemical-shift based assignments, quality = 0.551, support = 4.0, residual support = 34.8:
          HG12  ILE  119 - HN    THR  118   4.23 +/- 0.47  15.490% * 55.3840% (0.72   5.43  62.44) =  51.337%  kept
          QG    GLU-  15 - HN    GLU-  15   3.28 +/- 0.71  31.778% * 11.8555% (0.32   2.64  10.14) =  22.544%  kept
          QG    GLU-  14 - HN    GLU-  15   3.61 +/- 0.82  26.401% * 13.9829% (0.36   2.70   1.70) =  22.090%  kept
          HG12  ILE  119 - HN    PHE   60   6.63 +/- 1.05   5.088% *  5.9684% (0.89   0.47   0.02) =   1.817%  kept
          HB2   ASP-  44 - HN    PHE   60   8.00 +/- 2.59   5.639% *  3.8696% (0.89   0.31   2.23) =   1.306%  kept
          HB2   ASP- 105 - HN    THR  118  10.28 +/- 5.80   6.761% *  1.1539% (0.11   0.75   4.24) =   0.467%  kept
          HB3   PHE   72 - HN    PHE   60  11.08 +/- 2.16   1.362% *  4.7103% (0.96   0.35   8.81) =   0.384%  kept
          HB2   ASP-  44 - HN    THR  118  13.05 +/- 2.58   0.801% *  0.2039% (0.72   0.02   0.02) =   0.010%
          QG    GLN   90 - HN    PHE   60  16.90 +/- 3.11   0.420% *  0.2796% (0.98   0.02   0.02) =   0.007%
          HB3   PHE   72 - HN    THR  118  16.09 +/- 3.20   0.494% *  0.2194% (0.77   0.02   0.02) =   0.006%
          HG3   MET   92 - HN    PHE   60  14.67 +/- 3.19   0.594% *  0.1160% (0.41   0.02   0.02) =   0.004%
          QB    MET   11 - HN    GLU-  15  10.20 +/- 1.50   1.606% *  0.0383% (0.13   0.02   0.02) =   0.004%
          HB3   PHE   72 - HN    GLU-  15  14.46 +/- 3.55   0.477% *  0.1083% (0.38   0.02   0.02) =   0.003%
          QG    GLN   90 - HN    THR  118  18.53 +/- 2.43   0.228% *  0.2254% (0.79   0.02   0.02) =   0.003%
          QG    GLU-  15 - HN    PHE   60  19.54 +/- 2.69   0.200% *  0.2259% (0.79   0.02   0.02) =   0.003%
          QG    GLU-  14 - HN    PHE   60  20.47 +/- 3.53   0.173% *  0.2604% (0.91   0.02   0.02) =   0.003%
          HG3   MET   92 - HN    THR  118  16.67 +/- 2.97   0.390% *  0.0935% (0.33   0.02   0.02) =   0.002%
          HB2   ASP- 105 - HN    PHE   60  14.04 +/- 3.35   0.639% *  0.0382% (0.13   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    GLU-  15  15.65 +/- 2.34   0.412% *  0.0590% (0.21   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    THR  118  23.25 +/- 3.28   0.118% *  0.1821% (0.64   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    THR  118  24.61 +/- 3.91   0.095% *  0.2099% (0.74   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    PHE   60  22.14 +/- 3.08   0.116% *  0.1484% (0.52   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    GLU-  15  19.57 +/- 3.11   0.158% *  0.1006% (0.35   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    GLU-  15  24.49 +/- 3.81   0.109% *  0.1006% (0.35   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    GLU-  15  25.86 +/- 4.91   0.099% *  0.1112% (0.39   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    THR  118  26.69 +/- 3.32   0.064% *  0.1196% (0.42   0.02   0.02) =   0.000%
          QB    MET   11 - HN    PHE   60  27.29 +/- 3.53   0.073% *  0.0962% (0.34   0.02   0.02) =   0.000%
          QB    MET   11 - HN    THR  118  30.71 +/- 4.29   0.055% *  0.0776% (0.27   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  15  29.45 +/- 4.54   0.048% *  0.0461% (0.16   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  15  24.73 +/- 3.95   0.112% *  0.0152% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1287 (1.99, 8.18, 120.93 ppm):
    30 chemical-shift based assignments, quality = 0.147, support = 1.71, residual support = 8.77:
      O   QB    GLU-  15 - HN    GLU-  15   2.97 +/- 0.34  48.740% * 43.9438% (0.06  10.0   1.86  10.14) =  86.437%  kept
          HG3   PRO   58 - HN    PHE   60   6.30 +/- 0.47   5.702% * 30.8172% (0.89   1.0   0.89   0.02) =   7.091%  kept
          QB    GLU- 114 - HN    THR  118   5.68 +/- 0.66   8.488% * 15.9487% (0.48   1.0   0.85   0.02) =   5.463%  kept
          HB2   LEU  115 - HN    THR  118   5.67 +/- 0.36   8.011% *  2.1954% (0.69   1.0   0.08   0.02) =   0.710%  kept
          HB2   LEU  115 - HN    PHE   60   8.26 +/- 1.34   3.684% *  0.6696% (0.86   1.0   0.02   0.02) =   0.100%
          QB    GLU- 114 - HN    PHE   60  11.36 +/- 1.81   1.929% *  0.4682% (0.60   1.0   0.02   0.02) =   0.036%
          HG3   PRO   58 - HN    THR  118  11.72 +/- 2.22   1.266% *  0.5579% (0.72   1.0   0.02   0.02) =   0.029%
          HB2   GLN   17 - HN    GLU-  15   5.66 +/- 0.85  10.159% *  0.0474% (0.06   1.0   0.02   0.02) =   0.019%
          HB    ILE   19 - HN    GLU-  15   9.53 +/- 1.34   1.992% *  0.2109% (0.27   1.0   0.02   0.02) =   0.017%
          HG2   PRO   68 - HN    PHE   60  14.07 +/- 2.18   0.646% *  0.5899% (0.76   1.0   0.02   0.02) =   0.015%
          HB2   LEU   67 - HN    PHE   60  11.78 +/- 1.62   0.978% *  0.3758% (0.48   1.0   0.02   0.02) =   0.015%
          HB    VAL   18 - HN    PHE   60  13.39 +/- 3.82   1.227% *  0.1925% (0.25   1.0   0.02   0.27) =   0.010%
          HG2   PRO   68 - HN    THR  118  17.93 +/- 4.61   0.493% *  0.4754% (0.61   1.0   0.02   0.02) =   0.009%
          HB    ILE   19 - HN    PHE   60  16.33 +/- 2.46   0.382% *  0.5303% (0.68   1.0   0.02   0.02) =   0.008%
          HB2   LEU   67 - HN    THR  118  16.61 +/- 3.22   0.510% *  0.3028% (0.39   1.0   0.02   0.02) =   0.006%
          HB2   LEU   67 - HN    GLU-  15  15.07 +/- 4.31   1.034% *  0.1494% (0.19   1.0   0.02   0.02) =   0.006%
          HG2   PRO   68 - HN    GLU-  15  17.36 +/- 5.02   0.532% *  0.2346% (0.30   1.0   0.02   0.02) =   0.005%
          HB    VAL   18 - HN    GLU-  15  10.18 +/- 0.90   1.403% *  0.0766% (0.10   1.0   0.02   0.02) =   0.004%
          HB    ILE   19 - HN    THR  118  21.33 +/- 3.24   0.226% *  0.4273% (0.55   1.0   0.02   0.02) =   0.004%
          HB    VAL   18 - HN    THR  118  18.57 +/- 4.91   0.544% *  0.1551% (0.20   1.0   0.02   0.02) =   0.003%
          HB2   GLN   17 - HN    PHE   60  17.10 +/- 3.89   0.672% *  0.1191% (0.15   1.0   0.02   0.02) =   0.003%
          HB3   GLU-  25 - HN    PHE   60  22.56 +/- 3.27   0.146% *  0.2146% (0.28   1.0   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    GLU-  15  25.72 +/- 4.19   0.110% *  0.2753% (0.35   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    THR  118  21.91 +/- 4.68   0.281% *  0.0960% (0.12   1.0   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    PHE   60  19.64 +/- 3.01   0.224% *  0.1191% (0.15   1.0   0.02   0.02) =   0.001%
          HB2   LEU  115 - HN    GLU-  15  26.96 +/- 3.53   0.089% *  0.2663% (0.34   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    GLU-  15  26.52 +/- 4.02   0.111% *  0.1862% (0.24   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    GLU-  15  20.59 +/- 2.39   0.188% *  0.0854% (0.11   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    THR  118  27.29 +/- 4.40   0.091% *  0.1730% (0.22   1.0   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    THR  118  23.31 +/- 3.62   0.143% *  0.0960% (0.12   1.0   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1288 (1.69, 8.20, 120.98 ppm):
    30 chemical-shift based assignments, quality = 0.11, support = 2.04, residual support = 3.16:
          QG1   ILE   56 - HN    PHE   60   4.19 +/- 1.07  35.764% * 44.8470% (0.09   2.16   3.32) =  94.511%  kept
          HB2   LEU   73 - HN    PHE   60  12.65 +/- 3.38   6.021% *  2.0277% (0.45   0.02   2.22) =   0.719%  kept
          QD    LYS+ 106 - HN    PHE   60  13.85 +/- 3.29   6.642% *  1.7550% (0.39   0.02   0.02) =   0.687%  kept
          HG3   PRO   93 - HN    PHE   60  11.64 +/- 3.52   5.685% *  1.6057% (0.36   0.02   0.02) =   0.538%  kept
          HB2   LEU   73 - HN    GLU-  15  14.78 +/- 3.91   1.512% *  4.3447% (0.97   0.02   0.02) =   0.387%  kept
          QD    LYS+  99 - HN    GLU-  15  17.96 +/- 6.22   1.717% *  3.6049% (0.80   0.02   0.02) =   0.365%  kept
          HB3   MET   92 - HN    PHE   60  13.20 +/- 3.01   2.879% *  2.1011% (0.47   0.02   0.02) =   0.356%  kept
          HB2   LEU  123 - HN    THR  118   8.93 +/- 0.65   4.765% *  0.9507% (0.21   0.02   0.02) =   0.267%  kept
          QD    LYS+  38 - HN    GLU-  15  15.61 +/- 4.18   4.471% *  1.0023% (0.22   0.02   0.02) =   0.264%  kept
          QD    LYS+ 106 - HN    THR  118  12.04 +/- 3.58   3.919% *  0.9917% (0.22   0.02   3.06) =   0.229%  kept
          HD2   LYS+ 111 - HN    THR  118  10.99 +/- 1.40   3.044% *  1.1638% (0.26   0.02   0.02) =   0.209%  kept
          HB2   LEU  123 - HN    PHE   60  13.19 +/- 1.44   2.005% *  1.6825% (0.37   0.02   0.02) =   0.199%  kept
          HD2   LYS+ 111 - HN    PHE   60  15.21 +/- 1.94   1.320% *  2.0595% (0.46   0.02   0.02) =   0.160%  kept
          HB2   LEU  123 - HN    GLU-  15  26.13 +/- 6.32   0.634% *  3.6049% (0.80   0.02   0.02) =   0.135%  kept
          QG1   ILE   56 - HN    THR  118   7.73 +/- 1.07   8.711% *  0.2350% (0.05   0.02   0.02) =   0.121%  kept
          HG3   PRO   93 - HN    THR  118  13.01 +/- 3.01   2.216% *  0.9074% (0.20   0.02   0.02) =   0.119%  kept
          QD    LYS+ 106 - HN    GLU-  15  22.72 +/- 4.32   0.518% *  3.7604% (0.84   0.02   0.02) =   0.115%  kept
          HB3   MET   92 - HN    THR  118  15.10 +/- 2.65   1.548% *  1.1873% (0.26   0.02   0.02) =   0.108%  kept
          QD    LYS+  99 - HN    PHE   60  17.42 +/- 3.37   0.889% *  1.6825% (0.37   0.02   0.02) =   0.088%
          QD    LYS+ 102 - HN    GLU-  15  22.67 +/- 4.80   0.557% *  2.5488% (0.57   0.02   0.02) =   0.084%
          HB2   LEU   73 - HN    THR  118  18.29 +/- 4.06   1.052% *  1.1459% (0.25   0.02   0.02) =   0.071%
          QD    LYS+  99 - HN    THR  118  16.98 +/- 4.43   1.169% *  0.9507% (0.21   0.02   0.02) =   0.065%
          HB3   MET   92 - HN    GLU-  15  28.31 +/- 4.23   0.182% *  4.5020% (1.00   0.02   0.02) =   0.048%
          HG3   PRO   93 - HN    GLU-  15  28.64 +/- 4.29   0.174% *  3.4406% (0.76   0.02   0.02) =   0.035%
          QD    LYS+ 102 - HN    PHE   60  20.87 +/- 2.49   0.414% *  1.1896% (0.26   0.02   0.02) =   0.029%
          HD2   LYS+ 111 - HN    GLU-  15  33.16 +/- 3.69   0.107% *  4.4129% (0.98   0.02   0.02) =   0.028%
          QD    LYS+ 102 - HN    THR  118  19.32 +/- 3.03   0.570% *  0.6722% (0.15   0.02   0.02) =   0.023%
          QG1   ILE   56 - HN    GLU-  15  22.64 +/- 3.09   0.309% *  0.8909% (0.20   0.02   0.02) =   0.016%
          QD    LYS+  38 - HN    PHE   60  20.19 +/- 3.80   0.508% *  0.4678% (0.10   0.02   0.02) =   0.014%
          QD    LYS+  38 - HN    THR  118  22.20 +/- 4.08   0.698% *  0.2643% (0.06   0.02   0.02) =   0.011%
    Distance limit 4.35 A violated in 0 structures by 0.24 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1289 (1.41, 8.20, 120.98 ppm):
    33 chemical-shift based assignments, quality = 0.247, support = 2.63, residual support = 40.5:
          QB    ALA   61 - HN    PHE   60   4.30 +/- 0.23  32.729% * 72.7413% (0.25   2.69  41.42) =  97.823%  kept
          HG12  ILE   19 - HN    GLU-  15   8.25 +/- 1.52   6.285% *  1.8425% (0.84   0.02   0.02) =   0.476%  kept
          QB    ALA   12 - HN    GLU-  15   6.84 +/- 1.20  10.950% *  0.8279% (0.38   0.02   0.02) =   0.372%  kept
          HD3   LYS+ 121 - HN    THR  118   7.93 +/- 1.42   8.022% *  0.5370% (0.24   0.02   5.64) =   0.177%  kept
          HB3   LYS+  74 - HN    PHE   60  11.15 +/- 3.02   3.247% *  0.9233% (0.42   0.02   0.02) =   0.123%  kept
          QB    LEU   98 - HN    GLU-  15  18.25 +/- 4.40   2.064% *  1.4270% (0.65   0.02   0.02) =   0.121%  kept
          QB    ALA  110 - HN    THR  118   9.70 +/- 1.76   5.198% *  0.4446% (0.20   0.02   0.02) =   0.095%
          QB    ALA  110 - HN    PHE   60  11.25 +/- 2.41   2.551% *  0.7868% (0.36   0.02   0.02) =   0.082%
          HB3   LYS+  74 - HN    GLU-  15  15.21 +/- 2.75   0.945% *  1.9783% (0.90   0.02   0.02) =   0.077%
          HD3   LYS+ 121 - HN    PHE   60  12.74 +/- 1.44   1.557% *  0.9503% (0.43   0.02   0.02) =   0.061%
          QB    ALA   61 - HN    GLU-  15  16.23 +/- 4.19   1.246% *  1.1606% (0.53   0.02   0.02) =   0.059%
          HG    LEU   80 - HN    GLU-  15  21.82 +/- 5.69   0.864% *  1.6018% (0.73   0.02   0.02) =   0.057%
          HB2   LEU   80 - HN    GLU-  15  22.05 +/- 4.77   0.628% *  2.1864% (0.99   0.02   0.02) =   0.056%
          HB3   LEU   67 - HN    GLU-  15  15.09 +/- 4.56   1.588% *  0.8279% (0.38   0.02   0.02) =   0.054%
          HB3   LYS+  74 - HN    THR  118  17.21 +/- 4.21   1.668% *  0.5217% (0.24   0.02   0.02) =   0.036%
          QG    LYS+  66 - HN    PHE   60   9.88 +/- 1.66   3.655% *  0.2292% (0.10   0.02   0.02) =   0.034%
          HB3   LEU   67 - HN    PHE   60  11.35 +/- 1.76   2.149% *  0.3864% (0.18   0.02   0.02) =   0.034%
          QB    ALA   61 - HN    THR  118  11.34 +/- 1.29   2.469% *  0.3061% (0.14   0.02   0.02) =   0.031%
          HD3   LYS+ 121 - HN    GLU-  15  23.95 +/- 4.99   0.302% *  2.0363% (0.92   0.02   0.02) =   0.025%
          HB2   LEU   80 - HN    PHE   60  18.27 +/- 3.25   0.547% *  1.0204% (0.46   0.02   0.02) =   0.023%
          QB    LEU   98 - HN    PHE   60  15.34 +/- 1.65   0.837% *  0.6660% (0.30   0.02   0.02) =   0.023%
          HG12  ILE   19 - HN    PHE   60  16.81 +/- 2.16   0.647% *  0.8599% (0.39   0.02   0.02) =   0.023%
          QG    LYS+  66 - HN    GLU-  15  16.27 +/- 3.80   1.116% *  0.4911% (0.22   0.02   0.02) =   0.023%
          QG    LYS+  66 - HN    THR  118  13.84 +/- 3.92   3.846% *  0.1295% (0.06   0.02   0.02) =   0.020%
          HG    LEU   80 - HN    PHE   60  19.25 +/- 3.97   0.533% *  0.7476% (0.34   0.02   0.02) =   0.016%
          QB    LEU   98 - HN    THR  118  15.39 +/- 3.00   0.929% *  0.3763% (0.17   0.02   0.02) =   0.014%
          HB2   LEU   80 - HN    THR  118  22.57 +/- 3.53   0.576% *  0.5766% (0.26   0.02   0.02) =   0.014%
          QB    ALA  110 - HN    GLU-  15  25.89 +/- 3.28   0.187% *  1.6858% (0.76   0.02   0.02) =   0.013%
          HG    LEU   80 - HN    THR  118  23.66 +/- 4.08   0.707% *  0.4224% (0.19   0.02   0.02) =   0.012%
          HB3   LEU   67 - HN    THR  118  16.43 +/- 3.64   1.075% *  0.2183% (0.10   0.02   0.02) =   0.010%
          HG12  ILE   19 - HN    THR  118  21.53 +/- 3.16   0.353% *  0.4859% (0.22   0.02   0.02) =   0.007%
          QB    ALA   12 - HN    PHE   60  22.98 +/- 3.11   0.285% *  0.3864% (0.18   0.02   0.02) =   0.005%
          QB    ALA   12 - HN    THR  118  26.28 +/- 4.56   0.245% *  0.2183% (0.10   0.02   0.02) =   0.002%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1291 (1.28, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.894, support = 3.69, residual support = 25.1:
      O   QB    ALA   34 - HN    ALA   34   2.05 +/- 0.07  76.756% * 97.8483% (0.89  10.0   3.70  25.14) =  99.908%  kept
          QG2   THR   77 - HN    LEU   80   6.14 +/- 1.28   4.055% *  1.4607% (0.20   1.0   1.34   0.56) =   0.079%
          HG3   LYS+  38 - HN    LEU   80  24.22 +/- 6.62   7.456% *  0.0514% (0.47   1.0   0.02   0.02) =   0.005%
          QG2   THR   23 - HN    LEU   80  10.79 +/- 4.34   2.007% *  0.0969% (0.89   1.0   0.02   0.74) =   0.003%
          QG2   THR   39 - HN    ALA   34   6.86 +/- 1.27   2.879% *  0.0303% (0.28   1.0   0.02   5.35) =   0.001%
          QB    ALA   34 - HN    LEU   80  15.36 +/- 3.71   0.976% *  0.0876% (0.80   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    ALA   34   9.03 +/- 1.12   1.413% *  0.0574% (0.52   1.0   0.02   0.02) =   0.001%
          QG2   ILE   56 - HN    LEU   80  15.91 +/- 3.08   0.619% *  0.0710% (0.65   1.0   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    ALA   34  12.62 +/- 1.35   0.399% *  0.1081% (0.99   1.0   0.02   0.02) =   0.001%
          QG2   THR   77 - HN    ALA   34  15.70 +/- 4.09   1.545% *  0.0243% (0.22   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    LEU   80  17.26 +/- 4.34   0.908% *  0.0272% (0.25   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  20.46 +/- 3.49   0.280% *  0.0792% (0.72   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   80  12.02 +/- 2.41   0.566% *  0.0272% (0.25   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ALA   34  20.68 +/- 2.73   0.142% *  0.0303% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1292 (4.12, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.56, support = 3.56, residual support = 25.7:
      O   HA    ALA   34 - HN    ALA   34   2.74 +/- 0.04  71.426% * 77.6666% (0.56  10.0   3.50  25.14) =  95.463%  kept
          HA    LYS+  81 - HN    LEU   80   4.77 +/- 0.48  14.835% * 16.3475% (0.47   1.0   5.06  40.00) =   4.173%  kept
          HA    GLU-  36 - HN    ALA   34   7.02 +/- 0.13   4.277% *  4.7486% (0.41   1.0   1.68   0.32) =   0.350%  kept
          HA    ASN   28 - HN    ALA   34   7.85 +/- 0.29   3.105% *  0.1048% (0.76   1.0   0.02   0.02) =   0.006%
          HA    ALA   34 - HN    LEU   80  19.55 +/- 4.87   1.335% *  0.0696% (0.51   1.0   0.02   0.02) =   0.002%
          HA    ASN   28 - HN    LEU   80  15.55 +/- 4.66   0.835% *  0.0939% (0.68   1.0   0.02   1.11) =   0.001%
          HA1   GLY  101 - HN    ALA   34  14.51 +/- 5.90   1.144% *  0.0515% (0.37   1.0   0.02   0.02) =   0.001%
          HA    ARG+  54 - HN    LEU   80  18.68 +/- 4.03   0.479% *  0.1204% (0.88   1.0   0.02   0.02) =   0.001%
          HA    GLU-  36 - HN    LEU   80  24.71 +/- 6.12   0.630% *  0.0505% (0.37   1.0   0.02   0.02) =   0.001%
          HA    LYS+  81 - HN    ALA   34  21.36 +/- 4.90   0.340% *  0.0722% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  20.49 +/- 3.11   0.245% *  0.0892% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  25.76 +/- 4.40   0.161% *  0.1345% (0.98   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  21.70 +/- 5.81   0.435% *  0.0461% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  26.93 +/- 5.65   0.131% *  0.1266% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  23.36 +/- 2.66   0.145% *  0.0996% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  30.19 +/- 4.45   0.092% *  0.1134% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  23.73 +/- 4.27   0.291% *  0.0306% (0.22   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  26.42 +/- 3.05   0.095% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1293 (4.00, 8.08, 121.56 ppm):
    22 chemical-shift based assignments, quality = 0.961, support = 7.2, residual support = 40.0:
      O   HA    LYS+  33 - HN    ALA   34   3.56 +/- 0.07  39.656% * 88.4750% (0.99  10.0   7.35  42.00) =  95.265%  kept
          HA    GLN   32 - HN    ALA   34   4.40 +/- 0.41  21.729% *  7.0504% (0.34   1.0   4.63   0.65) =   4.160%  kept
          HB2   SER   82 - HN    LEU   80   7.14 +/- 0.71   5.562% *  2.1358% (0.85   1.0   0.56   0.35) =   0.323%  kept
          HA    GLU-  29 - HN    ALA   34   6.81 +/- 0.75   6.536% *  0.8977% (0.99   1.0   0.20   0.02) =   0.159%  kept
          HA    VAL   18 - HN    ALA   34  10.74 +/- 2.59   4.543% *  0.5923% (0.98   1.0   0.14   0.02) =   0.073%
          HB2   SER   37 - HN    ALA   34   6.49 +/- 1.13   8.785% *  0.0156% (0.17   1.0   0.02   0.53) =   0.004%
          HA    VAL   70 - HN    ALA   34  11.47 +/- 2.08   1.750% *  0.0715% (0.80   1.0   0.02   0.02) =   0.003%
          HA    SER   48 - HN    LEU   80  12.55 +/- 4.23   2.194% *  0.0485% (0.54   1.0   0.02   0.02) =   0.003%
          HA    VAL   18 - HN    LEU   80  16.24 +/- 3.38   1.083% *  0.0784% (0.88   1.0   0.02   0.02) =   0.002%
          HA    LYS+  33 - HN    LEU   80  21.47 +/- 5.18   0.548% *  0.0792% (0.89   1.0   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    LEU   80  17.67 +/- 4.59   2.513% *  0.0158% (0.18   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    LEU   80  18.64 +/- 4.41   0.441% *  0.0792% (0.89   1.0   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    LEU   80  12.64 +/- 1.31   1.156% *  0.0300% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    ALA   34  21.52 +/- 6.03   0.330% *  0.0844% (0.94   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    LEU   80  19.33 +/- 3.12   0.393% *  0.0640% (0.72   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    LEU   80  21.91 +/- 5.60   1.272% *  0.0140% (0.16   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  22.35 +/- 3.76   0.243% *  0.0640% (0.72   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  23.93 +/- 4.12   0.285% *  0.0541% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  22.67 +/- 3.98   0.343% *  0.0335% (0.37   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  24.50 +/- 2.93   0.145% *  0.0715% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  20.84 +/- 4.71   0.330% *  0.0273% (0.30   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  27.29 +/- 3.83   0.163% *  0.0177% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1294 (1.37, 8.08, 121.56 ppm):
    30 chemical-shift based assignments, quality = 0.756, support = 5.6, residual support = 40.9:
          HG3   LYS+  33 - HN    ALA   34   2.86 +/- 0.69  61.369% * 83.5046% (0.76   5.72  42.00) =  97.460%  kept
          QB    ALA   84 - HN    LEU   80   5.51 +/- 0.68  12.529% * 10.2495% (0.54   0.99   0.02) =   2.442%  kept
          HB3   LEU   73 - HN    ALA   34  10.85 +/- 2.33   2.220% *  0.3429% (0.89   0.02   0.02) =   0.014%
          HB3   LEU   73 - HN    LEU   80  12.16 +/- 2.52   1.538% *  0.3071% (0.80   0.02   0.02) =   0.009%
          HB    VAL   42 - HN    ALA   34  11.61 +/- 1.31   1.259% *  0.3193% (0.83   0.02   0.02) =   0.008%
          HG    LEU   98 - HN    ALA   34  13.60 +/- 4.45   1.633% *  0.1861% (0.49   0.02   0.02) =   0.006%
          HB3   PRO   93 - HN    LEU   80  14.99 +/- 3.48   1.260% *  0.2215% (0.58   0.02   0.02) =   0.005%
          HB    VAL   42 - HN    LEU   80  16.18 +/- 2.43   0.968% *  0.2860% (0.75   0.02   0.02) =   0.005%
          QB    ALA   12 - HN    ALA   34  14.43 +/- 3.10   1.581% *  0.1435% (0.37   0.02   0.02) =   0.004%
          HG3   LYS+ 102 - HN    ALA   34  18.17 +/- 5.79   0.636% *  0.3529% (0.92   0.02   0.02) =   0.004%
          HG3   LYS+  65 - HN    LEU   80  17.51 +/- 3.66   0.707% *  0.2860% (0.75   0.02   0.02) =   0.004%
          QB    LEU   98 - HN    LEU   80  15.17 +/- 3.91   3.150% *  0.0600% (0.16   0.02   0.02) =   0.004%
          HG    LEU   98 - HN    LEU   80  17.10 +/- 4.17   1.074% *  0.1667% (0.44   0.02   0.02) =   0.003%
          QB    LEU   98 - HN    ALA   34  12.08 +/- 3.86   2.439% *  0.0670% (0.17   0.02   0.02) =   0.003%
          HG3   LYS+  33 - HN    LEU   80  19.25 +/- 4.69   0.622% *  0.2617% (0.68   0.02   0.02) =   0.003%
          QB    ALA   84 - HN    ALA   34  17.45 +/- 3.65   0.696% *  0.2319% (0.61   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    LEU   80  17.68 +/- 2.88   0.454% *  0.3417% (0.89   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    ALA   34  18.37 +/- 2.58   0.387% *  0.3815% (1.00   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HN    LEU   80  12.25 +/- 2.29   1.581% *  0.0854% (0.22   0.02   0.02) =   0.003%
          HG3   LYS+ 102 - HN    LEU   80  23.36 +/- 4.82   0.389% *  0.3161% (0.82   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HN    LEU   80  22.15 +/- 4.29   0.362% *  0.3305% (0.86   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HN    ALA   34  18.43 +/- 2.59   0.339% *  0.3193% (0.83   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HN    ALA   34  16.42 +/- 2.31   0.761% *  0.0953% (0.25   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    ALA   34  22.62 +/- 3.68   0.203% *  0.2473% (0.65   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    ALA   34  27.69 +/- 3.63   0.115% *  0.3690% (0.96   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    LEU   80  21.72 +/- 4.89   0.328% *  0.1285% (0.34   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    ALA   34  16.72 +/- 2.54   0.538% *  0.0670% (0.17   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    LEU   80  17.07 +/- 2.04   0.460% *  0.0600% (0.16   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LEU   80  25.60 +/- 3.70   0.213% *  0.1285% (0.34   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    ALA   34  22.94 +/- 4.79   0.189% *  0.1435% (0.37   0.02   0.02) =   0.001%
    Distance limit 3.35 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1295 (1.87, 8.08, 121.56 ppm):
    26 chemical-shift based assignments, quality = 0.732, support = 5.41, residual support = 39.5:
          QB    LYS+  33 - HN    ALA   34   3.30 +/- 0.40  46.996% * 47.0054% (0.72   5.93  42.00) =  74.836%  kept
          QB    LYS+  81 - HN    LEU   80   4.94 +/- 0.47  15.753% * 37.5974% (0.78   4.43  40.00) =  20.064%  kept
          HB3   GLN   30 - HN    ALA   34   5.63 +/- 0.81  12.020% * 12.2057% (0.69   1.63   1.69) =   4.970%  kept
          HB3   GLN   90 - HN    LEU   80  12.06 +/- 3.31   8.663% *  0.1566% (0.72   0.02   0.02) =   0.046%
          HB3   LYS+  38 - HN    ALA   34   9.02 +/- 0.89   3.223% *  0.1895% (0.87   0.02   0.02) =   0.021%
          HB3   LYS+  38 - HN    LEU   80  23.72 +/- 6.04   2.928% *  0.1697% (0.78   0.02   0.02) =   0.017%
          HB2   MET   92 - HN    LEU   80  13.79 +/- 4.53   2.036% *  0.1029% (0.47   0.02   0.02) =   0.007%
          HB3   GLN   30 - HN    LEU   80  15.13 +/- 4.03   0.818% *  0.1344% (0.61   0.02   0.02) =   0.004%
          HB    ILE   56 - HN    LEU   80  19.57 +/- 3.46   0.515% *  0.1888% (0.86   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HN    LEU   80  19.90 +/- 4.88   0.872% *  0.1108% (0.51   0.02   0.02) =   0.003%
          HG3   PRO   68 - HN    ALA   34  17.40 +/- 2.98   0.869% *  0.1063% (0.49   0.02   0.02) =   0.003%
          HB3   GLN   90 - HN    ALA   34  24.02 +/- 4.33   0.503% *  0.1749% (0.80   0.02   0.02) =   0.003%
          QB    LYS+  33 - HN    LEU   80  18.02 +/- 4.58   0.597% *  0.1421% (0.65   0.02   0.02) =   0.003%
          QB    LYS+  81 - HN    ALA   34  20.43 +/- 4.76   0.440% *  0.1895% (0.87   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    LEU   80  16.73 +/- 2.18   0.459% *  0.1754% (0.80   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    ALA   34  17.99 +/- 2.64   0.397% *  0.1959% (0.89   0.02   0.02) =   0.003%
          HB    ILE   56 - HN    ALA   34  24.48 +/- 3.73   0.293% *  0.2108% (0.96   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    ALA   34  18.21 +/- 3.30   0.453% *  0.1325% (0.61   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    ALA   34  17.56 +/- 4.22   0.474% *  0.1149% (0.52   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    LEU   80  19.98 +/- 3.64   0.323% *  0.1029% (0.47   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    LEU   80  20.75 +/- 2.75   0.243% *  0.1187% (0.54   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    ALA   34  24.61 +/- 3.59   0.230% *  0.1149% (0.52   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    LEU   80  20.31 +/- 4.04   0.355% *  0.0667% (0.30   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    ALA   34  27.66 +/- 4.47   0.168% *  0.1237% (0.56   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    LEU   80  22.52 +/- 2.60   0.171% *  0.0952% (0.44   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    ALA   34  23.17 +/- 3.02   0.202% *  0.0745% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.34 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1296 (4.83, 8.09, 121.65 ppm):
    10 chemical-shift based assignments, quality = 0.527, support = 7.28, residual support = 80.1:
      O   HA    LEU   80 - HN    LEU   80   2.58 +/- 0.30  74.146% * 73.9987% (0.50  10.0   7.57  85.37) =  93.372%  kept
          HA    ASP-  78 - HN    LEU   80   5.01 +/- 1.16  16.045% * 23.5996% (0.94   1.0   3.36   6.16) =   6.444%  kept
          HA    THR   23 - HN    LEU   80  11.14 +/- 6.00   5.331% *  1.9787% (0.85   1.0   0.31   0.74) =   0.180%  kept
          HB    THR   23 - HN    LEU   80  12.79 +/- 5.63   2.419% *  0.0528% (0.36   1.0   0.02   0.74) =   0.002%
          HA    THR   23 - HN    ALA   34  14.87 +/- 1.05   0.457% *  0.1043% (0.70   1.0   0.02   0.02) =   0.001%
          HA    ASP-  78 - HN    ALA   34  22.00 +/- 4.47   0.360% *  0.1160% (0.78   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HN    ALA   34  14.83 +/- 1.43   0.490% *  0.0436% (0.29   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    ALA   34  19.48 +/- 5.65   0.340% *  0.0612% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ALA   34  19.47 +/- 3.36   0.259% *  0.0204% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LEU   80  21.51 +/- 2.50   0.154% *  0.0246% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1297 (4.26, 8.09, 121.65 ppm):
    20 chemical-shift based assignments, quality = 0.754, support = 5.56, residual support = 49.0:
      O   HA    GLU-  79 - HN    LEU   80   3.42 +/- 0.34  56.242% * 96.4551% (0.76  10.0   5.59  49.37) =  99.280%  kept
          HB    THR   77 - HN    LEU   80   6.66 +/- 1.71  15.166% *  2.4962% (0.29   1.0   1.34   0.56) =   0.693%  kept
          HA    THR   39 - HN    ALA   34   8.44 +/- 0.98   4.461% *  0.0864% (0.68   1.0   0.02   5.35) =   0.007%
          HB    THR   77 - HN    ALA   34  20.04 +/- 5.48  10.898% *  0.0307% (0.24   1.0   0.02   0.02) =   0.006%
          HA    THR   39 - HN    LEU   80  21.07 +/- 5.12   1.469% *  0.1045% (0.82   1.0   0.02   0.02) =   0.003%
          HA1   GLY   51 - HN    LEU   80  19.08 +/- 4.65   1.052% *  0.1139% (0.89   1.0   0.02   0.02) =   0.002%
          HA    ALA   57 - HN    LEU   80  17.84 +/- 3.86   0.832% *  0.1181% (0.93   1.0   0.02   0.02) =   0.002%
          HA    SER   85 - HN    LEU   80  10.82 +/- 0.64   2.013% *  0.0372% (0.29   1.0   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    ALA   34  22.04 +/- 3.61   0.693% *  0.0976% (0.77   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    LEU   80  12.41 +/- 2.11   1.592% *  0.0300% (0.24   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    ALA   34  20.14 +/- 3.69   0.515% *  0.0798% (0.63   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ALA   34  15.25 +/- 4.39   0.962% *  0.0409% (0.32   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    ALA   34  15.95 +/- 2.03   1.224% *  0.0248% (0.20   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    LEU   80  19.25 +/- 3.57   0.489% *  0.0495% (0.39   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    LEU   80  24.86 +/- 4.44   0.697% *  0.0335% (0.26   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA   34  28.80 +/- 4.02   0.180% *  0.0942% (0.74   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   34  22.63 +/- 4.53   0.510% *  0.0307% (0.24   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   34  19.40 +/- 3.85   0.553% *  0.0222% (0.17   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   80  28.25 +/- 6.61   0.252% *  0.0268% (0.21   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   34  25.84 +/- 3.63   0.199% *  0.0277% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1298 (2.15, 8.09, 121.65 ppm):
    12 chemical-shift based assignments, quality = 0.783, support = 5.55, residual support = 45.6:
          HB3   GLU-  79 - HN    LEU   80   3.34 +/- 0.74  55.219% * 74.9266% (0.79   5.88  49.37) =  92.351%  kept
          QB    GLU-  36 - HN    ALA   34   5.41 +/- 0.54  16.508% * 18.8550% (0.70   1.67   0.32) =   6.948%  kept
          HB3   GLU-  29 - HN    ALA   34   7.57 +/- 1.14   8.524% *  2.5538% (0.78   0.20   0.02) =   0.486%  kept
          HG3   GLU-  29 - HN    ALA   34   9.71 +/- 0.93   3.208% *  1.9561% (0.60   0.20   0.02) =   0.140%  kept
          HB2   GLN   90 - HN    LEU   80  12.39 +/- 3.23   6.976% *  0.2817% (0.87   0.02   0.02) =   0.044%
          HB2   LYS+  38 - HN    ALA   34   8.56 +/- 0.66   4.402% *  0.0779% (0.24   0.02   0.02) =   0.008%
          QB    GLU-  36 - HN    LEU   80  21.09 +/- 5.56   1.190% *  0.2736% (0.85   0.02   0.02) =   0.007%
          HB3   GLU-  79 - HN    ALA   34  18.65 +/- 4.01   1.346% *  0.2107% (0.65   0.02   0.02) =   0.006%
          HB3   GLU-  29 - HN    LEU   80  18.86 +/- 4.37   0.483% *  0.3044% (0.94   0.02   0.02) =   0.003%
          HB2   LYS+  38 - HN    LEU   80  24.19 +/- 6.29   1.376% *  0.0942% (0.29   0.02   0.02) =   0.003%
          HG3   GLU-  29 - HN    LEU   80  18.30 +/- 4.39   0.551% *  0.2332% (0.72   0.02   0.02) =   0.003%
          HB2   GLN   90 - HN    ALA   34  24.29 +/- 4.30   0.218% *  0.2329% (0.72   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1300 (8.37, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.799, support = 4.77, residual support = 21.2:
        T HN    ASN   35 - HN    ALA   34   2.76 +/- 0.15  97.135% * 98.7794% (0.80 10.00   4.77  21.18) =  99.994%  kept
        T HN    ASN   35 - HN    LEU   80  21.00 +/- 4.95   0.520% *  0.8847% (0.72 10.00   0.02   0.02) =   0.005%
          HN    ALA   12 - HN    ALA   34  17.93 +/- 3.47   0.528% *  0.1223% (0.99  1.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    LEU   80  26.82 +/- 6.19   0.241% *  0.1095% (0.89  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  16.63 +/- 2.65   0.562% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  17.17 +/- 2.77   0.549% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  21.52 +/- 3.58   0.303% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  25.26 +/- 2.82   0.164% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1301 (7.29, 8.08, 121.56 ppm):
    10 chemical-shift based assignments, quality = 0.891, support = 5.35, residual support = 39.9:
          HN    LYS+  81 - HN    LEU   80   3.36 +/- 0.55  73.034% * 95.0141% (0.89   5.36  40.00) =  99.844%  kept
          HE3   TRP   27 - HN    LEU   80  12.93 +/- 4.13   1.988% *  3.5364% (0.20   0.89   5.84) =   0.101%  kept
          QD    PHE   60 - HN    ALA   34  15.05 +/- 2.66   5.206% *  0.3175% (0.80   0.02   0.02) =   0.024%
          HE3   TRP   27 - HN    ALA   34   7.95 +/- 0.88   8.324% *  0.0883% (0.22   0.02   0.02) =   0.011%
          QD    PHE   55 - HN    LEU   80  19.74 +/- 4.46   7.206% *  0.0622% (0.16   0.02   0.02) =   0.006%
          QD    PHE   60 - HN    LEU   80  14.04 +/- 2.75   1.537% *  0.2844% (0.72   0.02   0.02) =   0.006%
          HN    LYS+  81 - HN    ALA   34  21.30 +/- 5.34   0.824% *  0.3956% (1.00   0.02   0.02) =   0.005%
          HN    LYS+  66 - HN    ALA   34  17.39 +/- 2.49   0.940% *  0.1224% (0.31   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    LEU   80  18.44 +/- 1.99   0.660% *  0.1096% (0.28   0.02   0.02) =   0.001%
          QD    PHE   55 - HN    ALA   34  25.10 +/- 3.06   0.282% *  0.0694% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1302 (3.85, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.741, support = 1.67, residual support = 1.79:
          HA    GLN   30 - HN    ALA   34   4.29 +/- 1.11  37.327% * 40.6306% (0.80   1.87   1.69) =  69.988%  kept
          HB3   SER   37 - HN    ALA   34   6.62 +/- 1.13  13.348% * 17.9954% (0.45   1.48   0.53) =  11.085%  kept
          HB    THR   39 - HN    ALA   34   7.43 +/- 1.62   8.409% * 24.7163% (0.61   1.50   5.35) =   9.592%  kept
          HB3   SER   82 - HN    LEU   80   6.61 +/- 0.61  15.378% * 12.6862% (0.82   0.56   0.35) =   9.003%  kept
          HB    THR   39 - HN    LEU   80  19.97 +/- 5.36   5.683% *  0.2952% (0.54   0.02   0.02) =   0.077%
          HD3   PRO   52 - HN    LEU   80  18.77 +/- 4.91   2.380% *  0.4221% (0.78   0.02   0.02) =   0.046%
          HA    ILE   89 - HN    LEU   80  11.60 +/- 1.90   3.850% *  0.2182% (0.40   0.02   0.02) =   0.039%
          QB    SER   13 - HN    ALA   34  13.75 +/- 3.23   2.294% *  0.3515% (0.65   0.02   0.02) =   0.037%
          HB3   SER   37 - HN    LEU   80  22.29 +/- 5.89   3.685% *  0.2182% (0.40   0.02   0.02) =   0.037%
          HA    GLN   30 - HN    LEU   80  17.39 +/- 4.17   1.149% *  0.3897% (0.72   0.02   0.02) =   0.021%
          HB3   SER   82 - HN    ALA   34  21.19 +/- 5.64   0.719% *  0.5016% (0.92   0.02   0.02) =   0.017%
          HB2   CYS   53 - HN    LEU   80  16.34 +/- 3.69   1.795% *  0.1826% (0.34   0.02   0.02) =   0.015%
          QB    SER   13 - HN    LEU   80  21.94 +/- 4.86   1.005% *  0.3148% (0.58   0.02   0.02) =   0.015%
          HA    ILE   89 - HN    ALA   34  21.05 +/- 3.37   1.072% *  0.2436% (0.45   0.02   0.02) =   0.012%
          HB2   CYS   53 - HN    ALA   34  24.72 +/- 3.94   0.700% *  0.2039% (0.37   0.02   0.02) =   0.007%
          HD3   PRO   52 - HN    ALA   34  28.59 +/- 3.78   0.265% *  0.4713% (0.87   0.02   0.02) =   0.006%
          HB    THR  118 - HN    LEU   80  21.03 +/- 3.01   0.556% *  0.0751% (0.14   0.02   0.02) =   0.002%
          HB    THR  118 - HN    ALA   34  22.25 +/- 2.94   0.383% *  0.0838% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.50 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1303 (3.60, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.743, support = 2.68, residual support = 9.46:
          HA    LEU   31 - HN    ALA   34   3.22 +/- 0.53  63.217% * 90.6069% (0.76   2.78   9.89) =  95.358%  kept
          HA    THR   77 - HN    LEU   80   4.95 +/- 1.63  32.673% *  8.4901% (0.34   0.59   0.56) =   4.618%  kept
          HA    THR   77 - HN    ALA   34  18.68 +/- 4.55   3.546% *  0.3198% (0.37   0.02   0.02) =   0.019%
          HA    LEU   31 - HN    LEU   80  17.50 +/- 4.08   0.564% *  0.5833% (0.68   0.02   0.02) =   0.005%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1304 (4.85, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.393, support = 3.24, residual support = 6.04:
          HA    ASP-  78 - HN    LEU   80   5.01 +/- 1.16  43.094% * 85.9660% (0.40   3.36   6.16) =  95.743%  kept
          HA    THR   23 - HN    LEU   80  11.14 +/- 6.00  25.697% *  3.5398% (0.18   0.31   0.74) =   2.351%  kept
          HA    VAL   41 - HN    ALA   34   8.82 +/- 1.41   7.474% *  7.8141% (0.17   0.70   8.31) =   1.509%  kept
          HA    PHE   45 - HN    LEU   80   9.87 +/- 2.96   8.650% *  0.7832% (0.61   0.02   0.02) =   0.175%  kept
          HA    PHE   45 - HN    ALA   34  17.90 +/- 3.20   7.224% *  0.8745% (0.69   0.02   0.02) =   0.163%  kept
          HA    VAL   41 - HN    LEU   80  16.24 +/- 3.49   4.855% *  0.1997% (0.16   0.02   0.02) =   0.025%
          HA    ASP-  78 - HN    ALA   34  22.00 +/- 4.47   1.679% *  0.5707% (0.45   0.02   0.02) =   0.025%
          HA    THR   23 - HN    ALA   34  14.87 +/- 1.05   1.327% *  0.2519% (0.20   0.02   0.02) =   0.009%
    Distance limit 4.11 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1305 (2.91, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.7, support = 4.49, residual support = 19.6:
          QE    LYS+  33 - HN    ALA   34   4.77 +/- 0.79  31.784% * 33.4590% (0.52   5.69  42.00) =  40.908%  kept
          HB2   ASP-  78 - HN    LEU   80   5.53 +/- 0.99  21.321% * 41.7596% (0.88   4.26   6.16) =  34.249%  kept
          HB2   ASP-  76 - HN    LEU   80   5.31 +/- 1.08  27.263% * 23.6134% (0.75   2.82   1.34) =  24.764%  kept
          HB2   ASP-  76 - HN    ALA   34  18.17 +/- 3.66   2.969% *  0.1867% (0.83   0.02   0.02) =   0.021%
          HB2   ASP-  78 - HN    ALA   34  21.63 +/- 4.29   1.577% *  0.2191% (0.98   0.02   0.02) =   0.013%
          HB2   ASN   28 - HN    ALA   34   9.57 +/- 0.49   3.699% *  0.0919% (0.41   0.02   0.02) =   0.013%
          HB2   ASN   69 - HN    ALA   34  15.06 +/- 2.76   1.598% *  0.1623% (0.72   0.02   0.02) =   0.010%
          QE    LYS+  33 - HN    LEU   80  17.99 +/- 4.62   1.364% *  0.1053% (0.47   0.02   0.02) =   0.006%
          HB2   ASN   28 - HN    LEU   80  16.24 +/- 4.85   1.575% *  0.0823% (0.37   0.02   1.11) =   0.005%
          HB2   ASP-  86 - HN    LEU   80   9.89 +/- 0.74   3.596% *  0.0271% (0.12   0.02   0.02) =   0.004%
          QE    LYS+  65 - HN    LEU   80  16.14 +/- 4.16   1.540% *  0.0557% (0.25   0.02   0.02) =   0.003%
          HB2   ASN   69 - HN    LEU   80  23.03 +/- 3.87   0.396% *  0.1454% (0.65   0.02   0.02) =   0.002%
          QE    LYS+  65 - HN    ALA   34  18.08 +/- 2.32   0.601% *  0.0621% (0.28   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    ALA   34  18.84 +/- 4.95   0.717% *  0.0302% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.31 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1306 (2.33, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.434, support = 5.65, residual support = 48.6:
          HB2   GLU-  79 - HN    LEU   80   2.86 +/- 0.54  67.556% * 85.9640% (0.44   5.73  49.37) =  98.418%  kept
          HG3   GLU-  36 - HN    ALA   34   7.33 +/- 1.10   8.631% *  9.6070% (0.34   0.82   0.32) =   1.405%  kept
          HG2   PRO   52 - HN    LEU   80  18.23 +/- 5.10  13.673% *  0.5350% (0.78   0.02   0.02) =   0.124%  kept
          HG2   MET   92 - HN    LEU   80  13.64 +/- 5.14   3.600% *  0.2104% (0.30   0.02   0.02) =   0.013%
          HG3   GLU-  25 - HN    LEU   80  16.50 +/- 5.54   1.143% *  0.6045% (0.88   0.02   0.02) =   0.012%
          HG3   GLU-  36 - HN    LEU   80  24.57 +/- 6.41   2.383% *  0.2104% (0.30   0.02   0.02) =   0.008%
          HG3   GLU-  25 - HN    ALA   34  15.12 +/- 1.32   0.558% *  0.6749% (0.98   0.02   0.02) =   0.006%
          HB2   GLU-  79 - HN    ALA   34  18.68 +/- 4.06   0.609% *  0.3352% (0.49   0.02   0.02) =   0.003%
          HG2   PRO   52 - HN    ALA   34  27.45 +/- 3.89   0.309% *  0.5973% (0.87   0.02   0.02) =   0.003%
          HB2   PRO   58 - HN    LEU   80  19.84 +/- 4.15   0.417% *  0.2315% (0.34   0.02   0.02) =   0.002%
          QG    GLU- 114 - HN    LEU   80  19.31 +/- 3.61   0.345% *  0.2535% (0.37   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    ALA   34  25.01 +/- 3.77   0.321% *  0.2349% (0.34   0.02   0.02) =   0.001%
          HB2   PRO   58 - HN    ALA   34  22.98 +/- 2.93   0.251% *  0.2584% (0.37   0.02   0.02) =   0.001%
          QG    GLU- 114 - HN    ALA   34  22.74 +/- 2.22   0.204% *  0.2831% (0.41   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1307 (2.14, 8.08, 121.56 ppm):
    16 chemical-shift based assignments, quality = 0.742, support = 5.39, residual support = 43.0:
          HB3   GLU-  79 - HN    LEU   80   3.34 +/- 0.74  38.612% * 66.8525% (0.78   5.88  49.37) =  86.823%  kept
          QB    GLU-  36 - HN    ALA   34   5.41 +/- 0.54  11.051% * 19.5310% (0.80   1.67   0.32) =   7.259%  kept
          QB    GLN   32 - HN    ALA   34   4.70 +/- 0.22  16.716% *  8.4827% (0.17   3.31   0.65) =   4.769%  kept
          HB    VAL   24 - HN    LEU   80  10.84 +/- 6.62  11.835% *  1.9786% (0.20   0.68   4.33) =   0.788%  kept
          HB3   GLU-  29 - HN    ALA   34   7.57 +/- 1.14   5.459% *  1.4454% (0.49   0.20   0.02) =   0.265%  kept
          HG3   GLU-  29 - HN    ALA   34   9.71 +/- 0.93   2.102% *  0.5200% (0.17   0.20   0.02) =   0.037%
          HG3   GLU- 100 - HN    ALA   34  13.75 +/- 6.73   4.191% *  0.1425% (0.49   0.02   0.02) =   0.020%
          HB2   GLN   90 - HN    LEU   80  12.39 +/- 3.23   4.907% *  0.0809% (0.28   0.02   0.02) =   0.013%
          HB3   GLU-  79 - HN    ALA   34  18.65 +/- 4.01   0.973% *  0.2539% (0.87   0.02   0.02) =   0.008%
          HG3   GLU- 100 - HN    LEU   80  23.31 +/- 5.64   1.460% *  0.1276% (0.44   0.02   0.02) =   0.006%
          QB    GLU-  36 - HN    LEU   80  21.09 +/- 5.56   0.867% *  0.2099% (0.72   0.02   0.02) =   0.006%
          HB    VAL   24 - HN    ALA   34  14.05 +/- 0.72   0.637% *  0.0652% (0.22   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    LEU   80  18.86 +/- 4.37   0.302% *  0.1276% (0.44   0.02   0.02) =   0.001%
          QB    GLN   32 - HN    LEU   80  18.23 +/- 4.34   0.389% *  0.0459% (0.16   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    LEU   80  18.30 +/- 4.39   0.341% *  0.0459% (0.16   0.02   0.02) =   0.001%
          HB2   GLN   90 - HN    ALA   34  24.29 +/- 4.30   0.158% *  0.0903% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1308 (0.43, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.692, support = 0.153, residual support = 0.289:
          QG1   VAL   75 - HN    LEU   80   6.34 +/- 1.35  65.679% * 68.9682% (0.68   0.16   0.31) =  92.963%  kept
          QG1   VAL   75 - HN    ALA   34  12.61 +/- 2.77  17.675% *  9.4327% (0.76   0.02   0.02) =   3.422%  kept
          QD1   LEU  115 - HN    LEU   80  15.98 +/- 3.07  11.379% * 10.2052% (0.82   0.02   0.02) =   2.383%  kept
          QD1   LEU  115 - HN    ALA   34  19.33 +/- 3.22   5.268% * 11.3939% (0.92   0.02   0.02) =   1.232%  kept
    Distance limit 4.68 A violated in 11 structures by 1.54 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 1309 (0.57, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.333, support = 6.5, residual support = 81.0:
          QD2   LEU   80 - HN    LEU   80   3.63 +/- 0.72  33.264% * 54.9185% (0.40   6.47  85.37) =  65.847%  kept
          QD1   LEU   80 - HN    LEU   80   3.75 +/- 0.98  28.297% * 27.9740% (0.18   7.47  85.37) =  28.533%  kept
          QG2   VAL   41 - HN    ALA   34   6.41 +/- 1.99  10.816% * 13.9008% (0.34   1.93   8.31) =   5.420%  kept
          QD1   LEU   73 - HN    ALA   34   8.09 +/- 2.53   5.354% *  0.3529% (0.83   0.02   0.02) =   0.068%
          QG2   VAL   41 - HN    LEU   80  13.16 +/- 3.60   9.061% *  0.1291% (0.30   0.02   0.02) =   0.042%
          QD1   LEU   73 - HN    LEU   80  10.77 +/- 2.34   1.826% *  0.3161% (0.75   0.02   0.02) =   0.021%
          QD1   LEU   63 - HN    ALA   34  14.08 +/- 2.74   1.092% *  0.3529% (0.83   0.02   0.02) =   0.014%
          QD2   LEU   63 - HN    ALA   34  14.09 +/- 2.78   0.738% *  0.3789% (0.89   0.02   0.02) =   0.010%
          QD2   LEU   98 - HN    ALA   34  10.86 +/- 4.04   2.396% *  0.0836% (0.20   0.02   0.02) =   0.007%
          QD2   LEU   80 - HN    ALA   34  15.21 +/- 5.41   0.904% *  0.1894% (0.45   0.02   0.02) =   0.006%
          QD1   LEU   63 - HN    LEU   80  14.58 +/- 1.88   0.521% *  0.3161% (0.75   0.02   0.02) =   0.006%
          QD2   LEU   63 - HN    LEU   80  15.05 +/- 1.95   0.479% *  0.3394% (0.80   0.02   0.02) =   0.006%
          QD1   LEU  104 - HN    ALA   34  12.57 +/- 3.51   1.499% *  0.1054% (0.25   0.02   0.02) =   0.006%
          QD2   LEU   98 - HN    LEU   80  13.34 +/- 3.84   1.609% *  0.0749% (0.18   0.02   0.02) =   0.004%
          QD2   LEU  115 - HN    ALA   34  19.42 +/- 2.89   0.453% *  0.2057% (0.49   0.02   0.02) =   0.003%
          QD1   LEU   80 - HN    ALA   34  15.82 +/- 5.81   0.920% *  0.0836% (0.20   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    LEU   80  16.56 +/- 2.92   0.409% *  0.1842% (0.44   0.02   0.02) =   0.003%
          QD1   LEU  104 - HN    LEU   80  17.77 +/- 3.06   0.362% *  0.0944% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1310 (0.82, 8.08, 121.56 ppm):
    6 chemical-shift based assignments, quality = 0.678, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HN    ALA   34  21.88 +/- 3.54  14.110% * 31.5414% (1.00   0.02   0.02) =  29.194%  kept
          QD2   LEU  123 - HN    LEU   80  22.19 +/- 3.59  14.724% * 28.2508% (0.89   0.02   0.02) =  27.287%  kept
          HG3   LYS+ 121 - HN    ALA   34  22.28 +/- 4.99  14.984% * 14.1725% (0.45   0.02   0.02) =  13.931%  kept
          HB3   LEU  104 - HN    ALA   34  17.05 +/- 4.31  28.987% *  7.0378% (0.22   0.02   0.02) =  13.382%  kept
          HG3   LYS+ 121 - HN    LEU   80  24.74 +/- 3.78  11.834% * 12.6939% (0.40   0.02   0.02) =   9.854%  kept
          HB3   LEU  104 - HN    LEU   80  22.18 +/- 3.19  15.360% *  6.3036% (0.20   0.02   0.02) =   6.351%  kept
    Distance limit 4.49 A violated in 20 structures by 9.61 A, eliminated.
    Peak unassigned.
 
    Peak 1311 (1.87, 8.09, 121.65 ppm):
    26 chemical-shift based assignments, quality = 0.778, support = 5.47, residual support = 40.6:
          QB    LYS+  33 - HN    ALA   34   3.30 +/- 0.40  46.996% * 46.7733% (0.74   5.93  42.00) =  73.972%  kept
          QB    LYS+  81 - HN    LEU   80   4.94 +/- 0.47  15.753% * 44.6074% (0.94   4.43  40.00) =  23.647%  kept
          HB3   GLN   30 - HN    ALA   34   5.63 +/- 0.81  12.020% *  5.5799% (0.32   1.63   1.69) =   2.257%  kept
          HB3   GLN   90 - HN    LEU   80  12.06 +/- 3.31   8.663% *  0.1978% (0.93   0.02   0.02) =   0.058%
          HB3   LYS+  38 - HN    LEU   80  23.72 +/- 6.04   2.928% *  0.1224% (0.57   0.02   0.02) =   0.012%
          HB3   LYS+  38 - HN    ALA   34   9.02 +/- 0.89   3.223% *  0.1012% (0.47   0.02   0.02) =   0.011%
          HG2   ARG+  54 - HN    LEU   80  19.90 +/- 4.88   0.872% *  0.1685% (0.79   0.02   0.02) =   0.005%
          HB2   MET   92 - HN    LEU   80  13.79 +/- 4.53   2.036% *  0.0561% (0.26   0.02   0.02) =   0.004%
          QB    LYS+  33 - HN    LEU   80  18.02 +/- 4.58   0.597% *  0.1909% (0.89   0.02   0.02) =   0.004%
          HG3   PRO   68 - HN    ALA   34  17.40 +/- 2.98   0.869% *  0.1275% (0.60   0.02   0.02) =   0.004%
          QB    LYS+ 106 - HN    LEU   80  16.73 +/- 2.18   0.459% *  0.2018% (0.95   0.02   0.02) =   0.003%
          HB3   GLN   90 - HN    ALA   34  24.02 +/- 4.33   0.503% *  0.1635% (0.77   0.02   0.02) =   0.003%
          HB    ILE   56 - HN    LEU   80  19.57 +/- 3.46   0.515% *  0.1542% (0.72   0.02   0.02) =   0.003%
          QB    LYS+  81 - HN    ALA   34  20.43 +/- 4.76   0.440% *  0.1665% (0.78   0.02   0.02) =   0.002%
          HB3   GLN   30 - HN    LEU   80  15.13 +/- 4.03   0.818% *  0.0830% (0.39   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    ALA   34  17.99 +/- 2.64   0.397% *  0.1668% (0.78   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    ALA   34  18.21 +/- 3.30   0.453% *  0.1447% (0.68   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    ALA   34  17.56 +/- 4.22   0.474% *  0.1336% (0.63   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    LEU   80  19.98 +/- 3.64   0.323% *  0.1616% (0.76   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    LEU   80  20.75 +/- 2.75   0.243% *  0.1750% (0.82   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    ALA   34  24.48 +/- 3.73   0.293% *  0.1275% (0.60   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    LEU   80  22.52 +/- 2.60   0.171% *  0.1542% (0.72   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    ALA   34  27.66 +/- 4.47   0.168% *  0.1394% (0.65   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    LEU   80  20.31 +/- 4.04   0.355% *  0.0311% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  24.61 +/- 3.59   0.230% *  0.0464% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  23.17 +/- 3.02   0.202% *  0.0257% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1312 (1.29, 8.09, 121.65 ppm):
    12 chemical-shift based assignments, quality = 0.247, support = 3.67, residual support = 24.9:
      O   QB    ALA   34 - HN    ALA   34   2.05 +/- 0.07  83.309% * 81.6722% (0.24  10.0   3.70  25.14) =  98.863%  kept
          QG2   THR   77 - HN    LEU   80   6.14 +/- 1.28   4.470% * 17.2060% (0.76   1.0   1.34   0.56) =   1.118%  kept
          QG2   THR   23 - HN    LEU   80  10.79 +/- 4.34   2.169% *  0.2070% (0.61   1.0   0.02   0.74) =   0.007%
          QG2   THR   77 - HN    ALA   34  15.70 +/- 4.09   1.681% *  0.2119% (0.63   1.0   0.02   0.02) =   0.005%
          HG2   LYS+  38 - HN    LEU   80  23.89 +/- 6.60   2.830% *  0.0494% (0.15   1.0   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    LEU   80  15.36 +/- 3.71   1.057% *  0.0988% (0.29   1.0   0.02   0.02) =   0.002%
          HG2   LYS+  38 - HN    ALA   34   7.97 +/- 1.34   2.341% *  0.0408% (0.12   1.0   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    ALA   34  12.62 +/- 1.35   0.433% *  0.1712% (0.51   1.0   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    LEU   80  11.99 +/- 1.15   0.489% *  0.1316% (0.39   1.0   0.02   0.02) =   0.001%
          QG2   ILE   56 - HN    LEU   80  15.91 +/- 3.08   0.669% *  0.0560% (0.17   1.0   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    ALA   34  18.87 +/- 2.99   0.221% *  0.1088% (0.32   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  20.46 +/- 3.49   0.330% *  0.0463% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1313 (1.43, 8.09, 121.65 ppm):
    28 chemical-shift based assignments, quality = 0.443, support = 6.17, residual support = 85.3:
      O   HB2   LEU   80 - HN    LEU   80   3.27 +/- 0.60  44.918% * 49.6303% (0.26  10.0   5.87  85.37) =  63.488%  kept
          HG    LEU   80 - HN    LEU   80   4.27 +/- 0.79  26.725% * 47.8683% (0.76   1.0   6.70  85.37) =  36.433%  kept
          HG12  ILE   19 - HN    ALA   34   8.62 +/- 2.37   5.300% *  0.1014% (0.54   1.0   0.02   0.02) =   0.015%
          HG    LEU   73 - HN    ALA   34   9.63 +/- 2.98   3.474% *  0.1233% (0.65   1.0   0.02   0.02) =   0.012%
          HB3   LEU   67 - HN    ALA   34  14.36 +/- 2.49   1.543% *  0.1473% (0.78   1.0   0.02   0.02) =   0.006%
          QG    LYS+  66 - HN    ALA   34  17.34 +/- 3.30   1.504% *  0.1424% (0.75   1.0   0.02   0.02) =   0.006%
          HG12  ILE   19 - HN    LEU   80  16.57 +/- 3.79   1.584% *  0.1226% (0.65   1.0   0.02   0.02) =   0.006%
          HG    LEU   40 - HN    ALA   34  10.62 +/- 2.17   3.556% *  0.0503% (0.27   1.0   0.02   0.53) =   0.005%
          HG    LEU   73 - HN    LEU   80  13.24 +/- 2.62   1.165% *  0.1491% (0.79   1.0   0.02   0.02) =   0.005%
          QB    ALA   61 - HN    LEU   80  13.60 +/- 3.10   0.862% *  0.1689% (0.89   1.0   0.02   0.02) =   0.004%
          QB    ALA   61 - HN    ALA   34  15.24 +/- 2.13   0.695% *  0.1396% (0.74   1.0   0.02   0.02) =   0.003%
          HG    LEU   80 - HN    ALA   34  18.55 +/- 5.93   0.611% *  0.1182% (0.63   1.0   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    LEU   80  18.35 +/- 2.29   0.372% *  0.1723% (0.91   1.0   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ALA   34  17.43 +/- 5.71   0.553% *  0.1072% (0.57   1.0   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    LEU   80  18.42 +/- 1.97   0.331% *  0.1781% (0.94   1.0   0.02   0.02) =   0.002%
          QB    ALA  110 - HN    LEU   80  16.95 +/- 3.08   0.402% *  0.1364% (0.72   1.0   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HN    LEU   80  11.38 +/- 1.91   1.505% *  0.0275% (0.15   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    LEU   80  23.07 +/- 4.77   0.313% *  0.1296% (0.69   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ALA   34  22.40 +/- 3.02   0.320% *  0.1128% (0.60   1.0   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    LEU   80  19.20 +/- 3.48   0.593% *  0.0609% (0.32   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ALA   34  15.23 +/- 2.73   0.894% *  0.0368% (0.20   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    ALA   34  13.93 +/- 1.94   1.045% *  0.0228% (0.12   1.0   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ALA   34  18.48 +/- 4.85   0.549% *  0.0410% (0.22   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    LEU   80  18.81 +/- 2.09   0.337% *  0.0445% (0.24   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   80  19.90 +/- 3.24   0.225% *  0.0609% (0.32   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   34  23.70 +/- 3.16   0.194% *  0.0503% (0.27   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   34  21.69 +/- 5.04   0.274% *  0.0258% (0.14   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   80  24.20 +/- 3.60   0.159% *  0.0313% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1314 (0.76, 8.09, 121.65 ppm):
    18 chemical-shift based assignments, quality = 0.613, support = 1.83, residual support = 9.09:
          HG    LEU   31 - HN    ALA   34   5.89 +/- 0.48  14.726% * 64.0626% (0.51   2.59   9.89) =  59.396%  kept
          QG1   VAL   41 - HN    ALA   34   5.50 +/- 1.74  21.480% * 28.5990% (0.78   0.75   8.31) =  38.677%  kept
          QG1   VAL   41 - HN    LEU   80  14.36 +/- 3.85   7.301% *  0.9224% (0.94   0.02   0.02) =   0.424%  kept
          QG1   VAL   43 - HN    LEU   80  10.32 +/- 2.80   4.060% *  0.8534% (0.87   0.02   0.02) =   0.218%  kept
          QD2   LEU   73 - HN    ALA   34   7.95 +/- 2.40   8.834% *  0.3720% (0.38   0.02   0.02) =   0.207%  kept
          QG2   THR   46 - HN    LEU   80   9.92 +/- 2.83   5.684% *  0.5607% (0.57   0.02   0.02) =   0.201%  kept
          QD1   ILE   19 - HN    ALA   34   6.77 +/- 1.99  14.309% *  0.2125% (0.22   0.02   0.02) =   0.191%  kept
          QG2   VAL   18 - HN    ALA   34  10.94 +/- 2.69   4.493% *  0.5550% (0.57   0.02   0.02) =   0.157%  kept
          QG1   VAL   43 - HN    ALA   34  10.98 +/- 1.60   2.803% *  0.7056% (0.72   0.02   0.02) =   0.125%  kept
          QD2   LEU   73 - HN    LEU   80  11.33 +/- 2.56   4.040% *  0.4500% (0.46   0.02   0.02) =   0.114%  kept
          QG2   THR   46 - HN    ALA   34  16.46 +/- 3.03   3.305% *  0.4636% (0.47   0.02   0.02) =   0.096%
          QG2   VAL   18 - HN    LEU   80  13.04 +/- 1.92   1.807% *  0.6713% (0.69   0.02   0.02) =   0.076%
          HG    LEU   31 - HN    LEU   80  15.99 +/- 4.25   1.075% *  0.5980% (0.61   0.02   0.02) =   0.040%
          QD1   ILE   19 - HN    LEU   80  14.26 +/- 3.27   2.337% *  0.2570% (0.26   0.02   0.02) =   0.038%
          QD2   LEU  104 - HN    ALA   34  12.74 +/- 3.53   1.796% *  0.1339% (0.14   0.02   0.02) =   0.015%
          QD1   ILE   56 - HN    LEU   80  16.18 +/- 3.20   0.851% *  0.2305% (0.24   0.02   0.02) =   0.012%
          QD2   LEU  104 - HN    LEU   80  18.07 +/- 3.57   0.609% *  0.1619% (0.17   0.02   0.02) =   0.006%
          QD1   ILE   56 - HN    ALA   34  19.98 +/- 3.00   0.491% *  0.1906% (0.20   0.02   0.02) =   0.006%
    Distance limit 4.55 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1315 (0.59, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.847, support = 6.46, residual support = 85.2:
          QD2   LEU   80 - HN    LEU   80   3.63 +/- 0.72  52.166% * 97.1426% (0.85   6.47  85.37) =  99.826%  kept
          QD1   LEU   73 - HN    ALA   34   8.09 +/- 2.53  10.596% *  0.2712% (0.77   0.02   0.02) =   0.057%
          QG1   VAL   83 - HN    LEU   80   5.76 +/- 0.70  18.123% *  0.0834% (0.24   0.02   0.14) =   0.030%
          QD1   LEU   73 - HN    LEU   80  10.77 +/- 2.34   3.918% *  0.3280% (0.93   0.02   0.02) =   0.025%
          QD1   LEU   63 - HN    ALA   34  14.08 +/- 2.74   2.345% *  0.2712% (0.77   0.02   0.02) =   0.013%
          QD2   LEU   80 - HN    ALA   34  15.21 +/- 5.41   1.981% *  0.2481% (0.70   0.02   0.02) =   0.010%
          QD1   LEU  104 - HN    ALA   34  12.57 +/- 3.51   2.497% *  0.1901% (0.54   0.02   0.02) =   0.009%
          QD1   LEU   63 - HN    LEU   80  14.58 +/- 1.88   1.206% *  0.3280% (0.93   0.02   0.02) =   0.008%
          QD2   LEU  115 - HN    LEU   80  16.56 +/- 2.92   0.905% *  0.3089% (0.87   0.02   0.02) =   0.006%
          QD1   LEU  104 - HN    LEU   80  17.77 +/- 3.06   0.980% *  0.2299% (0.65   0.02   0.02) =   0.004%
          QD2   LEU   63 - HN    ALA   34  14.09 +/- 2.78   1.658% *  0.1241% (0.35   0.02   0.02) =   0.004%
          QD2   LEU  115 - HN    ALA   34  19.42 +/- 2.89   0.718% *  0.2554% (0.72   0.02   0.02) =   0.004%
          QD2   LEU   63 - HN    LEU   80  15.05 +/- 1.95   1.044% *  0.1500% (0.42   0.02   0.02) =   0.003%
          QG1   VAL   83 - HN    ALA   34  14.58 +/- 4.38   1.863% *  0.0690% (0.20   0.02   0.02) =   0.003%
    Distance limit 4.08 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1316 (0.46, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.455, support = 0.157, residual support = 0.297:
          QG1   VAL   75 - HN    LEU   80   6.34 +/- 1.35  65.679% * 80.4384% (0.46   0.16   0.31) =  95.615%  kept
          QG1   VAL   75 - HN    ALA   34  12.61 +/- 2.77  17.675% *  8.1472% (0.38   0.02   0.02) =   2.606%  kept
          QD1   LEU  115 - HN    LEU   80  15.98 +/- 3.07  11.379% *  6.2482% (0.29   0.02   0.02) =   1.287%  kept
          QD1   LEU  115 - HN    ALA   34  19.33 +/- 3.22   5.268% *  5.1661% (0.24   0.02   0.02) =   0.493%  kept
    Distance limit 4.49 A violated in 12 structures by 1.72 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 1317 (4.12, 8.09, 121.65 ppm):
    20 chemical-shift based assignments, quality = 0.618, support = 3.54, residual support = 25.5:
      O   HA    ALA   34 - HN    ALA   34   2.74 +/- 0.04  69.639% * 86.4983% (0.63  10.0   3.50  25.14) =  97.463%  kept
          HA    LYS+  81 - HN    LEU   80   4.77 +/- 0.48  14.463% * 10.1974% (0.29   1.0   5.06  40.00) =   2.386%  kept
          HA    GLU-  36 - HN    ALA   34   7.02 +/- 0.13   4.170% *  2.0250% (0.17   1.0   1.68   0.32) =   0.137%  kept
          HA    ASN   28 - HN    ALA   34   7.85 +/- 0.29   3.027% *  0.1022% (0.74   1.0   0.02   0.02) =   0.005%
          HA    ALA   34 - HN    LEU   80  19.55 +/- 4.87   1.302% *  0.1046% (0.76   1.0   0.02   0.02) =   0.002%
          HA    ASN   28 - HN    LEU   80  15.55 +/- 4.66   0.814% *  0.1236% (0.89   1.0   0.02   1.11) =   0.002%
          HA1   GLY  101 - HN    ALA   34  14.51 +/- 5.90   1.115% *  0.0655% (0.47   1.0   0.02   0.02) =   0.001%
          HA    ARG+  54 - HN    LEU   80  18.68 +/- 4.03   0.467% *  0.1091% (0.79   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    ALA   34   9.92 +/- 1.11   1.795% *  0.0189% (0.14   1.0   0.02   0.02) =   0.001%
          HA1   GLY  101 - HN    LEU   80  21.70 +/- 5.81   0.424% *  0.0792% (0.57   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    LEU   80  20.49 +/- 3.11   0.239% *  0.1206% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  24.71 +/- 6.12   0.614% *  0.0291% (0.21   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  23.73 +/- 4.27   0.283% *  0.0586% (0.42   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU   80  15.95 +/- 4.51   0.707% *  0.0229% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  25.76 +/- 4.40   0.157% *  0.0902% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  23.36 +/- 2.66   0.141% *  0.0997% (0.72   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  21.36 +/- 4.90   0.331% *  0.0333% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  26.93 +/- 5.65   0.128% *  0.0784% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  30.19 +/- 4.45   0.089% *  0.0949% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  26.42 +/- 3.05   0.093% *  0.0484% (0.35   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1318 (3.60, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.583, support = 2.65, residual support = 9.32:
          HA    LEU   31 - HN    ALA   34   3.22 +/- 0.53  63.217% * 87.8154% (0.60   2.78   9.89) =  93.838%  kept
          HA    THR   77 - HN    LEU   80   4.95 +/- 1.63  32.673% * 11.1113% (0.36   0.59   0.56) =   6.137%  kept
          HA    THR   77 - HN    ALA   34  18.68 +/- 4.55   3.546% *  0.3099% (0.29   0.02   0.02) =   0.019%
          HA    LEU   31 - HN    LEU   80  17.50 +/- 4.08   0.564% *  0.7633% (0.72   0.02   0.02) =   0.007%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1319 (2.91, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.71, support = 4.64, residual support = 21.6:
          QE    LYS+  33 - HN    ALA   34   4.77 +/- 0.79  31.784% * 37.4884% (0.60   5.69  42.00) =  45.690%  kept
          HB2   ASP-  78 - HN    LEU   80   5.53 +/- 0.99  21.321% * 43.4959% (0.93   4.26   6.16) =  35.561%  kept
          HB2   ASP-  76 - HN    LEU   80   5.31 +/- 1.08  27.263% * 17.8598% (0.57   2.82   1.34) =  18.671%  kept
          HB2   ASN   28 - HN    ALA   34   9.57 +/- 0.49   3.699% *  0.1115% (0.51   0.02   0.02) =   0.016%
          HB2   ASP-  76 - HN    ALA   34  18.17 +/- 3.66   2.969% *  0.1046% (0.47   0.02   0.02) =   0.012%
          HB2   ASP-  78 - HN    ALA   34  21.63 +/- 4.29   1.577% *  0.1690% (0.77   0.02   0.02) =   0.010%
          QE    LYS+  33 - HN    LEU   80  17.99 +/- 4.62   1.364% *  0.1593% (0.72   0.02   0.02) =   0.008%
          HB2   ASN   28 - HN    LEU   80  16.24 +/- 4.85   1.575% *  0.1349% (0.61   0.02   1.11) =   0.008%
          HB2   ASP-  86 - HN    LEU   80   9.89 +/- 0.74   3.596% *  0.0580% (0.26   0.02   0.02) =   0.008%
          QE    LYS+  65 - HN    LEU   80  16.14 +/- 4.16   1.540% *  0.1015% (0.46   0.02   0.02) =   0.006%
          HB2   ASN   69 - HN    ALA   34  15.06 +/- 2.76   1.598% *  0.0839% (0.38   0.02   0.02) =   0.005%
          QE    LYS+  65 - HN    ALA   34  18.08 +/- 2.32   0.601% *  0.0839% (0.38   0.02   0.02) =   0.002%
          HB2   ASN   69 - HN    LEU   80  23.03 +/- 3.87   0.396% *  0.1015% (0.46   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    ALA   34  18.84 +/- 4.95   0.717% *  0.0479% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1320 (2.33, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.459, support = 5.67, residual support = 48.8:
          HB2   GLU-  79 - HN    LEU   80   2.86 +/- 0.54  67.556% * 88.7241% (0.46   5.73  49.37) =  98.783%  kept
          HG3   GLU-  36 - HN    ALA   34   7.33 +/- 1.10   8.631% *  7.3429% (0.27   0.82   0.32) =   1.044%  kept
          HG2   PRO   52 - HN    LEU   80  18.23 +/- 5.10  13.673% *  0.5521% (0.82   0.02   0.02) =   0.124%  kept
          HG2   MET   92 - HN    LEU   80  13.64 +/- 5.14   3.600% *  0.2171% (0.32   0.02   0.02) =   0.013%
          HG3   GLU-  25 - HN    LEU   80  16.50 +/- 5.54   1.143% *  0.6239% (0.93   0.02   0.02) =   0.012%
          HG3   GLU-  36 - HN    LEU   80  24.57 +/- 6.41   2.383% *  0.2171% (0.32   0.02   0.02) =   0.009%
          HG3   GLU-  25 - HN    ALA   34  15.12 +/- 1.32   0.558% *  0.5159% (0.77   0.02   0.02) =   0.005%
          HB2   GLU-  79 - HN    ALA   34  18.68 +/- 4.06   0.609% *  0.2562% (0.38   0.02   0.02) =   0.003%
          HG2   PRO   52 - HN    ALA   34  27.45 +/- 3.89   0.309% *  0.4565% (0.68   0.02   0.02) =   0.002%
          HB2   PRO   58 - HN    LEU   80  19.84 +/- 4.15   0.417% *  0.2389% (0.36   0.02   0.02) =   0.002%
          QG    GLU- 114 - HN    LEU   80  19.31 +/- 3.61   0.345% *  0.2617% (0.39   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    ALA   34  25.01 +/- 3.77   0.321% *  0.1795% (0.27   0.02   0.02) =   0.001%
          HB2   PRO   58 - HN    ALA   34  22.98 +/- 2.93   0.251% *  0.1975% (0.29   0.02   0.02) =   0.001%
          QG    GLU- 114 - HN    ALA   34  22.74 +/- 2.22   0.204% *  0.2164% (0.32   0.02   0.02) =   0.001%
    Distance limit 3.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1321 (4.01, 8.09, 121.65 ppm):
    22 chemical-shift based assignments, quality = 0.763, support = 7.21, residual support = 40.3:
      O   HA    LYS+  33 - HN    ALA   34   3.56 +/- 0.07  39.656% * 89.0893% (0.78  10.0   7.35  42.00) =  95.953%  kept
          HA    GLN   32 - HN    ALA   34   4.40 +/- 0.41  21.729% *  5.7355% (0.22   1.0   4.63   0.65) =   3.385%  kept
          HB2   SER   82 - HN    LEU   80   7.14 +/- 0.71   5.562% *  2.7289% (0.85   1.0   0.56   0.35) =   0.412%  kept
          HA    GLU-  29 - HN    ALA   34   6.81 +/- 0.75   6.536% *  0.8723% (0.75   1.0   0.20   0.02) =   0.155%  kept
          HA    VAL   18 - HN    ALA   34  10.74 +/- 2.59   4.543% *  0.5705% (0.74   1.0   0.14   0.02) =   0.070%
          HB2   SER   37 - HN    ALA   34   6.49 +/- 1.13   8.785% *  0.0198% (0.17   1.0   0.02   0.53) =   0.005%
          HA    VAL   70 - HN    ALA   34  11.47 +/- 2.08   1.750% *  0.0773% (0.68   1.0   0.02   0.02) =   0.004%
          HA    SER   48 - HN    LEU   80  12.55 +/- 4.23   2.194% *  0.0567% (0.50   1.0   0.02   0.02) =   0.003%
          HA    VAL   18 - HN    LEU   80  16.24 +/- 3.38   1.083% *  0.1019% (0.89   1.0   0.02   0.02) =   0.003%
          HA    LYS+  33 - HN    LEU   80  21.47 +/- 5.18   0.548% *  0.1078% (0.95   1.0   0.02   0.02) =   0.002%
          HA    GLU-  29 - HN    LEU   80  18.64 +/- 4.41   0.441% *  0.1040% (0.91   1.0   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    LEU   80  17.67 +/- 4.59   2.513% *  0.0166% (0.15   1.0   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    LEU   80  12.64 +/- 1.31   1.156% *  0.0333% (0.29   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    LEU   80  19.33 +/- 3.12   0.393% *  0.0935% (0.82   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    LEU   80  21.91 +/- 5.60   1.272% *  0.0240% (0.21   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    ALA   34  21.52 +/- 6.03   0.330% *  0.0799% (0.70   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    LEU   80  22.35 +/- 3.76   0.243% *  0.0935% (0.82   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    ALA   34  23.93 +/- 4.12   0.285% *  0.0469% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  24.50 +/- 2.93   0.145% *  0.0773% (0.68   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  20.84 +/- 4.71   0.330% *  0.0300% (0.26   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  22.67 +/- 3.98   0.343% *  0.0275% (0.24   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  27.29 +/- 3.83   0.163% *  0.0137% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1322 (8.28, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.463, support = 0.02, residual support = 0.352:
          HN    GLU-  29 - HN    ALA   34   8.08 +/- 0.71  17.955% * 11.4785% (0.61  1.00   0.02   0.02) =  27.929%  kept
          HN    GLN   30 - HN    ALA   34   6.00 +/- 0.75  44.179% *  3.3143% (0.17  1.00   0.02   1.69) =  19.842%  kept
          HN    VAL   18 - HN    ALA   34  12.70 +/- 2.88  10.103% * 13.7422% (0.72  1.00   0.02   0.02) =  18.815%  kept
        T HN    ASP-  86 - HN    ALA   34  20.51 +/- 4.67   2.060% * 42.1332% (0.22 10.00   0.02   0.02) =  11.763%  kept
          HN    VAL   18 - HN    LEU   80  17.33 +/- 3.40   4.385% * 12.3085% (0.65  1.00   0.02   0.02) =   7.315%  kept
          HN    ASP-  86 - HN    LEU   80   9.34 +/- 0.59  12.456% *  3.7738% (0.20  1.00   0.02   0.02) =   6.370%  kept
          HN    GLU-  29 - HN    LEU   80  16.52 +/- 4.55   4.443% * 10.2810% (0.54  1.00   0.02   0.02) =   6.189%  kept
          HN    GLN   30 - HN    LEU   80  16.12 +/- 4.23   4.418% *  2.9685% (0.16  1.00   0.02   0.02) =   1.777%  kept
    Distance limit 3.83 A violated in 15 structures by 1.87 A, eliminated.
    Peak unassigned.
 
    Peak 1323 (8.28, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.406, support = 0.02, residual support = 0.287:
          HN    GLU-  29 - HN    ALA   34   8.08 +/- 0.71  17.955% * 10.1298% (0.41  1.00   0.02   0.02) =  25.151%  kept
          HN    VAL   18 - HN    ALA   34  12.70 +/- 2.88  10.103% * 15.4172% (0.63  1.00   0.02   0.02) =  21.540%  kept
          HN    GLN   30 - HN    ALA   34   6.00 +/- 0.75  44.179% *  2.6057% (0.11  1.00   0.02   1.69) =  15.919%  kept
          HN    VAL   18 - HN    LEU   80  17.33 +/- 3.40   4.385% * 18.6466% (0.76  1.00   0.02   0.02) =  11.308%  kept
        T HN    ASP-  86 - HN    ALA   34  20.51 +/- 4.67   2.060% * 33.7193% (0.14 10.00   0.02   0.02) =   9.606%  kept
          HN    GLU-  29 - HN    LEU   80  16.52 +/- 4.55   4.443% * 12.2517% (0.50  1.00   0.02   0.02) =   7.527%  kept
          HN    ASP-  86 - HN    LEU   80   9.34 +/- 0.59  12.456% *  4.0782% (0.17  1.00   0.02   0.02) =   7.025%  kept
          HN    GLN   30 - HN    LEU   80  16.12 +/- 4.23   4.418% *  3.1515% (0.13  1.00   0.02   0.02) =   1.925%  kept
    Distance limit 3.81 A violated in 15 structures by 1.89 A, eliminated.
    Peak unassigned.
 
    Peak 1325 (8.38, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.537, support = 4.77, residual support = 21.2:
        T HN    ASN   35 - HN    ALA   34   2.76 +/- 0.15  97.135% * 98.3004% (0.54 10.00   4.77  21.18) =  99.991%  kept
        T HN    ASN   35 - HN    LEU   80  21.00 +/- 4.95   0.520% *  1.1889% (0.65 10.00   0.02   0.02) =   0.006%
          HN    ALA   12 - HN    ALA   34  17.93 +/- 3.47   0.528% *  0.1428% (0.78  1.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    LEU   80  26.82 +/- 6.19   0.241% *  0.1727% (0.94  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  17.17 +/- 2.77   0.549% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  16.63 +/- 2.65   0.562% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  21.52 +/- 3.58   0.303% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  25.26 +/- 2.82   0.164% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1326 (7.29, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.937, support = 5.36, residual support = 40.0:
          HN    LYS+  81 - HN    LEU   80   3.36 +/- 0.55  78.761% * 96.2907% (0.94   5.36  40.00) =  99.890%  kept
          HE3   TRP   27 - HN    LEU   80  12.93 +/- 4.13   2.136% *  2.5004% (0.15   0.89   5.84) =   0.070%
          QD    PHE   60 - HN    ALA   34  15.05 +/- 2.66   5.592% *  0.2687% (0.70   0.02   0.02) =   0.020%
          QD    PHE   60 - HN    LEU   80  14.04 +/- 2.75   1.712% *  0.3250% (0.85   0.02   0.02) =   0.007%
          HE3   TRP   27 - HN    ALA   34   7.95 +/- 0.88   9.182% *  0.0462% (0.12   0.02   0.02) =   0.006%
          HN    LYS+  81 - HN    ALA   34  21.30 +/- 5.34   0.885% *  0.2969% (0.78   0.02   0.02) =   0.003%
          HN    LYS+  66 - HN    ALA   34  17.39 +/- 2.49   1.016% *  0.1232% (0.32   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    LEU   80  18.44 +/- 1.99   0.715% *  0.1490% (0.39   0.02   0.02) =   0.001%
    Distance limit 4.11 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1327 (1.34, 8.16, 121.97 ppm):
    13 chemical-shift based assignments, quality = 0.535, support = 1.58, residual support = 2.35:
          HG2   LYS+ 111 - HN    GLU- 114   4.96 +/- 1.21  39.787% * 51.5292% (0.73   0.94   1.77) =  65.483%  kept
          HB2   LYS+ 112 - HN    GLU- 114   5.39 +/- 0.40  30.592% * 34.0308% (0.15   2.91   3.58) =  33.252%  kept
          HB3   PRO   93 - HN    GLU- 114   9.63 +/- 3.38  16.255% *  1.1598% (0.76   0.02   0.02) =   0.602%  kept
          HB3   ASP-  44 - HN    GLU- 114  14.06 +/- 3.47   3.859% *  1.5177% (1.00   0.02   0.02) =   0.187%  kept
          HG3   LYS+ 106 - HN    GLU- 114  13.84 +/- 1.83   2.015% *  2.4196% (0.22   0.14   0.02) =   0.156%  kept
          HB2   LEU   63 - HN    GLU- 114  14.54 +/- 2.93   3.022% *  1.4876% (0.98   0.02   0.02) =   0.144%  kept
          QB    ALA  124 - HN    GLU- 114  16.41 +/- 0.90   1.126% *  1.4646% (0.97   0.02   0.02) =   0.053%
          QB    ALA   84 - HN    GLU- 114  16.85 +/- 2.66   1.184% *  1.2152% (0.80   0.02   0.02) =   0.046%
          HG    LEU   98 - HN    GLU- 114  19.95 +/- 2.17   0.619% *  1.3611% (0.90   0.02   0.02) =   0.027%
          HB3   LEU   80 - HN    GLU- 114  23.07 +/- 3.91   0.491% *  1.4010% (0.92   0.02   0.02) =   0.022%
          HB2   LEU   31 - HN    GLU- 114  26.13 +/- 3.58   0.420% *  1.2152% (0.80   0.02   0.02) =   0.016%
          HG2   LYS+  99 - HN    GLU- 114  23.36 +/- 2.50   0.390% *  0.6804% (0.45   0.02   0.02) =   0.008%
          HG2   LYS+  38 - HN    GLU- 114  28.50 +/- 3.16   0.241% *  0.5177% (0.34   0.02   0.02) =   0.004%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   1094
      with diagonal assignment               :    129
      without assignment possibility         :      2
      with one assignment possibility        :     46
      with multiple assignment possibilities :    917
      with given assignment possibilities    :      0
      with unique volume contribution        :    459
      with multiple volume contributions     :    504
      eliminated by violation filter         :     33
 
    Peaks:
      selected                               :   1094
      without assignment                     :     49
      with assignment                        :   1045
      with unique assignment                 :    567
      with multiple assignment               :    478
      with reference assignment              :    129
      with identical reference assignment    :    110
      with compatible reference assignment   :     19
      with incompatible reference assignment :      0
      with additional reference assignment   :      0
      with additional assignment             :    916
 
    Atoms with eliminated volume contribution > 2.5:
    HN    LEU   80       2.9
 
    Peak 1 (4.29, 4.29, 56.56 ppm):
    2 diagonal assignments:
    *     HA    MET   11 - HA    MET   11  (1.00)  kept
          HA    GLU-  14 - HA    GLU-  14  (0.16)  kept
 
    Peak 4 (2.08, 4.29, 56.56 ppm):
    16 chemical-shift based assignments, quality = 0.785, support = 3.68, residual support = 47.2:
    * O T HG2   MET   11 - HA    MET   11   3.32 +/- 0.73  40.394% * 70.8328% (1.00  10.0 10.00   4.00  48.36) =  64.750%  kept
      O T HB2   GLU-  14 - HA    GLU-  14   2.77 +/- 0.21  56.114% * 27.7351% (0.39  10.0 10.00   3.08  45.05) =  35.221%  kept
        T HB2   GLU-  14 - HA    MET   11  10.26 +/- 1.37   1.273% *  0.7068% (1.00   1.0 10.00   0.02   0.02) =   0.020%
        T HG2   MET   11 - HA    GLU-  14  10.46 +/- 1.28   1.254% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.008%
        T HB2   ARG+  54 - HA    MET   11  36.90 +/- 5.43   0.030% *  0.1241% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  18.39 +/- 5.83   0.383% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  33.21 +/- 4.87   0.039% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  30.68 +/- 4.75   0.056% *  0.0487% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  24.02 +/- 5.70   0.129% *  0.0197% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  26.67 +/- 4.20   0.083% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  39.17 +/- 4.94   0.025% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  34.46 +/- 5.44   0.038% *  0.0291% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  32.87 +/- 4.26   0.041% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  28.36 +/- 3.78   0.064% *  0.0114% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    MET   11  36.70 +/- 4.80   0.028% *  0.0096% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU-  14  30.76 +/- 3.63   0.048% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 5 (1.92, 4.29, 56.56 ppm):
    14 chemical-shift based assignments, quality = 0.802, support = 3.71, residual support = 47.3:
    * O T HG3   MET   11 - HA    MET   11   3.13 +/- 0.57  42.805% * 72.0852% (1.00  10.0 10.00   4.00  48.36) =  68.462%  kept
      O T HB3   GLU-  14 - HA    GLU-  14   2.81 +/- 0.20  53.075% * 26.7596% (0.37  10.0 10.00   3.08  45.05) =  31.512%  kept
        T HB3   GLU-  14 - HA    MET   11  10.51 +/- 1.34   1.188% *  0.6819% (0.95   1.0 10.00   0.02   0.02) =   0.018%
        T HG3   MET   11 - HA    GLU-  14  10.96 +/- 1.43   1.286% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.008%
          HB3   GLN   30 - HA    MET   11  20.16 +/- 3.58   0.268% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  17.95 +/- 4.38   0.353% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  29.95 +/- 4.53   0.056% *  0.0495% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  14  14.78 +/- 2.44   0.493% *  0.0050% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  24.13 +/- 3.53   0.108% *  0.0222% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  24.04 +/- 3.64   0.117% *  0.0194% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  31.82 +/- 5.10   0.053% *  0.0323% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  25.28 +/- 4.69   0.105% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  35.99 +/- 6.04   0.039% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  30.18 +/- 3.96   0.054% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 6 (4.29, 2.08, 30.22 ppm):
    36 chemical-shift based assignments, quality = 0.846, support = 3.82, residual support = 47.0:
    * O T HA    MET   11 - HG2   MET   11   3.32 +/- 0.73  30.543% * 79.8442% (1.00  10.0 10.00   4.00  48.36) =  80.879%  kept
      O T HA    GLU-  14 - HB2   GLU-  14   2.77 +/- 0.21  41.420% * 12.2922% (0.15  10.0 10.00   3.08  45.05) =  16.886%  kept
          HA    ALA   12 - HG2   MET   11   4.94 +/- 0.87  10.686% *  6.1620% (0.53   1.0  1.00   2.93  12.05) =   2.184%  kept
          HA    ALA   12 - HB2   GLU-  14   7.27 +/- 1.11   3.113% *  0.2624% (0.20   1.0  1.00   0.33   0.02) =   0.027%
        T HA    GLU-  14 - HG2   MET   11  10.46 +/- 1.28   0.928% *  0.3282% (0.41   1.0 10.00   0.02   0.02) =   0.010%
        T HA    MET   11 - HB2   GLU-  14  10.26 +/- 1.37   0.934% *  0.2990% (0.37   1.0 10.00   0.02   0.02) =   0.009%
          HA    SER   85 - HG2   MET   11  34.34 +/- 8.12   0.274% *  0.0783% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - HB2   GLU-  14  23.89 +/- 5.45   0.666% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB2   ARG+  54   5.41 +/- 0.55   6.424% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - HG2   MET   11  30.01 +/- 7.26   0.128% *  0.0783% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  14  16.89 +/- 5.38   0.442% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG2   MET   11  22.60 +/- 5.09   0.123% *  0.0389% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  16.08 +/- 4.74   0.573% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  29.33 +/- 5.41   0.056% *  0.0737% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  23.35 +/- 4.66   0.140% *  0.0276% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  28.98 +/- 4.26   0.046% *  0.0797% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG2   MET   11  28.11 +/- 6.53   0.080% *  0.0452% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  32.92 +/- 7.94   0.088% *  0.0389% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  22.09 +/- 2.82   0.100% *  0.0298% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  14.56 +/- 2.34   0.384% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   GLU-  14  22.23 +/- 4.72   0.174% *  0.0169% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  28.95 +/- 4.84   0.066% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   ARG+  54   8.53 +/- 0.93   1.620% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  36.90 +/- 5.43   0.022% *  0.0772% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  30.68 +/- 4.75   0.041% *  0.0317% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  22.03 +/- 3.93   0.138% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  27.75 +/- 4.93   0.071% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ARG+  54  19.72 +/- 4.73   0.228% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG2   MET   11  38.63 +/- 6.48   0.023% *  0.0300% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  24.75 +/- 3.62   0.096% *  0.0071% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  14  32.01 +/- 5.46   0.037% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ARG+  54  25.88 +/- 4.99   0.110% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG2   MET   11  32.85 +/- 5.10   0.033% *  0.0123% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  14  25.42 +/- 4.26   0.086% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  25.05 +/- 3.72   0.079% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  34.77 +/- 4.82   0.027% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 7 (2.29, 2.08, 30.22 ppm):
    33 chemical-shift based assignments, quality = 0.856, support = 3.29, residual support = 46.9:
    * O T QB    MET   11 - HG2   MET   11   2.32 +/- 0.13  45.921% * 66.1248% (1.00  10.0 10.00   3.31  48.36) =  81.612%  kept
      O T QG    GLU-  14 - HB2   GLU-  14   2.36 +/- 0.14  43.829% * 14.0193% (0.21  10.0 10.00   3.29  45.05) =  16.514%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.66 +/- 0.74   3.822% * 17.9811% (0.27   1.0 10.00   2.36   1.70) =   1.847%  kept
        T QG    GLU-  14 - HG2   MET   11   9.83 +/- 1.51   0.905% *  0.3744% (0.57   1.0 10.00   0.02   0.02) =   0.009%
        T QG    GLU-  15 - HG2   MET   11  11.34 +/- 1.73   0.541% *  0.4802% (0.73   1.0 10.00   0.02   0.02) =   0.007%
        T QB    MET   11 - HB2   GLU-  14   9.41 +/- 1.24   0.987% *  0.2476% (0.37   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   GLU-  36 - HG2   MET   11  18.14 +/- 6.23   0.322% *  0.2482% (0.38   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   GLU-  36 - HB2   GLU-  14  15.11 +/- 5.49   0.420% *  0.0929% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLN   90 - HG2   MET   11  31.59 +/- 7.20   0.192% *  0.0272% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  13.31 +/- 2.38   0.397% *  0.0099% (0.01   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  16.08 +/- 3.76   0.193% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  26.52 +/- 4.16   0.041% *  0.0464% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  23.42 +/- 4.15   0.055% *  0.0322% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  26.86 +/- 4.66   0.040% *  0.0362% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  14.13 +/- 2.77   0.347% *  0.0039% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  33.20 +/- 5.14   0.021% *  0.0639% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  27.92 +/- 4.20   0.032% *  0.0401% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  20.80 +/- 3.37   0.080% *  0.0150% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   ARG+  54  13.46 +/- 3.82   0.437% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   11  27.57 +/- 6.18   0.051% *  0.0165% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   ARG+  54  13.01 +/- 2.47   0.375% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   GLU-  14  21.53 +/- 4.53   0.105% *  0.0062% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  18.73 +/- 3.93   0.196% *  0.0031% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   11  36.05 +/- 6.87   0.024% *  0.0248% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   ARG+  54  32.60 +/- 5.12   0.023% *  0.0240% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  17.30 +/- 3.36   0.201% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  26.64 +/- 4.37   0.050% *  0.0102% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   ARG+  54  18.83 +/- 4.47   0.251% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   11  33.25 +/- 4.45   0.019% *  0.0204% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  14  27.28 +/- 3.72   0.035% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  14  29.98 +/- 4.21   0.025% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  32.88 +/- 4.85   0.023% *  0.0102% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  26.04 +/- 3.54   0.040% *  0.0038% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 9 (2.08, 2.08, 30.22 ppm):
    3 diagonal assignments:
    *     HG2   MET   11 - HG2   MET   11  (1.00)  kept
          HB2   GLU-  14 - HB2   GLU-  14  (0.37)  kept
          HB2   ARG+  54 - HB2   ARG+  54  (0.02)  kept
 
    Peak 10 (1.92, 2.08, 30.22 ppm):
    21 chemical-shift based assignments, quality = 0.831, support = 3.74, residual support = 47.5:
    * O T HG3   MET   11 - HG2   MET   11   1.75 +/- 0.00  49.153% * 72.5786% (1.00  10.0 10.00   4.00  48.36) =  73.838%  kept
      O T HB3   GLU-  14 - HB2   GLU-  14   1.75 +/- 0.00  49.154% * 25.7103% (0.35  10.0 10.00   3.00  45.05) =  26.157%  kept
        T HB3   GLU-  14 - HG2   MET   11  11.10 +/- 1.43   0.233% *  0.6866% (0.95   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   MET   11 - HB2   GLU-  14  11.22 +/- 1.65   0.265% *  0.2718% (0.37   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PRO   58 - HG2   MET   11  32.30 +/- 5.67   0.012% *  0.3254% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB2   GLU-  14  25.15 +/- 4.76   0.023% *  0.1219% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ARG+  54  11.03 +/- 1.99   0.292% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HB2   ARG+  54  30.20 +/- 5.52   0.014% *  0.0664% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   MET   11  20.56 +/- 4.09   0.069% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG2   MET   11  30.20 +/- 5.10   0.014% *  0.0499% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLU-  14  14.41 +/- 3.09   0.143% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ARG+  54  13.02 +/- 3.88   0.345% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   GLU-  14  18.22 +/- 4.67   0.070% *  0.0084% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   GLU-  14  23.86 +/- 3.53   0.029% *  0.0187% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG2   MET   11  24.60 +/- 4.09   0.022% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   ARG+  54  37.68 +/- 6.21   0.007% *  0.0702% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HB2   ARG+  54  24.50 +/- 4.26   0.031% *  0.0123% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   ARG+  54  19.34 +/- 3.10   0.048% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   MET   11  36.09 +/- 6.57   0.010% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   ARG+  54  22.80 +/- 5.25   0.054% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLU-  14  29.94 +/- 4.16   0.012% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 11 (4.29, 1.92, 30.22 ppm):
    24 chemical-shift based assignments, quality = 0.864, support = 3.84, residual support = 47.2:
    * O T HA    MET   11 - HG3   MET   11   3.13 +/- 0.57  36.401% * 80.7073% (1.00  10.0 10.00   4.00  48.36) =  83.215%  kept
      O T HA    GLU-  14 - HB3   GLU-  14   2.81 +/- 0.20  44.462% * 11.7798% (0.15  10.0 10.00   3.08  45.05) =  14.835%  kept
          HA    ALA   12 - HG3   MET   11   5.36 +/- 1.09  10.925% *  6.2287% (0.53   1.0  1.00   2.93  12.05) =   1.928%  kept
        T HA    GLU-  14 - HG3   MET   11  10.96 +/- 1.43   1.064% *  0.3318% (0.41   1.0 10.00   0.02   0.02) =   0.010%
        T HA    MET   11 - HB3   GLU-  14  10.51 +/- 1.34   0.999% *  0.2865% (0.36   1.0 10.00   0.02   0.02) =   0.008%
          HA    ALA   12 - HB3   GLU-  14   7.51 +/- 1.47   3.496% *  0.0151% (0.19   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HG3   MET   11  34.73 +/- 8.35   0.289% *  0.0791% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - HB3   GLU-  14  23.73 +/- 5.31   0.349% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  14  16.49 +/- 5.16   0.610% *  0.0139% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   MET   11  30.38 +/- 7.72   0.106% *  0.0791% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   MET   11  22.77 +/- 5.02   0.129% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  14  23.12 +/- 4.88   0.176% *  0.0265% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   MET   11  29.66 +/- 5.32   0.056% *  0.0745% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG3   MET   11  28.53 +/- 6.87   0.091% *  0.0457% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   MET   11  29.41 +/- 4.22   0.051% *  0.0805% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   MET   11  33.28 +/- 8.20   0.100% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  14  21.79 +/- 3.14   0.121% *  0.0286% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   GLU-  14  22.14 +/- 4.81   0.213% *  0.0162% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  14  28.72 +/- 4.91   0.073% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   GLU-  14  27.57 +/- 4.93   0.095% *  0.0139% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   MET   11  39.09 +/- 6.42   0.024% *  0.0303% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  14  31.77 +/- 5.62   0.044% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   MET   11  33.28 +/- 4.94   0.034% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  14  25.15 +/- 4.42   0.094% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 12 (2.29, 1.92, 30.22 ppm):
    22 chemical-shift based assignments, quality = 0.844, support = 3.28, residual support = 46.7:
    * O T QB    MET   11 - HG3   MET   11   2.45 +/- 0.12  43.539% * 67.3911% (1.00  10.0 10.00   3.31  48.36) =  80.259%  kept
      O T QG    GLU-  14 - HB3   GLU-  14   2.39 +/- 0.10  46.997% * 13.5457% (0.20  10.0 10.00   3.29  45.05) =  17.413%  kept
        T QG    GLU-  15 - HB3   GLU-  14   5.46 +/- 0.70   4.835% * 17.3737% (0.26   1.0 10.00   2.22   1.70) =   2.298%  kept
        T QG    GLU-  14 - HG3   MET   11  10.21 +/- 1.70   1.287% *  0.3815% (0.57   1.0 10.00   0.02   0.02) =   0.013%
        T QG    GLU-  15 - HG3   MET   11  11.68 +/- 1.68   0.528% *  0.4894% (0.73   1.0 10.00   0.02   0.02) =   0.007%
        T QB    MET   11 - HB3   GLU-  14   9.67 +/- 1.28   0.839% *  0.2393% (0.36   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   GLU-  36 - HG3   MET   11  18.12 +/- 5.95   0.323% *  0.2529% (0.38   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   GLU-  36 - HB3   GLU-  14  14.95 +/- 5.33   0.526% *  0.0898% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLN   90 - HG3   MET   11  31.95 +/- 7.27   0.240% *  0.0277% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  14  15.76 +/- 3.86   0.248% *  0.0116% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   MET   11  23.82 +/- 4.14   0.061% *  0.0328% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   MET   11  28.35 +/- 4.17   0.036% *  0.0409% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  14  20.51 +/- 3.50   0.100% *  0.0145% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   MET   11  27.97 +/- 6.50   0.054% *  0.0168% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG3   MET   11  36.53 +/- 6.87   0.031% *  0.0253% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   GLU-  14  21.42 +/- 4.55   0.113% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   GLU-  14  26.33 +/- 4.57   0.064% *  0.0098% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   MET   11  33.63 +/- 4.38   0.021% *  0.0208% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB3   GLU-  14  26.99 +/- 4.07   0.047% *  0.0074% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  14  29.68 +/- 4.47   0.033% *  0.0090% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   MET   11  33.31 +/- 4.75   0.025% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  14  25.77 +/- 3.91   0.054% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 14 (2.08, 1.92, 30.22 ppm):
    16 chemical-shift based assignments, quality = 0.831, support = 3.74, residual support = 47.5:
    * O T HG2   MET   11 - HG3   MET   11   1.75 +/- 0.00  49.632% * 71.8618% (1.00  10.0 10.00   4.00  48.36) =  73.838%  kept
      O T HB2   GLU-  14 - HB3   GLU-  14   1.75 +/- 0.00  49.633% * 25.4564% (0.35  10.0 10.00   3.00  45.05) =  26.157%  kept
        T HB2   GLU-  14 - HG3   MET   11  11.22 +/- 1.65   0.268% *  0.7170% (1.00   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   MET   11 - HB3   GLU-  14  11.10 +/- 1.43   0.236% *  0.2551% (0.36   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   PRO   58 - HG3   MET   11  34.04 +/- 5.35   0.009% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   MET   11  39.87 +/- 5.75   0.006% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   MET   11  37.68 +/- 6.21   0.007% *  0.1259% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   MET   11  24.96 +/- 5.95   0.036% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLU-  14  30.20 +/- 5.52   0.014% *  0.0447% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   GLU-  14  18.50 +/- 5.83   0.085% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   GLU-  14  26.34 +/- 4.60   0.019% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   MET   11  35.12 +/- 5.92   0.010% *  0.0295% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HB3   GLU-  14  32.35 +/- 4.90   0.010% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLU-  14  27.86 +/- 4.13   0.015% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   MET   11  37.36 +/- 5.13   0.007% *  0.0097% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLU-  14  30.30 +/- 4.03   0.014% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 15 (1.92, 1.92, 30.22 ppm):
    2 diagonal assignments:
    *     HG3   MET   11 - HG3   MET   11  (1.00)  kept
          HB3   GLU-  14 - HB3   GLU-  14  (0.34)  kept
 
    Peak 16 (4.29, 2.29, 36.10 ppm):
    48 chemical-shift based assignments, quality = 0.878, support = 3.37, residual support = 46.9:
    * O T HA    MET   11 - QB    MET   11   2.39 +/- 0.16  32.881% * 74.9887% (1.00  10.0 10.00   3.37  48.36) =  85.468%  kept
      O T HA    GLU-  14 - QG    GLU-  14   2.42 +/- 0.44  34.858% * 10.0046% (0.13  10.0 10.00   3.57  45.05) =  12.088%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.73 +/- 0.69   5.126% *  7.4323% (0.10   1.0 10.00   2.52   1.70) =   1.321%  kept
          HA    ALA   12 - QB    MET   11   4.09 +/- 0.20   6.912% *  4.5633% (0.53   1.0  1.00   2.31  12.05) =   1.093%  kept
        T HA    GLU-  14 - QB    MET   11   9.19 +/- 1.12   0.727% *  0.3083% (0.41   1.0 10.00   0.02   0.02) =   0.008%
          HB    THR   77 - QG    GLU-  15  20.73 +/- 6.60   8.763% *  0.0177% (0.24   1.0  1.00   0.02   0.02) =   0.005%
        T HA    MET   11 - QG    GLU-  14   9.46 +/- 1.01   0.617% *  0.2434% (0.32   1.0 10.00   0.02   0.02) =   0.005%
        T HA    MET   11 - QG    GLU-  15  10.70 +/- 1.97   0.703% *  0.1808% (0.24   1.0 10.00   0.02   0.02) =   0.004%
        T HA    ASP-  44 - QB    MET   11  25.91 +/- 3.31   0.029% *  0.7482% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  79 - QB    MET   11  25.36 +/- 5.49   0.049% *  0.4246% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QG    GLU-  14   6.85 +/- 0.78   1.591% *  0.0128% (0.17   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  14  19.57 +/- 2.60   0.073% *  0.2428% (0.32   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  15  18.31 +/- 2.72   0.091% *  0.1804% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QG    GLU-  15   8.55 +/- 1.44   1.191% *  0.0095% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  15  20.05 +/- 5.43   1.093% *  0.0102% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  15  11.26 +/- 4.48   1.102% *  0.0088% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  21.04 +/- 5.00   0.392% *  0.0239% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  30.93 +/- 6.88   0.084% *  0.0735% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   GLU-  36  25.45 +/- 7.54   0.512% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HG3   GLU-  36  25.59 +/- 5.27   0.079% *  0.0529% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  26.98 +/- 6.42   0.056% *  0.0735% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    MET   11  20.00 +/- 4.37   0.089% *  0.0365% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  26.16 +/- 4.40   0.045% *  0.0692% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  21.05 +/- 4.83   0.115% *  0.0225% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  18.60 +/- 4.44   0.152% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  14  15.37 +/- 4.39   0.207% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   GLU-  36  10.22 +/- 1.46   0.530% *  0.0045% (0.06   1.0  1.00   0.02   1.06) =   0.000%
          HA    SER   85 - HG3   GLU-  36  28.37 +/- 6.74   0.252% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  14  19.53 +/- 4.33   0.153% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG3   GLU-  36  17.48 +/- 5.57   0.201% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  29.67 +/- 6.78   0.037% *  0.0365% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG3   GLU-  36  16.35 +/- 5.85   0.274% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  25.57 +/- 4.54   0.054% *  0.0239% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG3   GLU-  36  14.84 +/- 5.01   0.325% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  25.05 +/- 4.99   0.070% *  0.0177% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  24.59 +/- 4.43   0.069% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   GLU-  36  20.33 +/- 5.01   0.071% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  23.91 +/- 4.55   0.060% *  0.0088% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   GLU-  36  22.05 +/- 2.48   0.047% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    MET   11  34.51 +/- 5.42   0.014% *  0.0281% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   GLU-  36  26.56 +/- 6.72   0.073% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    MET   11  29.23 +/- 4.03   0.021% *  0.0116% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  14  22.40 +/- 3.94   0.063% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  14  28.21 +/- 5.00   0.026% *  0.0091% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  15  28.18 +/- 3.97   0.023% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  15  21.76 +/- 3.06   0.056% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   GLU-  36  34.17 +/- 4.52   0.014% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   GLU-  36  27.18 +/- 3.99   0.029% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 17 (2.29, 2.29, 36.10 ppm):
    4 diagonal assignments:
    *     QB    MET   11 - QB    MET   11  (1.00)  kept
          QG    GLU-  14 - QG    GLU-  14  (0.18)  kept
          QG    GLU-  15 - QG    GLU-  15  (0.18)  kept
          HG3   GLU-  36 - HG3   GLU-  36  (0.05)  kept
 
    Peak 19 (2.08, 2.29, 36.10 ppm):
    32 chemical-shift based assignments, quality = 0.831, support = 3.29, residual support = 46.9:
    * O T HG2   MET   11 - QB    MET   11   2.32 +/- 0.13  46.542% * 62.8007% (1.00  10.0 10.00   3.31  48.36) =  75.221%  kept
      O T HB2   GLU-  14 - QG    GLU-  14   2.36 +/- 0.14  44.422% * 20.3350% (0.32  10.0 10.00   3.29  45.05) =  23.247%  kept
        T HB2   GLU-  14 - QG    GLU-  15   5.66 +/- 0.74   3.874% * 15.1066% (0.24   1.0 10.00   2.36   1.70) =   1.506%  kept
        T HB2   GLU-  14 - QB    MET   11   9.41 +/- 1.24   1.001% *  0.6266% (1.00   1.0 10.00   0.02   0.02) =   0.016%
        T HG2   MET   11 - QG    GLU-  14   9.83 +/- 1.51   0.917% *  0.2038% (0.32   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   MET   11 - QG    GLU-  15  11.34 +/- 1.73   0.549% *  0.1514% (0.24   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   GLU-  14 - HG3   GLU-  36  15.11 +/- 5.49   0.425% *  0.0781% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HG3   GLU-  36  18.14 +/- 6.23   0.326% *  0.0783% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - QG    GLU-  15  14.48 +/- 4.46   0.700% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QB    MET   11  33.20 +/- 5.14   0.021% *  0.1100% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    MET   11  21.78 +/- 5.18   0.124% *  0.0175% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   GLU-  36  29.15 +/- 3.39   0.028% *  0.0767% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QB    MET   11  29.96 +/- 4.16   0.026% *  0.0616% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  14  16.90 +/- 4.98   0.256% *  0.0057% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  14  26.86 +/- 4.66   0.040% *  0.0357% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   GLU-  36  34.29 +/- 3.88   0.018% *  0.0767% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  14  23.41 +/- 3.97   0.057% *  0.0200% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  15  26.52 +/- 4.16   0.041% *  0.0265% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QB    MET   11  35.25 +/- 4.75   0.018% *  0.0616% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  15  22.83 +/- 2.97   0.055% *  0.0148% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    MET   11  31.01 +/- 4.89   0.028% *  0.0258% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  14  28.74 +/- 4.36   0.029% *  0.0200% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  15  28.51 +/- 3.44   0.028% *  0.0148% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   GLU-  36  19.30 +/- 4.60   0.182% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  15  24.05 +/- 3.88   0.062% *  0.0062% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  14  24.89 +/- 3.32   0.044% *  0.0084% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   GLU-  36  32.60 +/- 5.12   0.023% *  0.0137% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QB    MET   11  33.03 +/- 4.19   0.020% *  0.0085% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   GLU-  36  28.60 +/- 3.73   0.033% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  14  27.23 +/- 3.49   0.039% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  15  25.72 +/- 3.21   0.046% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   GLU-  36  29.54 +/- 2.72   0.024% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 20 (1.92, 2.29, 36.10 ppm):
    28 chemical-shift based assignments, quality = 0.816, support = 3.28, residual support = 46.7:
    * O T HG3   MET   11 - QB    MET   11   2.45 +/- 0.12  42.292% * 64.2177% (1.00  10.0 10.00   3.31  48.36) =  73.689%  kept
      O T HB3   GLU-  14 - QG    GLU-  14   2.39 +/- 0.10  45.653% * 19.7139% (0.31  10.0 10.00   3.29  45.05) =  24.419%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.46 +/- 0.70   4.696% * 14.6452% (0.23   1.0 10.00   2.22   1.70) =   1.866%  kept
        T HB3   GLU-  14 - QB    MET   11   9.67 +/- 1.28   0.815% *  0.6075% (0.95   1.0 10.00   0.02   0.02) =   0.013%
        T HG3   MET   11 - QG    GLU-  14  10.21 +/- 1.70   1.250% *  0.2084% (0.32   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   MET   11 - QG    GLU-  15  11.68 +/- 1.68   0.513% *  0.1548% (0.24   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   GLU-  14 - HG3   GLU-  36  14.95 +/- 5.33   0.511% *  0.0757% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   MET   11 - HG3   GLU-  36  18.12 +/- 5.95   0.314% *  0.0800% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   40 - QG    GLU-  15  12.93 +/- 3.62   0.618% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  26.39 +/- 3.53   0.040% *  0.0579% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  25.89 +/- 3.89   0.050% *  0.0430% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QB    MET   11  18.28 +/- 3.25   0.170% *  0.0112% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  27.03 +/- 4.09   0.042% *  0.0441% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG3   GLU-  36  13.31 +/- 2.46   0.710% *  0.0025% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  15  11.51 +/- 2.18   0.606% *  0.0027% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  14  13.02 +/- 2.71   0.439% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  19.64 +/- 3.71   0.138% *  0.0106% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  21.80 +/- 3.60   0.073% *  0.0198% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  21.27 +/- 3.51   0.094% *  0.0143% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  16.51 +/- 3.74   0.205% *  0.0064% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  28.75 +/- 4.41   0.035% *  0.0288% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  22.12 +/- 4.43   0.087% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  32.36 +/- 5.57   0.034% *  0.0179% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   GLU-  36  12.11 +/- 1.28   0.396% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  21.68 +/- 3.19   0.076% *  0.0069% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG3   GLU-  36  22.51 +/- 3.34   0.076% *  0.0055% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   GLU-  36  27.89 +/- 3.41   0.034% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   GLU-  36  30.65 +/- 4.02   0.034% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 26 (4.31, 4.31, 53.06 ppm):
    1 diagonal assignment:
    *     HA    ALA   12 - HA    ALA   12  (0.75)  kept
 
    Peak 27 (1.39, 4.31, 53.06 ppm):
    13 chemical-shift based assignments, quality = 0.821, support = 2.0, residual support = 12.4:
    * O T QB    ALA   12 - HA    ALA   12   2.13 +/- 0.02  98.217% * 99.1918% (0.82  10.0 10.00   2.00  12.37) =  99.999%  kept
          HG3   LYS+  33 - HA    ALA   12  15.62 +/- 3.81   0.525% *  0.0992% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    ALA   12  22.44 +/- 4.74   0.243% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   12  20.38 +/- 4.59   0.194% *  0.0876% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   12  22.80 +/- 4.53   0.118% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   12  29.06 +/- 6.64   0.105% *  0.0840% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   12  23.53 +/- 3.25   0.091% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   12  20.32 +/- 3.91   0.181% *  0.0470% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   12  29.50 +/- 4.78   0.067% *  0.0636% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   12  25.96 +/- 6.04   0.126% *  0.0292% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   12  29.25 +/- 6.21   0.073% *  0.0431% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   12  35.75 +/- 4.40   0.025% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   12  31.98 +/- 4.69   0.038% *  0.0142% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 28 (4.31, 1.39, 19.22 ppm):
    9 chemical-shift based assignments, quality = 0.816, support = 2.0, residual support = 12.4:
    * O T HA    ALA   12 - QB    ALA   12   2.13 +/- 0.02  81.007% * 94.5609% (0.82  10.0 10.00   2.00  12.37) =  99.235%  kept
          HA    MET   11 - QB    ALA   12   3.87 +/- 0.16  13.649% *  3.9260% (0.24   1.0  1.00   2.89  12.05) =   0.694%  kept
          HA    GLU-  14 - QB    ALA   12   5.87 +/- 0.71   4.447% *  1.2226% (0.89   1.0  1.00   0.24   0.02) =   0.070%
          HA    LEU  104 - QB    ALA   12  23.69 +/- 5.45   0.185% *  0.1031% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    ALA   12  25.74 +/- 5.35   0.106% *  0.0978% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   12  23.02 +/- 5.26   0.239% *  0.0191% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   12  26.89 +/- 5.46   0.192% *  0.0191% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    ALA   12  25.33 +/- 4.87   0.086% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   12  21.86 +/- 2.75   0.089% *  0.0243% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 29 (1.39, 1.39, 19.22 ppm):
    1 diagonal assignment:
    *     QB    ALA   12 - QB    ALA   12  (0.89)  kept
 
    Peak 30 (4.41, 4.41, 58.75 ppm):
    3 diagonal assignments:
    *     HA    SER   13 - HA    SER   13  (1.00)  kept
          HA    THR   46 - HA    THR   46  (0.39)  kept
          HA    SER   37 - HA    SER   37  (0.30)  kept
 
    Peak 31 (3.86, 4.41, 58.75 ppm):
    24 chemical-shift based assignments, quality = 0.863, support = 2.11, residual support = 12.6:
    * O T QB    SER   13 - HA    SER   13   2.43 +/- 0.12  49.093% * 63.6100% (1.00  10.0 10.00   1.93   6.22) =  72.399%  kept
      O T HB3   SER   37 - HA    SER   37   2.70 +/- 0.24  36.717% * 32.1537% (0.51  10.0 10.00   2.58  29.69) =  27.371%  kept
          HB    THR   39 - HA    SER   37   5.96 +/- 0.91   4.459% *  2.0300% (0.53   1.0  1.00   1.20   4.22) =   0.210%  kept
        T HB3   SER   37 - HA    SER   13  15.29 +/- 5.41   0.524% *  0.6017% (0.95   1.0 10.00   0.02   0.02) =   0.007%
        T QB    SER   13 - HA    SER   37  14.06 +/- 4.95   0.853% *  0.3399% (0.53   1.0 10.00   0.02   0.02) =   0.007%
          HA    ILE   89 - HA    THR   46   9.10 +/- 2.34   3.921% *  0.0364% (0.57   1.0  1.00   0.02   0.02) =   0.003%
        T HB3   SER   37 - HA    THR   46  23.60 +/- 2.90   0.065% *  0.3642% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   39 - HA    SER   13  16.96 +/- 5.85   0.321% *  0.0635% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  25.18 +/- 4.21   0.053% *  0.3850% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  13.37 +/- 2.71   0.835% *  0.0234% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    THR   46   9.74 +/- 2.11   1.139% *  0.0131% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  16.00 +/- 2.39   0.205% *  0.0334% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   37  11.02 +/- 1.82   0.677% *  0.0095% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   13  14.57 +/- 3.22   0.355% *  0.0177% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  26.28 +/- 6.71   0.152% *  0.0295% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  27.61 +/- 6.05   0.063% *  0.0552% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  20.57 +/- 1.87   0.084% *  0.0384% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  25.74 +/- 3.98   0.085% *  0.0322% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  29.61 +/- 4.70   0.036% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   46  20.64 +/- 3.36   0.198% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  24.59 +/- 3.87   0.085% *  0.0206% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  28.61 +/- 4.10   0.037% *  0.0386% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   13  34.42 +/- 4.66   0.020% *  0.0217% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   37  31.96 +/- 3.63   0.025% *  0.0116% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 32 (4.41, 3.86, 64.22 ppm):
    22 chemical-shift based assignments, quality = 0.867, support = 2.11, residual support = 12.8:
    * O T HA    SER   13 - QB    SER   13   2.43 +/- 0.12  45.790% * 63.0165% (1.00  10.0 10.00   1.93   6.22) =  71.603%  kept
      O T HA    SER   37 - HB3   SER   37   2.70 +/- 0.24  34.131% * 33.3461% (0.53  10.0 10.00   2.58  29.69) =  28.242%  kept
          HA    GLU-  15 - QB    SER   13   6.42 +/- 1.13   3.703% *  1.4224% (1.00   1.0  1.00   0.45   0.02) =   0.131%  kept
        T HA    SER   13 - HB3   SER   37  15.29 +/- 5.41   0.489% *  0.5890% (0.93   1.0 10.00   0.02   0.02) =   0.007%
        T HA    SER   37 - QB    SER   13  14.06 +/- 4.95   0.796% *  0.3568% (0.57   1.0 10.00   0.02   0.02) =   0.007%
          HA    LEU   40 - HB3   SER   37   8.16 +/- 1.57   2.562% *  0.0557% (0.88   1.0  1.00   0.02   0.71) =   0.004%
          HA    GLU-  15 - HB3   SER   37  10.96 +/- 4.32   1.092% *  0.0589% (0.93   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - QB    SER   13  19.38 +/- 5.50   5.106% *  0.0085% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - QB    SER   13   9.90 +/- 1.90   1.180% *  0.0357% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HB3   SER   37   6.58 +/- 0.66   2.584% *  0.0131% (0.21   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   46 - HB3   SER   37  23.60 +/- 2.90   0.061% *  0.3810% (0.60   1.0 10.00   0.02   0.02) =   0.001%
        T HA    THR   46 - QB    SER   13  25.18 +/- 4.21   0.049% *  0.4077% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  12.69 +/- 3.69   0.528% *  0.0333% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  17.53 +/- 3.66   0.193% *  0.0596% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    SER   13  15.78 +/- 4.52   0.763% *  0.0140% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   SER   37  13.89 +/- 6.83   0.566% *  0.0080% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  22.62 +/- 2.74   0.069% *  0.0588% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  23.39 +/- 3.75   0.062% *  0.0629% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    SER   13  25.37 +/- 6.34   0.107% *  0.0215% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   SER   37  24.66 +/- 5.84   0.087% *  0.0201% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   SER   37  26.23 +/- 3.37   0.046% *  0.0147% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    SER   13  27.11 +/- 3.54   0.037% *  0.0157% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 33 (3.86, 3.86, 64.22 ppm):
    2 diagonal assignments:
    *     QB    SER   13 - QB    SER   13  (1.00)  kept
          HB3   SER   37 - HB3   SER   37  (0.88)  kept
 
    Peak 34 (4.31, 4.31, 56.62 ppm):
    2 diagonal assignments:
    *     HA    GLU-  14 - HA    GLU-  14  (1.00)  kept
          HA    MET   11 - HA    MET   11  (0.16)  kept
 
    Peak 35 (2.08, 4.31, 56.62 ppm):
    16 chemical-shift based assignments, quality = 0.866, support = 3.28, residual support = 45.8:
    * O T HB2   GLU-  14 - HA    GLU-  14   2.77 +/- 0.21  55.590% * 70.8449% (1.00  10.0 10.00   3.08  45.05) =  77.992%  kept
      O T HG2   MET   11 - HA    MET   11   3.32 +/- 0.73  40.016% * 27.7398% (0.39  10.0 10.00   4.00  48.36) =  21.983%  kept
        T HG2   MET   11 - HA    GLU-  14  10.46 +/- 1.28   1.242% *  0.7069% (1.00   1.0 10.00   0.02   0.02) =   0.017%
        T HB2   GLU-  14 - HA    MET   11  10.26 +/- 1.37   1.261% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.007%
          HB2   PRO   68 - HA    GLU-  14  18.39 +/- 5.83   0.380% *  0.0219% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    GLU-  14  14.85 +/- 3.50   0.595% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  30.68 +/- 4.75   0.055% *  0.1093% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  26.67 +/- 4.20   0.082% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  32.87 +/- 4.26   0.040% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    MET   11  17.98 +/- 4.47   0.416% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  28.36 +/- 3.78   0.063% *  0.0266% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  36.90 +/- 5.43   0.029% *  0.0429% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  24.02 +/- 5.70   0.128% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  33.21 +/- 4.87   0.039% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  39.17 +/- 4.94   0.025% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  34.46 +/- 5.44   0.038% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 36 (2.27, 4.31, 56.62 ppm):
    18 chemical-shift based assignments, quality = 0.872, support = 3.42, residual support = 41.0:
    * O T QG    GLU-  14 - HA    GLU-  14   2.42 +/- 0.44  45.386% * 45.0668% (1.00  10.0 10.00   3.57  45.05) =  73.541%  kept
      O T QB    MET   11 - HA    MET   11   2.39 +/- 0.16  44.196% * 10.0127% (0.22  10.0 10.00   3.37  48.36) =  15.911%  kept
        T QG    GLU-  15 - HA    GLU-  14   4.73 +/- 0.69   6.732% * 43.4925% (0.97   1.0 10.00   2.52   1.70) =  10.527%  kept
        T QB    MET   11 - HA    GLU-  14   9.19 +/- 1.12   0.958% *  0.2551% (0.57   1.0 10.00   0.02   0.02) =   0.009%
        T QG    GLU-  15 - HA    MET   11  10.70 +/- 1.97   0.918% *  0.1707% (0.38   1.0 10.00   0.02   0.02) =   0.006%
        T QG    GLU-  14 - HA    MET   11   9.46 +/- 1.01   0.813% *  0.1769% (0.39   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   ASP-  44 - HA    GLU-  14  21.02 +/- 3.09   0.076% *  0.4497% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HA    GLU-  14  16.14 +/- 3.52   0.187% *  0.0447% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   11  27.59 +/- 3.46   0.032% *  0.1765% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  14  16.14 +/- 2.83   0.212% *  0.0139% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  14  26.85 +/- 4.61   0.062% *  0.0435% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    MET   11  31.64 +/- 6.69   0.104% *  0.0171% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  14  26.09 +/- 3.73   0.041% *  0.0310% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   11  22.99 +/- 3.37   0.057% *  0.0175% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   11  19.82 +/- 4.48   0.158% *  0.0055% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   11  32.53 +/- 4.59   0.024% *  0.0121% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  14  30.65 +/- 4.38   0.024% *  0.0100% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    MET   11  36.49 +/- 6.28   0.021% *  0.0039% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 38 (4.31, 2.08, 30.50 ppm):
    30 chemical-shift based assignments, quality = 0.907, support = 3.17, residual support = 44.9:
    * O T HA    GLU-  14 - HB2   GLU-  14   2.77 +/- 0.21  45.523% * 80.7102% (1.00  10.0 10.00   3.08  45.05) =  88.625%  kept
      O T HA    MET   11 - HG2   MET   11   3.32 +/- 0.73  33.407% * 12.4255% (0.15  10.0 10.00   4.00  48.36) =  10.013%  kept
          HA    ALA   12 - HG2   MET   11   4.94 +/- 0.87  11.793% *  4.3457% (0.37   1.0  1.00   2.93  12.05) =   1.236%  kept
          HA    ALA   12 - HB2   GLU-  14   7.27 +/- 1.11   3.424% *  1.3194% (0.98   1.0  1.00   0.33   0.02) =   0.109%  kept
        T HA    MET   11 - HB2   GLU-  14  10.26 +/- 1.37   1.027% *  0.3318% (0.41   1.0 10.00   0.02   0.02) =   0.008%
        T HA    GLU-  14 - HG2   MET   11  10.46 +/- 1.28   1.018% *  0.3022% (0.37   1.0 10.00   0.02   0.02) =   0.007%
          HB    THR   77 - HB2   GLU-  14  23.89 +/- 5.45   0.730% *  0.0249% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  27.75 +/- 4.93   0.078% *  0.0800% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   GLU-  14  25.42 +/- 4.79   0.089% *  0.0646% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  30.68 +/- 4.75   0.045% *  0.1187% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  22.09 +/- 2.82   0.110% *  0.0303% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  32.92 +/- 7.94   0.097% *  0.0300% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  34.34 +/- 8.12   0.300% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  23.35 +/- 4.66   0.153% *  0.0180% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  16.08 +/- 4.74   0.631% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  14.56 +/- 2.34   0.421% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  28.95 +/- 4.84   0.073% *  0.0249% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  30.01 +/- 7.26   0.140% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  36.90 +/- 5.43   0.024% *  0.0488% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HG2   MET   11  31.39 +/- 5.65   0.044% *  0.0242% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  25.05 +/- 3.72   0.087% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   GLU-  14  26.94 +/- 4.56   0.083% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ARG+  54  25.34 +/- 3.79   0.092% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  28.98 +/- 4.26   0.051% *  0.0113% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  22.03 +/- 3.93   0.152% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  29.33 +/- 5.41   0.062% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  34.77 +/- 4.82   0.029% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HG2   MET   11  32.65 +/- 7.29   0.075% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  24.75 +/- 3.62   0.108% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   ARG+  54  23.09 +/- 3.71   0.135% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 39 (2.08, 2.08, 30.50 ppm):
    3 diagonal assignments:
    *     HB2   GLU-  14 - HB2   GLU-  14  (1.00)  kept
          HG2   MET   11 - HG2   MET   11  (0.37)  kept
          HB2   ARG+  54 - HB2   ARG+  54  (0.02)  kept
 
    Peak 40 (2.27, 2.08, 30.50 ppm):
    27 chemical-shift based assignments, quality = 0.864, support = 3.23, residual support = 42.8:
    * O T QG    GLU-  14 - HB2   GLU-  14   2.36 +/- 0.14  44.226% * 45.4322% (1.00  10.0 10.00   3.29  45.05) =  76.536%  kept
      O T QB    MET   11 - HG2   MET   11   2.32 +/- 0.13  46.337% *  9.6322% (0.21  10.0 10.00   3.31  48.36) =  17.001%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.66 +/- 0.74   3.857% * 43.8452% (0.97   1.0 10.00   2.36   1.70) =   6.442%  kept
        T QB    MET   11 - HB2   GLU-  14   9.41 +/- 1.24   0.996% *  0.2572% (0.57   1.0 10.00   0.02   0.02) =   0.010%
        T QG    GLU-  14 - HG2   MET   11   9.83 +/- 1.51   0.913% *  0.1701% (0.37   1.0 10.00   0.02   0.02) =   0.006%
        T QG    GLU-  15 - HG2   MET   11  11.34 +/- 1.73   0.546% *  0.1642% (0.36   1.0 10.00   0.02   0.02) =   0.003%
        T HG12  ILE  119 - HB2   ARG+  54  13.31 +/- 2.38   0.401% *  0.0459% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB2   GLU-  14  16.08 +/- 3.76   0.195% *  0.0450% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU-  14  15.66 +/- 3.52   0.293% *  0.0140% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  20.80 +/- 3.37   0.081% *  0.0453% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  31.59 +/- 7.20   0.194% *  0.0164% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  26.86 +/- 4.66   0.040% *  0.0668% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  26.52 +/- 4.16   0.041% *  0.0645% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  14.13 +/- 2.77   0.351% *  0.0067% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  26.64 +/- 4.37   0.051% *  0.0438% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  18.73 +/- 3.93   0.198% *  0.0066% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  17.30 +/- 3.36   0.203% *  0.0064% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  26.04 +/- 3.54   0.040% *  0.0312% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG2   MET   11  20.20 +/- 4.75   0.227% *  0.0053% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  23.42 +/- 4.15   0.055% *  0.0169% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ARG+  54  12.83 +/- 4.00   0.556% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  33.20 +/- 5.14   0.021% *  0.0378% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  27.92 +/- 4.20   0.032% *  0.0170% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  32.88 +/- 4.85   0.023% *  0.0117% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU-  14  30.39 +/- 4.43   0.026% *  0.0101% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ARG+  54  28.38 +/- 5.21   0.073% *  0.0021% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   MET   11  36.55 +/- 6.98   0.023% *  0.0038% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 42 (4.31, 2.27, 36.31 ppm):
    30 chemical-shift based assignments, quality = 0.897, support = 3.43, residual support = 40.7:
    * O T HA    GLU-  14 - QG    GLU-  14   2.42 +/- 0.44  36.655% * 48.1407% (1.00  10.0 10.00   3.57  45.05) =  79.184%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.73 +/- 0.69   5.389% * 42.3565% (0.88   1.0 10.00   2.52   1.70) =  10.243%  kept
      O T HA    MET   11 - QB    MET   11   2.39 +/- 0.16  34.574% *  6.4227% (0.13  10.0 10.00   3.37  48.36) =   9.965%  kept
          HA    ALA   12 - QB    MET   11   4.09 +/- 0.20   7.268% *  1.7712% (0.32   1.0  1.00   2.31  12.05) =   0.578%  kept
        T HA    MET   11 - QG    GLU-  15  10.70 +/- 1.97   0.739% *  0.1741% (0.36   1.0 10.00   0.02   0.02) =   0.006%
        T HA    MET   11 - QG    GLU-  14   9.46 +/- 1.01   0.649% *  0.1979% (0.41   1.0 10.00   0.02   0.02) =   0.006%
          HB    THR   77 - QG    GLU-  15  20.73 +/- 6.60   9.218% *  0.0131% (0.27   1.0  1.00   0.02   0.02) =   0.005%
        T HA    GLU-  14 - QB    MET   11   9.19 +/- 1.12   0.765% *  0.1562% (0.32   1.0 10.00   0.02   0.02) =   0.005%
          HA    ALA   12 - QG    GLU-  14   6.85 +/- 0.78   1.673% *  0.0472% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          HA    ALA   12 - QG    GLU-  15   8.55 +/- 1.44   1.253% *  0.0415% (0.86   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ASP-  44 - QG    GLU-  15  18.31 +/- 2.72   0.096% *  0.1590% (0.33   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  14  19.57 +/- 2.60   0.076% *  0.1807% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   77 - QG    GLU-  14  21.04 +/- 5.00   0.412% *  0.0149% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  15  20.21 +/- 4.51   0.111% *  0.0339% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  14  22.92 +/- 4.84   0.094% *  0.0385% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  24.59 +/- 4.43   0.073% *  0.0477% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  23.91 +/- 4.55   0.063% *  0.0420% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  25.91 +/- 3.31   0.030% *  0.0586% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  18.60 +/- 4.44   0.160% *  0.0094% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  21.05 +/- 4.83   0.121% *  0.0107% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  25.05 +/- 4.99   0.073% *  0.0131% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  25.57 +/- 4.54   0.057% *  0.0149% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  29.67 +/- 6.78   0.039% *  0.0155% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    MET   11  27.93 +/- 4.82   0.038% *  0.0125% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  14  23.93 +/- 4.12   0.071% *  0.0065% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  30.93 +/- 6.88   0.089% *  0.0048% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  15  22.81 +/- 4.37   0.072% *  0.0057% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  26.98 +/- 6.42   0.059% *  0.0048% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  26.16 +/- 4.40   0.047% *  0.0035% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    MET   11  29.38 +/- 6.13   0.033% *  0.0021% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 44 (2.27, 2.27, 36.31 ppm):
    3 diagonal assignments:
    *     QG    GLU-  14 - QG    GLU-  14  (1.00)  kept
          QG    GLU-  15 - QG    GLU-  15  (0.85)  kept
          QB    MET   11 - QB    MET   11  (0.18)  kept
 
    Peak 45 (1.92, 2.27, 36.31 ppm):
    18 chemical-shift based assignments, quality = 0.848, support = 3.22, residual support = 42.9:
    * O T HB3   GLU-  14 - QG    GLU-  14   2.39 +/- 0.10  47.204% * 45.1588% (1.00  10.0 10.00   3.29  45.05) =  72.709%  kept
      O T HG3   MET   11 - QB    MET   11   2.45 +/- 0.12  43.731% * 13.8631% (0.31  10.0 10.00   3.31  48.36) =  20.678%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.46 +/- 0.70   4.856% * 39.7329% (0.88   1.0 10.00   2.22   1.70) =   6.581%  kept
        T HG3   MET   11 - QG    GLU-  14  10.21 +/- 1.70   1.293% *  0.4272% (0.95   1.0 10.00   0.02   0.02) =   0.019%
        T HG3   MET   11 - QG    GLU-  15  11.68 +/- 1.68   0.531% *  0.3759% (0.83   1.0 10.00   0.02   0.02) =   0.007%
        T HB3   GLU-  14 - QB    MET   11   9.67 +/- 1.28   0.842% *  0.1466% (0.32   1.0 10.00   0.02   0.02) =   0.004%
          HB2   LEU   40 - QG    GLU-  15  12.93 +/- 3.62   0.639% *  0.0193% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  19.64 +/- 3.71   0.142% *  0.0345% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  16.51 +/- 3.74   0.212% *  0.0220% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  21.27 +/- 3.51   0.097% *  0.0392% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  25.89 +/- 3.89   0.052% *  0.0613% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  26.39 +/- 3.53   0.042% *  0.0697% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  22.12 +/- 4.43   0.090% *  0.0126% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  21.68 +/- 3.19   0.078% *  0.0110% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  27.03 +/- 4.09   0.043% *  0.0127% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  21.80 +/- 3.60   0.076% *  0.0071% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  28.75 +/- 4.41   0.037% *  0.0041% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  32.36 +/- 5.57   0.036% *  0.0023% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 50 (4.41, 4.41, 56.54 ppm):
    3 diagonal assignments:
    *     HA    GLU-  15 - HA    GLU-  15  (1.00)  kept
          HA    LEU   40 - HA    LEU   40  (0.76)  kept
          HA    ASN   35 - HA    ASN   35  (0.04)  kept
 
    Peak 51 (2.27, 4.41, 56.54 ppm):
    27 chemical-shift based assignments, quality = 0.993, support = 2.2, residual support = 8.59:
    * O T QG    GLU-  15 - HA    GLU-  15   2.54 +/- 0.55  63.091% * 49.8424% (1.00  10.0 10.00   2.11  10.14) =  81.652%  kept
        T QG    GLU-  14 - HA    GLU-  15   4.88 +/- 0.83  14.652% * 48.1014% (0.97   1.0 10.00   2.60   1.70) =  18.300%  kept
        T QG    GLU-  15 - HA    LEU   40  12.94 +/- 3.33   1.165% *  0.4031% (0.81   1.0 10.00   0.02   0.02) =   0.012%
        T QB    MET   11 - HA    GLU-  15  11.41 +/- 1.23   0.848% *  0.3619% (0.73   1.0 10.00   0.02   0.02) =   0.008%
        T QG    GLU-  15 - HA    ASN   35  12.02 +/- 3.76   3.182% *  0.0924% (0.19   1.0 10.00   0.02   0.02) =   0.008%
          HB3   PHE   72 - HA    LEU   40   7.06 +/- 1.95   6.856% *  0.0372% (0.75   1.0  1.00   0.02   0.02) =   0.007%
        T QG    GLU-  14 - HA    LEU   40  16.58 +/- 3.32   0.440% *  0.3890% (0.78   1.0 10.00   0.02   0.02) =   0.004%
        T QG    GLU-  14 - HA    ASN   35  15.69 +/- 4.35   1.131% *  0.0892% (0.18   1.0 10.00   0.02   0.02) =   0.003%
        T QB    MET   11 - HA    LEU   40  21.61 +/- 3.45   0.187% *  0.2927% (0.59   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HA    GLU-  15  12.62 +/- 3.53   1.122% *  0.0460% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HA    LEU   40  11.83 +/- 1.48   0.894% *  0.0395% (0.79   1.0  1.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HA    ASN   35  19.17 +/- 4.50   0.314% *  0.0671% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HA    GLU-  15  17.95 +/- 3.11   0.355% *  0.0489% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   40  19.25 +/- 3.11   0.264% *  0.0350% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   40  17.40 +/- 3.65   0.433% *  0.0212% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ASN   35  11.94 +/- 2.27   0.932% *  0.0085% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  15  14.21 +/- 2.44   0.718% *  0.0099% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  15  24.38 +/- 4.86   0.147% *  0.0432% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   40  15.42 +/- 1.99   0.522% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASN   35  22.89 +/- 4.61   0.508% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  15  23.37 +/- 3.39   0.153% *  0.0262% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   40  22.24 +/- 3.52   0.649% *  0.0055% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ASN   35  17.53 +/- 2.07   0.289% *  0.0091% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASN   35  12.42 +/- 0.78   0.718% *  0.0018% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  15  28.09 +/- 4.62   0.146% *  0.0067% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASN   35  24.02 +/- 3.53   0.111% *  0.0049% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASN   35  27.52 +/- 4.66   0.172% *  0.0013% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 52 (2.01, 4.41, 56.54 ppm):
    36 chemical-shift based assignments, quality = 0.999, support = 3.05, residual support = 9.79:
    * O T QB    GLU-  15 - HA    GLU-  15   2.41 +/- 0.15  54.582% * 74.7895% (1.00  10.0 10.00   3.14  10.14) =  96.492%  kept
        T HB2   GLN   17 - HA    GLU-  15   5.52 +/- 0.88   6.566% * 22.1898% (1.00   1.0 10.00   0.59   0.02) =   3.444%  kept
        T QB    GLU-  15 - HA    LEU   40  12.92 +/- 3.87   1.060% *  0.6048% (0.81   1.0 10.00   0.02   0.02) =   0.015%
        T HB3   PRO   68 - HA    LEU   40  13.29 +/- 2.26   1.210% *  0.4843% (0.65   1.0 10.00   0.02   0.02) =   0.014%
        T HB2   GLN   17 - HA    LEU   40  14.56 +/- 3.39   0.934% *  0.6048% (0.81   1.0 10.00   0.02   0.02) =   0.013%
        T HB3   PRO   68 - HA    GLU-  15  16.12 +/- 5.38   0.443% *  0.5989% (0.80   1.0 10.00   0.02   0.02) =   0.006%
          HG2   PRO   68 - HA    LEU   40  12.39 +/- 2.72   3.871% *  0.0294% (0.39   1.0  1.00   0.02   0.02) =   0.003%
          QB    GLU-  15 - HA    ASN   35  11.93 +/- 4.18   6.838% *  0.0139% (0.19   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE   19 - HA    GLU-  15   8.00 +/- 1.40   1.931% *  0.0423% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLN   30 - HA    LEU   40  12.04 +/- 2.72   2.419% *  0.0249% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HA    LEU   40  11.80 +/- 2.86   1.687% *  0.0342% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HA    ASN   35  15.67 +/- 4.92   3.632% *  0.0139% (0.19   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    GLU-  15  10.98 +/- 2.67   1.081% *  0.0307% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HA    LEU   40  12.49 +/- 7.81   1.819% *  0.0135% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    LEU   40  10.52 +/- 2.30   1.715% *  0.0106% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLU-  15  18.27 +/- 6.86   0.696% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  15  16.48 +/- 4.47   0.311% *  0.0364% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLU-  15  11.11 +/- 2.37   0.840% *  0.0131% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ASN   35  13.22 +/- 8.43   3.142% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU-  15  19.34 +/- 2.19   0.125% *  0.0707% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ASN   35  12.47 +/- 2.49   1.082% *  0.0079% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU   40  19.71 +/- 2.11   0.124% *  0.0572% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    LEU   40  18.28 +/- 2.54   0.162% *  0.0391% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LEU   40  22.61 +/- 2.51   0.080% *  0.0599% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ASN   35  11.22 +/- 1.46   0.773% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ASN   35  18.45 +/- 3.00   0.396% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ASN   35  17.94 +/- 3.35   0.610% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  15  25.24 +/- 3.81   0.063% *  0.0484% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ASN   35   9.69 +/- 1.39   1.197% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  15  30.51 +/- 3.65   0.032% *  0.0741% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LEU   40  18.65 +/- 3.86   0.191% *  0.0106% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ASN   35  18.27 +/- 1.17   0.137% *  0.0131% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU-  15  24.48 +/- 4.08   0.076% *  0.0131% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ASN   35  24.01 +/- 3.26   0.074% *  0.0090% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ASN   35  29.08 +/- 3.33   0.040% *  0.0137% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ASN   35  25.25 +/- 3.70   0.062% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 53 (4.41, 2.27, 36.40 ppm):
    33 chemical-shift based assignments, quality = 0.978, support = 2.19, residual support = 8.68:
    * O T HA    GLU-  15 - QG    GLU-  15   2.54 +/- 0.55  48.668% * 48.4982% (1.00  10.0 10.00   2.11  10.14) =  81.719%  kept
        T HA    GLU-  15 - QG    GLU-  14   4.88 +/- 0.83  10.744% * 42.6711% (0.88   1.0 10.00   2.60   1.70) =  15.872%  kept
          HA    SER   13 - QG    GLU-  14   4.92 +/- 0.73   9.726% *  5.4452% (0.88   1.0  1.00   2.55   6.60) =   1.833%  kept
          HA    SER   13 - QG    GLU-  15   6.29 +/- 1.28   9.049% *  1.6945% (1.00   1.0  1.00   0.70   0.02) =   0.531%  kept
        T HA    LEU   40 - QG    GLU-  15  12.94 +/- 3.33   0.876% *  0.4588% (0.95   1.0 10.00   0.02   0.02) =   0.014%
        T HA    ASN   35 - QG    GLU-  15  12.02 +/- 3.76   2.507% *  0.1080% (0.22   1.0 10.00   0.02   0.02) =   0.009%
        T HA    LEU   40 - QG    GLU-  14  16.58 +/- 3.32   0.324% *  0.4037% (0.83   1.0 10.00   0.02   0.02) =   0.005%
        T HA    ASN   35 - QG    GLU-  14  15.69 +/- 4.35   0.884% *  0.0950% (0.20   1.0 10.00   0.02   0.02) =   0.003%
          HA    GLN   17 - QG    GLU-  15   6.88 +/- 0.48   2.944% *  0.0275% (0.57   1.0  1.00   0.02   0.02) =   0.003%
        T HA    GLU-  15 - QB    MET   11  11.41 +/- 1.23   0.625% *  0.1169% (0.24   1.0 10.00   0.02   0.02) =   0.003%
          HA    GLN   17 - QG    GLU-  14   7.76 +/- 1.06   2.662% *  0.0242% (0.50   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   37 - QG    GLU-  15   9.89 +/- 4.13   2.127% *  0.0275% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   13 - QB    MET   11   6.63 +/- 0.66   3.560% *  0.0117% (0.24   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LEU   40 - QB    MET   11  21.61 +/- 3.45   0.138% *  0.1106% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   37 - QG    GLU-  14  14.26 +/- 4.32   0.573% *  0.0242% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  14  20.94 +/- 4.22   0.236% *  0.0426% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  14  23.62 +/- 5.96   0.641% *  0.0146% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  15  20.42 +/- 2.98   0.159% *  0.0484% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QB    MET   11  19.17 +/- 4.50   0.234% *  0.0260% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  15  15.52 +/- 5.72   0.831% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    MET   11  14.67 +/- 2.67   0.770% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  15  22.30 +/- 5.58   0.206% *  0.0165% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  14  22.92 +/- 3.79   0.112% *  0.0276% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  15  22.48 +/- 3.34   0.093% *  0.0314% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    MET   11  17.29 +/- 5.09   0.437% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  14  18.52 +/- 5.44   0.312% *  0.0058% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  14  24.70 +/- 3.23   0.096% *  0.0106% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  15  24.08 +/- 2.65   0.078% *  0.0121% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    MET   11  27.74 +/- 4.01   0.059% *  0.0117% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    MET   11  29.07 +/- 6.53   0.101% *  0.0040% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    MET   11  29.33 +/- 4.63   0.053% *  0.0076% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    MET   11  23.41 +/- 5.56   0.140% *  0.0016% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    MET   11  31.38 +/- 3.80   0.036% *  0.0029% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 55 (2.27, 2.27, 36.40 ppm):
    3 diagonal assignments:
    *     QG    GLU-  15 - QG    GLU-  15  (1.00)  kept
          QG    GLU-  14 - QG    GLU-  14  (0.85)  kept
          QB    MET   11 - QB    MET   11  (0.18)  kept
 
    Peak 59 (4.04, 4.04, 45.84 ppm):
    1 diagonal assignment:
    *     HA1   GLY   16 - HA1   GLY   16  (1.00)  kept
 
    Peak 60 (4.42, 4.42, 54.38 ppm):
    1 diagonal assignment:
    *     HA    GLN   17 - HA    GLN   17  (1.00)  kept
 
    Peak 61 (2.01, 4.42, 54.38 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 4.09, residual support = 83.9:
    * O T HB2   GLN   17 - HA    GLN   17   2.67 +/- 0.26  73.865% * 89.2898% (1.00  10.0 10.00   4.13  84.92) =  98.806%  kept
        T QB    GLU-  15 - HA    GLN   17   6.56 +/- 0.67   7.945% *  9.5826% (1.00   1.0 10.00   0.21   0.02) =   1.141%  kept
        T HB3   PRO   68 - HA    GLN   17  12.80 +/- 6.16   4.355% *  0.7150% (0.80   1.0 10.00   0.02   0.02) =   0.047%
          HB    ILE   19 - HA    GLN   17   7.94 +/- 0.68   3.152% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLU- 100 - HA    GLN   17  19.02 +/- 6.48   4.650% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HA    GLN   17  13.00 +/- 5.42   1.824% *  0.0435% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    GLN   17  11.72 +/- 2.40   1.901% *  0.0367% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    GLN   17  11.75 +/- 2.15   1.342% *  0.0156% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLN   17  19.91 +/- 2.01   0.245% *  0.0845% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLN   17  21.56 +/- 4.49   0.290% *  0.0578% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLN   17  26.23 +/- 4.30   0.113% *  0.0885% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   17  20.23 +/- 4.84   0.318% *  0.0156% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 62 (2.21, 4.42, 54.38 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.8:
    * O T QG    GLN   17 - HA    GLN   17   2.69 +/- 0.52  82.795% * 98.5118% (0.76  10.0 10.00   4.31  84.92) =  99.921%  kept
        T HB    VAL   70 - HA    GLN   17  10.18 +/- 4.40   4.711% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.062%
          HB2   MET   96 - HA    GLN   17  17.33 +/- 4.31   8.508% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.013%
          HG2   GLU- 100 - HA    GLN   17  18.54 +/- 6.24   1.945% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  76 - HA    GLN   17  16.16 +/- 3.88   1.325% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HA    GLN   17  19.25 +/- 1.79   0.334% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   17  20.05 +/- 4.52   0.382% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 63 (4.42, 2.01, 31.84 ppm):
    24 chemical-shift based assignments, quality = 0.201, support = 3.61, residual support = 49.9:
    * O T HA    GLN   17 - HB2   GLN   17   2.67 +/- 0.26  33.489% * 50.0582% (0.24  10.0 10.00   4.13  84.92) =  53.468%  kept
      O T HA    GLU-  15 - QB    GLU-  15   2.41 +/- 0.15  43.710% * 31.8105% (0.15  10.0 10.00   3.14  10.14) =  44.348%  kept
        T HA    GLU-  15 - HB2   GLN   17   5.52 +/- 0.88   5.490% *  8.4086% (0.14   1.0 10.00   0.59   0.02) =   1.472%  kept
        T HA    GLN   17 - QB    GLU-  15   6.56 +/- 0.67   3.100% *  6.0300% (0.27   1.0 10.00   0.21   0.02) =   0.596%  kept
        T HA    GLN   17 - HB3   PRO   68  12.80 +/- 6.16   1.634% *  1.2560% (0.61   1.0 10.00   0.02   0.02) =   0.065%
        T HA    LEU   40 - HB3   PRO   68  13.29 +/- 2.26   1.071% *  0.4714% (0.23   1.0 10.00   0.02   0.02) =   0.016%
        T HA    GLU-  15 - HB3   PRO   68  16.12 +/- 5.38   0.362% *  0.7111% (0.34   1.0 10.00   0.02   0.02) =   0.008%
        T HA    LEU   40 - QB    GLU-  15  12.92 +/- 3.87   1.029% *  0.2109% (0.10   1.0 10.00   0.02   0.02) =   0.007%
        T HA    LEU   40 - HB2   GLN   17  14.56 +/- 3.39   0.954% *  0.1879% (0.09   1.0 10.00   0.02   0.02) =   0.006%
          HA    SER   13 - QB    GLU-  15   6.05 +/- 0.88   3.334% *  0.0318% (0.15   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   37 - QB    GLU-  15   9.98 +/- 4.52   1.786% *  0.0562% (0.27   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   13 - HB2   GLN   17   9.51 +/- 1.82   1.394% *  0.0283% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB2   GLN   17  14.52 +/- 4.63   0.756% *  0.0501% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   PRO   68  14.64 +/- 2.73   0.320% *  0.0762% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB3   PRO   68  17.07 +/- 2.55   0.176% *  0.1256% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB3   PRO   68  19.93 +/- 2.52   0.097% *  0.1245% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   PRO   68  16.14 +/- 2.00   0.170% *  0.0661% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   68  20.25 +/- 6.21   0.131% *  0.0711% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    GLU-  15  15.46 +/- 2.80   0.254% *  0.0341% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   17  15.30 +/- 2.41   0.273% *  0.0304% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   GLN   17  17.96 +/- 4.57   0.205% *  0.0263% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   GLN   17  20.54 +/- 3.87   0.102% *  0.0496% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    GLU-  15  22.47 +/- 3.93   0.079% *  0.0557% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    GLU-  15  20.59 +/- 3.31   0.084% *  0.0296% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 64 (2.01, 2.01, 31.84 ppm):
    3 diagonal assignments:
          HB3   PRO   68 - HB3   PRO   68  (0.49)  kept
          QB    GLU-  15 - QB    GLU-  15  (0.27)  kept
    *     HB2   GLN   17 - HB2   GLN   17  (0.24)  kept
 
    Peak 65 (2.21, 2.01, 31.84 ppm):
    21 chemical-shift based assignments, quality = 0.2, support = 4.19, residual support = 78.9:
    * O T QG    GLN   17 - HB2   GLN   17   2.37 +/- 0.14  71.990% * 38.0846% (0.18  10.0 10.00   4.45  84.92) =  92.929%  kept
        T HB    VAL   70 - HB3   PRO   68   7.54 +/- 0.70   2.611% * 52.0644% (0.51   1.0 10.00   1.00   0.02) =   4.608%  kept
        T QG    GLN   17 - QB    GLU-  15   5.77 +/- 1.22  15.138% *  4.5877% (0.21   1.0 10.00   0.21   0.02) =   2.354%  kept
        T QG    GLN   17 - HB3   PRO   68  12.61 +/- 5.40   1.437% *  0.9555% (0.46   1.0 10.00   0.02   0.02) =   0.047%
        T HB    VAL   70 - HB2   GLN   17  11.53 +/- 3.71   1.186% *  0.4162% (0.20   1.0 10.00   0.02   0.02) =   0.017%
        T HB    VAL   70 - QB    GLU-  15  12.87 +/- 3.63   0.772% *  0.4672% (0.23   1.0 10.00   0.02   0.02) =   0.012%
        T HG2   GLU- 100 - QB    GLU-  15  15.97 +/- 6.05   0.722% *  0.3618% (0.18   1.0 10.00   0.02   0.02) =   0.009%
        T HG2   GLU- 100 - HB2   GLN   17  19.48 +/- 6.10   0.525% *  0.3224% (0.16   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   GLU- 100 - HB3   PRO   68  22.05 +/- 6.24   0.176% *  0.8088% (0.39   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   GLU-  25 - HB3   PRO   68  24.96 +/- 3.70   0.100% *  0.8088% (0.39   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   GLU-  25 - QB    GLU-  15  17.57 +/- 2.12   0.208% *  0.3618% (0.18   1.0 10.00   0.02   0.02) =   0.003%
          HB2   MET   96 - HB2   GLN   17  18.48 +/- 3.80   1.445% *  0.0494% (0.24   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   GLU-  25 - HB2   GLN   17  18.69 +/- 2.03   0.179% *  0.3224% (0.16   1.0 10.00   0.02   0.02) =   0.002%
          HB3   ASP-  76 - HB2   GLN   17  16.19 +/- 3.79   1.229% *  0.0282% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - QB    GLU-  15  18.39 +/- 4.17   0.674% *  0.0317% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HB3   PRO   68  19.45 +/- 4.92   0.491% *  0.0426% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB3   PRO   68  19.73 +/- 2.92   0.165% *  0.1239% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - QB    GLU-  15  18.92 +/- 3.32   0.355% *  0.0554% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB3   PRO   68  19.55 +/- 3.57   0.197% *  0.0708% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLN   17  21.35 +/- 4.39   0.271% *  0.0170% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QB    GLU-  15  21.20 +/- 3.29   0.128% *  0.0191% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 66 (4.42, 2.21, 33.80 ppm):
    16 chemical-shift based assignments, quality = 0.763, support = 4.3, residual support = 84.6:
    * O T HA    GLN   17 - QG    GLN   17   2.69 +/- 0.52  51.976% * 98.3822% (0.76  10.0 10.00   4.31  84.92) =  99.593%  kept
          HA    GLU-  15 - QG    GLN   17   5.01 +/- 1.23  21.205% *  0.9230% (0.43   1.0  1.00   0.33   0.02) =   0.381%  kept
        T HA    GLN   17 - HB    VAL   70  10.18 +/- 4.40   2.848% *  0.2015% (0.16   1.0 10.00   0.02   0.02) =   0.011%
          HA    SER   13 - QG    GLN   17   8.69 +/- 1.94   3.608% *  0.0557% (0.43   1.0  1.00   0.02   0.02) =   0.004%
          HA    LEU   40 - QG    GLN   17  13.01 +/- 3.67   4.378% *  0.0369% (0.29   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   37 - QG    GLN   17  13.20 +/- 4.25   1.304% *  0.0984% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   42 - HB    VAL   70   7.95 +/- 2.79   7.047% *  0.0122% (0.09   1.0  1.00   0.02   0.52) =   0.002%
          HA    VAL   42 - QG    GLN   17  13.57 +/- 2.58   0.697% *  0.0597% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB    VAL   70  13.43 +/- 2.47   1.310% *  0.0202% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - QG    GLN   17  18.12 +/- 4.01   0.257% *  0.0975% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLN   17  16.00 +/- 4.37   0.481% *  0.0518% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    VAL   70   7.69 +/- 1.27   3.205% *  0.0076% (0.06   1.0  1.00   0.02  35.70) =   0.000%
          HA    THR   46 - HB    VAL   70  15.41 +/- 1.83   0.362% *  0.0200% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    VAL   70  13.56 +/- 3.81   0.620% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB    VAL   70  13.33 +/- 1.23   0.472% *  0.0106% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    VAL   70  18.99 +/- 4.08   0.230% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 67 (2.01, 2.21, 33.80 ppm):
    24 chemical-shift based assignments, quality = 0.764, support = 4.35, residual support = 83.0:
    * O T HB2   GLN   17 - QG    GLN   17   2.37 +/- 0.14  61.286% * 87.7729% (0.76  10.0 10.00   4.45  84.92) =  97.736%  kept
        T QB    GLU-  15 - QG    GLN   17   5.77 +/- 1.22  12.963% *  9.4198% (0.76   1.0 10.00   0.21   0.02) =   2.219%  kept
        T HB3   PRO   68 - QG    GLN   17  12.61 +/- 5.40   1.229% *  0.7028% (0.61   1.0 10.00   0.02   0.02) =   0.016%
        T HB3   GLU- 100 - QG    GLN   17  17.55 +/- 5.84   1.721% *  0.1954% (0.17   1.0 10.00   0.02   0.02) =   0.006%
        T HB3   PRO   68 - HB    VAL   70   7.54 +/- 0.70   2.221% *  0.1440% (0.13   1.0 10.00   0.02   0.02) =   0.006%
          HB    ILE   19 - QG    GLN   17   6.98 +/- 1.44   4.259% *  0.0497% (0.43   1.0  1.00   0.02   0.02) =   0.004%
        T HB2   GLN   17 - HB    VAL   70  11.53 +/- 3.71   1.011% *  0.1798% (0.16   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   GLU-  25 - QG    GLN   17  17.41 +/- 2.26   0.198% *  0.8303% (0.72   1.0 10.00   0.02   0.02) =   0.003%
          HG3   GLN   30 - QG    GLN   17  10.35 +/- 2.51   3.730% *  0.0361% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T QB    GLU-  15 - HB    VAL   70  12.87 +/- 3.63   0.659% *  0.1798% (0.16   1.0 10.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - HB    VAL   70   6.68 +/- 1.14   4.403% *  0.0088% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QG    GLN   17  12.93 +/- 4.68   0.818% *  0.0427% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - QG    GLN   17  10.59 +/- 2.20   1.674% *  0.0154% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HB    VAL   70  20.61 +/- 1.93   0.111% *  0.1701% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG    GLN   17  20.11 +/- 3.84   0.179% *  0.0568% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - HB    VAL   70  18.01 +/- 5.24   0.225% *  0.0400% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB    VAL   70  11.09 +/- 2.57   0.845% *  0.0102% (0.09   1.0  1.00   0.02   0.13) =   0.000%
          HB2   LYS+ 111 - QG    GLN   17  24.43 +/- 3.66   0.077% *  0.0870% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB    VAL   70  16.74 +/- 3.03   0.455% *  0.0116% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG    GLN   17  18.93 +/- 4.11   0.316% *  0.0154% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB    VAL   70  13.11 +/- 2.10   0.499% *  0.0074% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB    VAL   70  20.44 +/- 2.92   0.173% *  0.0178% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB    VAL   70  12.32 +/- 1.63   0.535% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB    VAL   70  15.14 +/- 3.04   0.412% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 68 (2.21, 2.21, 33.80 ppm):
    2 diagonal assignments:
    *     QG    GLN   17 - QG    GLN   17  (0.58)  kept
          HB    VAL   70 - HB    VAL   70  (0.13)  kept
 
    Peak 69 (4.00, 4.00, 62.64 ppm):
    1 diagonal assignment:
    *     HA    VAL   18 - HA    VAL   18  (1.00)  kept
 
    Peak 70 (1.96, 4.00, 62.64 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.55, residual support = 76.0:
    * O T HB    VAL   18 - HA    VAL   18   2.62 +/- 0.30  91.236% * 99.6862% (1.00  10.0 10.00   3.55  75.99) =  99.993%  kept
          HB2   LEU   67 - HA    VAL   18   9.09 +/- 3.73   5.250% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.005%
          HB2   LEU   40 - HA    VAL   18  11.45 +/- 3.84   2.619% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HA    VAL   18  21.68 +/- 4.98   0.322% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    VAL   18  19.64 +/- 3.54   0.282% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    VAL   18  19.09 +/- 3.43   0.290% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 71 (0.86, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 4.11, residual support = 75.9:
    * O T QG1   VAL   18 - HA    VAL   18   2.41 +/- 0.37  82.630% * 98.4792% (1.00  10.0 10.00   4.12  75.99) =  99.885%  kept
        T QG1   VAL   70 - HA    VAL   18   8.16 +/- 2.99   6.942% *  0.9653% (0.98   1.0 10.00   0.02   0.02) =   0.082%
          QD1   LEU   71 - HA    VAL   18   7.80 +/- 3.70   7.182% *  0.3382% (0.84   1.0  1.00   0.08   0.02) =   0.030%
          HB3   LEU   63 - HA    VAL   18  10.88 +/- 3.20   1.785% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HA    VAL   18  15.95 +/- 3.94   0.738% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    VAL   18  17.58 +/- 4.37   0.487% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    VAL   18  19.72 +/- 3.39   0.235% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.02 A, kept.
 
    Peak 72 (0.75, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 0.985, support = 4.12, residual support = 73.2:
    * O T QG2   VAL   18 - HA    VAL   18   2.90 +/- 0.30  64.168% * 85.4457% (1.00  10.0 10.00   4.12  75.99) =  94.799%  kept
          QD1   ILE   19 - HA    VAL   18   4.90 +/- 0.89  22.294% * 13.2359% (0.73   1.0  1.00   4.27  22.77) =   5.102%  kept
        T QG1   VAL   41 - HA    VAL   18   8.57 +/- 2.93   7.548% *  0.6530% (0.76   1.0 10.00   0.02   0.02) =   0.085%
        T QD2   LEU  104 - HA    VAL   18  14.16 +/- 3.28   1.079% *  0.4838% (0.57   1.0 10.00   0.02   0.02) =   0.009%
          QG1   VAL   43 - HA    VAL   18  10.91 +/- 2.78   2.079% *  0.0789% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   46 - HA    VAL   18  12.81 +/- 3.27   1.259% *  0.0838% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - HA    VAL   18  11.65 +/- 2.30   1.575% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.08 A violated in 0 structures by 0.02 A, kept.
 
    Peak 73 (4.00, 1.96, 32.56 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.55, residual support = 76.0:
    * O T HA    VAL   18 - HB    VAL   18   2.62 +/- 0.30  90.538% * 99.3791% (1.00  10.0 10.00   3.55  75.99) =  99.992%  kept
          HA    VAL   70 - HB    VAL   18   9.67 +/- 3.82   4.328% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HA    LYS+  33 - HB    VAL   18  14.47 +/- 3.33   1.745% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  29 - HB    VAL   18  15.61 +/- 2.32   0.692% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HB    VAL   18  18.58 +/- 4.75   0.665% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - HB    VAL   18  16.06 +/- 3.04   0.829% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB    VAL   18  18.41 +/- 4.92   0.477% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    VAL   18  20.70 +/- 3.32   0.244% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB    VAL   18  21.72 +/- 4.36   0.257% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB    VAL   18  21.02 +/- 4.14   0.225% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 74 (1.96, 1.96, 32.56 ppm):
    1 diagonal assignment:
    *     HB    VAL   18 - HB    VAL   18  (1.00)  kept
 
    Peak 75 (0.86, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.43, residual support = 76.0:
    * O T QG1   VAL   18 - HB    VAL   18   2.12 +/- 0.02  89.975% * 99.5994% (1.00  10.0 10.00   3.43  75.99) =  99.991%  kept
          QG1   VAL   70 - HB    VAL   18   8.27 +/- 3.20   4.160% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.005%
          QD1   LEU   71 - HB    VAL   18   8.87 +/- 3.13   2.701% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   63 - HB    VAL   18  10.19 +/- 3.76   1.912% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB    VAL   18  15.32 +/- 4.28   0.597% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB    VAL   18  17.92 +/- 5.03   0.426% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB    VAL   18  19.12 +/- 3.94   0.229% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 76 (0.75, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.24, residual support = 75.7:
    * O T QG2   VAL   18 - HB    VAL   18   2.12 +/- 0.01  88.427% * 86.8483% (1.00  10.0 10.00   3.24  75.99) =  99.401%  kept
          QD1   ILE   19 - HB    VAL   18   6.55 +/- 0.76   3.630% * 11.8117% (0.73   1.0  1.00   3.75  22.77) =   0.555%  kept
        T QG1   VAL   41 - HB    VAL   18   9.51 +/- 2.66   3.975% *  0.6637% (0.76   1.0 10.00   0.02   0.02) =   0.034%
        T QD2   LEU  104 - HB    VAL   18  14.61 +/- 3.93   1.125% *  0.4917% (0.57   1.0 10.00   0.02   0.02) =   0.007%
          QG1   VAL   43 - HB    VAL   18  10.89 +/- 3.24   1.332% *  0.0802% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HB    VAL   18  11.93 +/- 3.60   0.985% *  0.0851% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB    VAL   18  13.06 +/- 2.34   0.526% *  0.0193% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 77 (4.00, 0.86, 22.91 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 4.11, residual support = 75.9:
    * O T HA    VAL   18 - QG1   VAL   18   2.41 +/- 0.37  76.561% * 97.2871% (1.00  10.0 10.00   4.12  75.99) =  99.831%  kept
        T HA    VAL   70 - QG1   VAL   18   8.04 +/- 3.20  16.967% *  0.6683% (0.69   1.0 10.00   0.02   0.02) =   0.152%  kept
        T HA    SER   48 - QG1   VAL   18  14.94 +/- 4.13   0.699% *  0.7064% (0.73   1.0 10.00   0.02   0.02) =   0.007%
        T HB2   SER   82 - QG1   VAL   18  16.77 +/- 2.77   0.393% *  0.9643% (0.99   1.0 10.00   0.02   0.02) =   0.005%
          HA    LYS+  33 - QG1   VAL   18  11.93 +/- 2.61   1.884% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN  116 - QG1   VAL   18  15.62 +/- 3.86   1.193% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - QG1   VAL   18  12.54 +/- 2.09   0.794% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - QG1   VAL   18  13.03 +/- 2.56   0.860% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - QG1   VAL   18  17.80 +/- 3.42   0.293% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   18  17.24 +/- 3.68   0.355% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 78 (1.96, 0.86, 22.91 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.43, residual support = 76.0:
    * O T HB    VAL   18 - QG1   VAL   18   2.12 +/- 0.02  91.317% * 99.6862% (1.00  10.0 10.00   3.43  75.99) =  99.993%  kept
          HB2   LEU   67 - QG1   VAL   18   7.43 +/- 2.92   5.677% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.006%
          HB2   LEU   40 - QG1   VAL   18  10.26 +/- 2.85   1.739% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - QG1   VAL   18  16.71 +/- 4.32   0.418% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   18  15.47 +/- 3.53   0.438% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   18  14.79 +/- 3.44   0.411% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 79 (0.86, 0.86, 22.91 ppm):
    1 diagonal assignment:
    *     QG1   VAL   18 - QG1   VAL   18  (1.00)  kept
 
    Peak 80 (0.75, 0.86, 22.91 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 4.0, residual support = 75.4:
    * O T QG2   VAL   18 - QG1   VAL   18   2.05 +/- 0.06  85.065% * 85.4173% (1.00  10.0 10.00   4.00  75.99) =  98.819%  kept
          QD1   ILE   19 - QG1   VAL   18   5.37 +/- 0.76   6.351% * 13.2647% (0.73   1.0  1.00   4.28  22.77) =   1.146%  kept
        T QG1   VAL   41 - QG1   VAL   18   7.87 +/- 2.18   2.877% *  0.6528% (0.76   1.0 10.00   0.02   0.02) =   0.026%
        T QD2   LEU  104 - QG1   VAL   18  12.27 +/- 2.77   0.785% *  0.4836% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          QG1   VAL   43 - QG1   VAL   18   8.80 +/- 2.92   2.028% *  0.0789% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - QG1   VAL   18   9.63 +/- 3.13   1.752% *  0.0837% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - QG1   VAL   18  10.34 +/- 2.28   1.142% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (4.00, 0.75, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.998, support = 4.1, residual support = 75.7:
    * O T HA    VAL   18 - QG2   VAL   18   2.90 +/- 0.30  53.738% * 94.6464% (1.00  10.0 10.00   4.12  75.99) =  99.663%  kept
          HA    LYS+  33 - QG1   VAL   41   8.14 +/- 1.52   3.168% *  3.4191% (0.72   1.0  1.00   1.00   0.02) =   0.212%  kept
        T HA    VAL   18 - QG1   VAL   41   8.57 +/- 2.93   6.194% *  0.7233% (0.76   1.0 10.00   0.02   0.02) =   0.088%
          HA    VAL   70 - QG1   VAL   41   6.50 +/- 1.81   9.674% *  0.0497% (0.52   1.0  1.00   0.02   2.62) =   0.009%
          HA    VAL   70 - QG2   VAL   18   8.43 +/- 2.87   3.813% *  0.0650% (0.69   1.0  1.00   0.02   0.02) =   0.005%
          HA    GLN  116 - QG2   VAL   18  15.06 +/- 3.72   2.303% *  0.0650% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLU-  29 - QG1   VAL   41   9.87 +/- 2.48   2.071% *  0.0722% (0.76   1.0  1.00   0.02   0.02) =   0.003%
        T HA    VAL   18 - QD2   LEU  104  14.16 +/- 3.28   0.904% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.003%
          HA    GLN   32 - QG1   VAL   41   8.04 +/- 2.16   4.044% *  0.0324% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          HA    LYS+  33 - QG2   VAL   18  12.65 +/- 3.01   1.325% *  0.0895% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  29 - QG2   VAL   18  13.18 +/- 2.55   1.192% *  0.0944% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   48 - QG2   VAL   18  14.82 +/- 4.02   0.883% *  0.0687% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - QG1   VAL   41  17.16 +/- 3.00   0.969% *  0.0525% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QG1   VAL   41  16.69 +/- 4.48   0.647% *  0.0717% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - QG2   VAL   18  13.86 +/- 2.84   0.792% *  0.0424% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QG2   VAL   18  17.34 +/- 1.68   0.304% *  0.0938% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - QD2   LEU  104  12.20 +/- 4.39   1.886% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   41  16.29 +/- 2.83   0.535% *  0.0352% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   41  16.77 +/- 2.12   0.370% *  0.0497% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   VAL   18  18.28 +/- 3.01   0.356% *  0.0461% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   VAL   18  16.96 +/- 3.14   0.399% *  0.0263% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD2   LEU  104  15.36 +/- 3.63   0.657% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD2   LEU  104  14.76 +/- 3.49   0.539% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD2   LEU  104  13.48 +/- 3.97   1.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD2   LEU  104  20.36 +/- 3.51   0.521% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   41  19.40 +/- 2.26   0.262% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD2   LEU  104  15.64 +/- 2.95   0.455% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD2   LEU  104  19.69 +/- 3.99   0.277% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD2   LEU  104  16.43 +/- 2.74   0.536% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD2   LEU  104  21.23 +/- 2.72   0.184% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 82 (1.96, 0.75, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.996, support = 3.25, residual support = 75.7:
    * O T HB    VAL   18 - QG2   VAL   18   2.12 +/- 0.01  70.031% * 92.8719% (1.00  10.0 10.00   3.24  75.99) =  99.474%  kept
          HB2   LEU   40 - QG1   VAL   41   5.03 +/- 0.27   5.404% *  5.7392% (0.26   1.0  1.00   4.74  20.92) =   0.474%  kept
        T HB    VAL   18 - QG1   VAL   41   9.51 +/- 2.66   3.170% *  0.7098% (0.76   1.0 10.00   0.02   0.02) =   0.034%
          HB2   LEU   67 - QG2   VAL   18   7.22 +/- 3.04   7.693% *  0.0833% (0.90   1.0  1.00   0.02   0.02) =   0.010%
          HB2   LEU   40 - QG2   VAL   18  10.85 +/- 3.17   4.121% *  0.0317% (0.34   1.0  1.00   0.02   0.02) =   0.002%
        T HB    VAL   18 - QD2   LEU  104  14.61 +/- 3.93   0.898% *  0.1427% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   67 - QG1   VAL   41   9.36 +/- 1.73   1.215% *  0.0637% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - QG2   VAL   18  16.34 +/- 3.72   0.281% *  0.0833% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QD2   LEU  104  10.19 +/- 5.57   4.751% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG2   VAL   18  15.08 +/- 3.22   0.353% *  0.0489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG2   VAL   18  14.11 +/- 3.15   0.355% *  0.0452% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   41  19.49 +/- 3.74   0.158% *  0.0637% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD2   LEU  104  13.90 +/- 3.80   0.738% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   41  16.21 +/- 1.84   0.184% *  0.0373% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   41  17.85 +/- 1.93   0.141% *  0.0345% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU  104  15.09 +/- 2.22   0.234% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU  104  18.84 +/- 3.67   0.180% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  104  21.43 +/- 3.67   0.093% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 83 (0.86, 0.75, 22.78 ppm):
    21 chemical-shift based assignments, quality = 0.96, support = 4.05, residual support = 81.7:
    * O T QG1   VAL   18 - QG2   VAL   18   2.05 +/- 0.06  46.877% * 90.5981% (1.00  10.0 10.00   4.00  75.99) =  95.653%  kept
      O T HB3   LEU  104 - QD2   LEU  104   2.61 +/- 0.43  27.398% *  6.7763% (0.07  10.0 10.00   5.35 215.53) =   4.181%  kept
          QD1   LEU   71 - QG1   VAL   41   6.32 +/- 2.07  10.951% *  0.4595% (0.64   1.0  1.00   0.16   0.79) =   0.113%  kept
        T QG1   VAL   18 - QG1   VAL   41   7.87 +/- 2.18   1.711% *  0.6924% (0.76   1.0 10.00   0.02   0.02) =   0.027%
          QG1   VAL   70 - QG2   VAL   18   7.07 +/- 2.36   2.573% *  0.0888% (0.98   1.0  1.00   0.02   0.02) =   0.005%
        T HB3   LEU  104 - QG1   VAL   41  10.99 +/- 4.75   0.612% *  0.3370% (0.37   1.0 10.00   0.02   0.02) =   0.005%
        T HB3   LEU  104 - QG2   VAL   18  15.35 +/- 4.03   0.368% *  0.4410% (0.49   1.0 10.00   0.02   0.02) =   0.004%
          QG1   VAL   70 - QG1   VAL   41   6.63 +/- 1.35   2.154% *  0.0679% (0.75   1.0  1.00   0.02   2.62) =   0.003%
          QD1   LEU   71 - QG2   VAL   18   7.70 +/- 2.21   1.337% *  0.0757% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - QG2   VAL   18   8.27 +/- 2.58   1.276% *  0.0622% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - QG2   VAL   18  12.42 +/- 3.43   0.883% *  0.0757% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T QG1   VAL   18 - QD2   LEU  104  12.27 +/- 2.77   0.474% *  0.1392% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QG1   VAL   41  10.54 +/- 1.69   0.450% *  0.0476% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD2   LEU  104  10.19 +/- 3.67   1.080% *  0.0136% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  14.33 +/- 2.72   0.189% *  0.0578% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104  11.83 +/- 3.16   0.389% *  0.0116% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  13.71 +/- 4.26   0.316% *  0.0116% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG2   VAL   18  15.96 +/- 2.90   0.201% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  13.08 +/- 2.81   0.365% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG1   VAL   41  14.49 +/- 1.57   0.144% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU  104  12.07 +/- 0.86   0.251% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 84 (0.75, 0.75, 22.78 ppm):
    3 diagonal assignments:
    *     QG2   VAL   18 - QG2   VAL   18  (1.00)  kept
          QG1   VAL   41 - QG1   VAL   41  (0.58)  kept
          QD2   LEU  104 - QD2   LEU  104  (0.09)  kept
 
    Peak 85 (4.18, 4.18, 60.49 ppm):
    1 diagonal assignment:
    *     HA    ILE   19 - HA    ILE   19  (1.00)  kept
 
    Peak 86 (2.00, 4.18, 60.49 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 170.5:
    * O T HB    ILE   19 - HA    ILE   19   2.92 +/- 0.13  83.078% * 98.7896% (1.00  10.0 10.00   5.75 170.53) =  99.981%  kept
        T HB3   GLU-  25 - HA    ILE   19  14.11 +/- 1.44   0.834% *  0.7550% (0.76   1.0 10.00   0.02   0.02) =   0.008%
          HB2   GLN   17 - HA    ILE   19   6.11 +/- 0.56   9.778% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.007%
          QB    GLU-  15 - HA    ILE   19   8.66 +/- 0.89   3.607% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - HA    ILE   19  15.61 +/- 2.88   0.732% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HA    ILE   19  21.74 +/- 3.50   0.307% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ILE   19  15.49 +/- 3.50   0.924% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    ILE   19  20.07 +/- 3.04   0.321% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    ILE   19  21.37 +/- 3.21   0.280% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE   19  26.33 +/- 3.06   0.137% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 87 (1.42, 4.18, 60.49 ppm):
    12 chemical-shift based assignments, quality = 0.978, support = 6.13, residual support = 164.9:
    * O T HG12  ILE   19 - HA    ILE   19   3.29 +/- 0.69  61.723% * 84.1599% (1.00  10.0 10.00   6.31 170.53) =  96.616%  kept
        T HG    LEU   73 - HA    ILE   19   7.67 +/- 3.31  12.401% * 14.0994% (0.34   1.0 10.00   0.98   5.31) =   3.252%  kept
          HB3   LYS+  74 - HA    ILE   19   7.47 +/- 2.07  11.061% *  0.4917% (0.57   1.0  1.00   0.21   8.22) =   0.101%  kept
        T HG    LEU   80 - HA    ILE   19  15.86 +/- 4.12   0.983% *  0.8249% (0.98   1.0 10.00   0.02   0.02) =   0.015%
          QB    ALA   61 - HA    ILE   19  11.13 +/- 3.07   5.808% *  0.0730% (0.87   1.0  1.00   0.02   0.02) =   0.008%
          HB3   LEU   67 - HA    ILE   19  11.27 +/- 2.95   2.822% *  0.0611% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          QG    LYS+  66 - HA    ILE   19  13.35 +/- 1.27   1.336% *  0.0443% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HA    ILE   19  15.87 +/- 3.05   0.882% *  0.0643% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HA    ILE   19  19.78 +/- 4.98   0.872% *  0.0510% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    ILE   19  14.56 +/- 2.88   1.286% *  0.0260% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - HA    ILE   19  20.83 +/- 2.41   0.385% *  0.0834% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HA    ILE   19  21.69 +/- 3.97   0.440% *  0.0210% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.11 A, kept.
 
    Peak 88 (1.25, 4.18, 60.49 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 5.75, residual support = 170.4:
    * O T HG13  ILE   19 - HA    ILE   19   2.83 +/- 0.43  74.092% * 98.2804% (1.00  10.0 10.00   5.75 170.53) =  99.919%  kept
        T HG    LEU   71 - HA    ILE   19   9.37 +/- 3.56   4.977% *  0.8814% (0.90   1.0 10.00   0.02   0.72) =   0.060%
          QG2   THR   39 - HA    ILE   19   9.91 +/- 3.73   5.658% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.006%
          HG2   LYS+  74 - HA    ILE   19   9.19 +/- 2.52   4.585% *  0.0907% (0.92   1.0  1.00   0.02   8.22) =   0.006%
          HG3   LYS+  99 - HA    ILE   19  17.68 +/- 4.88   2.123% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.003%
        T QG2   ILE   56 - HA    ILE   19  17.43 +/- 2.39   0.505% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   34 - HA    ILE   19   8.86 +/- 1.90   6.687% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  38 - HA    ILE   19  16.60 +/- 3.08   0.662% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HA    ILE   19  19.53 +/- 2.13   0.293% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    ILE   19  19.14 +/- 2.72   0.306% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    ILE   19  26.98 +/- 3.02   0.112% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 89 (0.74, 4.18, 60.49 ppm):
    7 chemical-shift based assignments, quality = 0.974, support = 4.9, residual support = 156.5:
    *   T QD1   ILE   19 - HA    ILE   19   3.38 +/- 0.45  51.098% * 84.7600% (1.00 10.00   4.90 170.53) =  90.528%  kept
          QG2   VAL   18 - HA    ILE   19   4.32 +/- 0.71  30.157% * 15.0032% (0.73  1.00   4.88  22.77) =   9.457%  kept
          QG1   VAL   41 - HA    ILE   19   9.45 +/- 3.21  11.872% *  0.0262% (0.31  1.00   0.02   0.02) =   0.006%
          QD2   LEU  104 - HA    ILE   19  15.34 +/- 3.53   2.910% *  0.0818% (0.97  1.00   0.02   0.02) =   0.005%
          QG2   THR   46 - HA    ILE   19  13.50 +/- 2.74   1.214% *  0.0708% (0.84  1.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - HA    ILE   19  11.58 +/- 1.91   1.702% *  0.0413% (0.49  1.00   0.02   0.02) =   0.001%
          QD1   LEU   98 - HA    ILE   19  14.39 +/- 2.80   1.048% *  0.0168% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.31 A, kept.
 
    Peak 90 (4.18, 2.00, 37.78 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 170.5:
    * O T HA    ILE   19 - HB    ILE   19   2.92 +/- 0.13  94.371% * 98.6066% (1.00  10.0 10.00   5.75 170.53) =  99.985%  kept
        T HA    GLU-  25 - HB    ILE   19  12.62 +/- 0.98   1.252% *  0.9103% (0.92   1.0 10.00   0.02   0.02) =   0.012%
        T HA    SER   82 - HB    ILE   19  20.73 +/- 3.54   0.356% *  0.3701% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR   26 - HB    ILE   19   9.15 +/- 1.27   3.725% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HB    ILE   19  21.49 +/- 2.96   0.295% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 91 (2.00, 2.00, 37.78 ppm):
    1 diagonal assignment:
    *     HB    ILE   19 - HB    ILE   19  (1.00)  kept
 
    Peak 92 (1.42, 2.00, 37.78 ppm):
    12 chemical-shift based assignments, quality = 0.934, support = 4.97, residual support = 153.7:
    * O T HG12  ILE   19 - HB    ILE   19   2.49 +/- 0.24  66.904% * 71.0646% (1.00  10.0 10.00   5.30 170.53) =  89.794%  kept
        T HG    LEU   73 - HB    ILE   19   6.14 +/- 3.88  21.356% * 24.2407% (0.34   1.0 10.00   2.14   5.31) =   9.777%  kept
          HB3   LYS+  74 - HB    ILE   19   7.90 +/- 2.29   6.820% *  3.1755% (0.57   1.0  1.00   1.58   8.22) =   0.409%  kept
        T HB3   LEU   67 - HB    ILE   19  11.55 +/- 2.69   0.947% *  0.5160% (0.73   1.0 10.00   0.02   0.02) =   0.009%
        T HG    LEU   80 - HB    ILE   19  15.46 +/- 4.80   0.600% *  0.6966% (0.98   1.0 10.00   0.02   0.02) =   0.008%
          QB    ALA   61 - HB    ILE   19  11.71 +/- 2.82   1.445% *  0.0616% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   80 - HB    ILE   19  15.46 +/- 3.69   0.457% *  0.0543% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HB    ILE   19  14.10 +/- 1.05   0.403% *  0.0374% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB    ILE   19  13.48 +/- 2.39   0.542% *  0.0219% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB    ILE   19  19.87 +/- 4.54   0.227% *  0.0431% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    ILE   19  20.79 +/- 2.32   0.129% *  0.0704% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB    ILE   19  20.29 +/- 3.56   0.170% *  0.0177% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 93 (1.25, 2.00, 37.78 ppm):
    11 chemical-shift based assignments, quality = 0.996, support = 4.78, residual support = 162.6:
    * O T HG13  ILE   19 - HB    ILE   19   2.79 +/- 0.29  60.504% * 78.7799% (1.00  10.0 10.00   5.00 170.53) =  95.132%  kept
        T HG2   LYS+  74 - HB    ILE   19   9.51 +/- 2.91  12.007% * 20.0402% (0.92   1.0 10.00   0.55   8.22) =   4.803%  kept
        T HG    LEU   71 - HB    ILE   19   9.08 +/- 3.58   3.420% *  0.7065% (0.90   1.0 10.00   0.02   0.72) =   0.048%
          QG2   THR   39 - HB    ILE   19   8.95 +/- 3.69   6.529% *  0.0658% (0.84   1.0  1.00   0.02   0.02) =   0.009%
          QB    ALA   34 - HB    ILE   19   7.14 +/- 1.88  14.842% *  0.0175% (0.22   1.0  1.00   0.02   0.02) =   0.005%
          HG3   LYS+  99 - HB    ILE   19  16.46 +/- 4.09   1.237% *  0.0745% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  38 - HB    ILE   19  14.80 +/- 2.87   0.537% *  0.0446% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB    ILE   19  19.28 +/- 2.39   0.229% *  0.0658% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB    ILE   19  26.90 +/- 2.79   0.078% *  0.1559% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    ILE   19  17.78 +/- 2.38   0.327% *  0.0296% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    ILE   19  18.50 +/- 2.63   0.289% *  0.0196% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 94 (0.74, 2.00, 37.78 ppm):
    7 chemical-shift based assignments, quality = 0.992, support = 4.18, residual support = 166.5:
    * O T QD1   ILE   19 - HB    ILE   19   2.63 +/- 0.37  72.503% * 84.7861% (1.00  10.0 10.00   4.16 170.53) =  97.248%  kept
          QG2   VAL   18 - HB    ILE   19   5.55 +/- 0.70  11.580% * 14.9770% (0.73   1.0  1.00   4.87  22.77) =   2.744%  kept
          QG1   VAL   41 - HB    ILE   19   8.09 +/- 3.05  11.069% *  0.0262% (0.31   1.0  1.00   0.02   0.02) =   0.005%
          QD2   LEU  104 - HB    ILE   19  14.42 +/- 2.67   1.403% *  0.0818% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - HB    ILE   19  10.72 +/- 2.33   1.916% *  0.0413% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HB    ILE   19  13.59 +/- 2.69   0.702% *  0.0708% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   98 - HB    ILE   19  13.39 +/- 2.45   0.827% *  0.0168% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.07 A, kept.
 
    Peak 95 (4.18, 1.42, 27.25 ppm):
    15 chemical-shift based assignments, quality = 0.979, support = 6.15, residual support = 165.3:
    * O T HA    ILE   19 - HG12  ILE   19   3.29 +/- 0.69  59.189% * 85.5619% (1.00  10.0 10.00   6.31 170.53) =  96.836%  kept
        T HA    ILE   19 - HG    LEU   73   7.67 +/- 3.31  11.994% * 13.7239% (0.33   1.0 10.00   0.98   5.31) =   3.147%  kept
        T HA    ILE   19 - HG    LEU   80  15.86 +/- 4.12   0.943% *  0.3509% (0.41   1.0 10.00   0.02   0.02) =   0.006%
          HA    SER   82 - HG    LEU   80   7.43 +/- 1.04   9.171% *  0.0132% (0.15   1.0  1.00   0.02   0.35) =   0.002%
          HA    GLU-  25 - HG    LEU   80  14.99 +/- 6.89   3.126% *  0.0324% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  25 - HG12  ILE   19  14.15 +/- 1.01   1.001% *  0.0790% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  25 - HG    LEU   73  11.56 +/- 2.66   2.314% *  0.0258% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - HG12  ILE   19  10.52 +/- 1.38   2.603% *  0.0213% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - HG    LEU   73   9.93 +/- 3.09   4.848% *  0.0070% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HG12  ILE   19  22.12 +/- 2.54   0.298% *  0.0767% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   73  17.52 +/- 4.04   0.861% *  0.0251% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   80  19.80 +/- 4.69   0.645% *  0.0315% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   80  15.61 +/- 6.08   1.918% *  0.0088% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG12  ILE   19  21.71 +/- 3.99   0.458% *  0.0321% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   73  17.86 +/- 3.10   0.630% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.03 A, kept.
 
    Peak 96 (2.00, 1.42, 27.25 ppm):
    30 chemical-shift based assignments, quality = 0.936, support = 5.0, residual support = 154.9:
    * O T HB    ILE   19 - HG12  ILE   19   2.49 +/- 0.24  59.492% * 74.6257% (1.00  10.0 10.00   5.30 170.53) =  90.526%  kept
        T HB    ILE   19 - HG    LEU   73   6.14 +/- 3.88  19.029% * 24.3716% (0.33   1.0 10.00   2.14   5.31) =   9.456%  kept
          QB    GLU-  15 - HG12  ILE   19   7.37 +/- 1.51   6.054% *  0.0422% (0.57   1.0  1.00   0.02   0.02) =   0.005%
          HB2   GLN   17 - HG12  ILE   19   6.63 +/- 1.20   5.492% *  0.0422% (0.57   1.0  1.00   0.02   0.02) =   0.005%
        T HB    ILE   19 - HG    LEU   80  15.46 +/- 4.80   0.532% *  0.3061% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          HG2   PRO   68 - HG12  ILE   19  15.17 +/- 3.09   0.368% *  0.0740% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HG    LEU   80  15.22 +/- 6.58   1.013% *  0.0234% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   80  19.56 +/- 5.82   1.340% *  0.0173% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE   19  14.62 +/- 1.26   0.333% *  0.0570% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   73  12.56 +/- 2.68   0.656% *  0.0186% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   73  12.16 +/- 3.39   0.808% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   73  13.02 +/- 4.00   0.736% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   73  18.11 +/- 4.10   0.338% *  0.0242% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE   19  15.16 +/- 3.60   0.481% *  0.0166% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   73  17.58 +/- 4.47   0.850% *  0.0091% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG12  ILE   19  22.04 +/- 3.06   0.099% *  0.0740% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   80  21.46 +/- 4.02   0.223% *  0.0303% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   73  16.04 +/- 1.30   0.257% *  0.0242% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   80  19.30 +/- 4.72   0.244% *  0.0173% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG12  ILE   19  21.30 +/- 2.34   0.109% *  0.0307% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   73  17.75 +/- 3.41   0.331% *  0.0100% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   80  23.21 +/- 3.55   0.103% *  0.0303% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG12  ILE   19  22.00 +/- 2.41   0.102% *  0.0280% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   73  21.86 +/- 4.48   0.202% *  0.0119% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   80  22.52 +/- 5.13   0.162% *  0.0126% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE   19  26.79 +/- 2.64   0.052% *  0.0363% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   80  21.80 +/- 3.52   0.133% *  0.0115% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   80  24.53 +/- 4.19   0.096% *  0.0149% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   73  16.33 +/- 1.06   0.249% *  0.0054% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   80  23.72 +/- 3.99   0.114% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 97 (1.42, 1.42, 27.25 ppm):
    3 diagonal assignments:
    *     HG12  ILE   19 - HG12  ILE   19  (1.00)  kept
          HG    LEU   80 - HG    LEU   80  (0.40)  kept
          HG    LEU   73 - HG    LEU   73  (0.11)  kept
 
    Peak 98 (1.25, 1.42, 27.25 ppm):
    33 chemical-shift based assignments, quality = 0.996, support = 5.24, residual support = 168.5:
    * O T HG13  ILE   19 - HG12  ILE   19   1.75 +/- 0.00  70.095% * 72.5168% (1.00  10.0 10.00   5.30 170.53) =  98.806%  kept
        T HG    LEU   71 - HG12  ILE   19   8.12 +/- 4.36   2.266% * 14.6065% (0.90   1.0 10.00   0.45   0.72) =   0.643%  kept
        T HG13  ILE   19 - HG    LEU   73   8.05 +/- 3.49   2.407% * 11.4514% (0.33   1.0 10.00   0.97   5.31) =   0.536%  kept
          QB    ALA   34 - HG12  ILE   19   7.15 +/- 2.45  12.156% *  0.0161% (0.22   1.0  1.00   0.02   0.02) =   0.004%
          QG2   THR   39 - HG12  ILE   19   8.26 +/- 4.28   2.752% *  0.0606% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T HG    LEU   71 - HG    LEU   73   9.76 +/- 1.74   0.596% *  0.2124% (0.29   1.0 10.00   0.02   1.76) =   0.002%
          HG2   LYS+  74 - HG12  ILE   19  10.72 +/- 2.87   1.035% *  0.0669% (0.92   1.0  1.00   0.02   8.22) =   0.001%
        T HG    LEU   71 - HG    LEU   80  19.72 +/- 5.68   0.181% *  0.2668% (0.37   1.0 10.00   0.02   0.02) =   0.001%
        T HG13  ILE   19 - HG    LEU   80  16.88 +/- 4.73   0.141% *  0.2974% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HG    LEU   80  13.22 +/- 2.75   0.738% *  0.0248% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   73   8.18 +/- 0.75   0.775% *  0.0219% (0.30   1.0  1.00   0.02  42.48) =   0.000%
          HG3   LYS+  99 - HG12  ILE   19  16.35 +/- 4.51   0.223% *  0.0686% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   73   9.94 +/- 2.31   0.684% *  0.0198% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   80  12.23 +/- 3.36   0.456% *  0.0275% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   73  14.53 +/- 4.21   1.165% *  0.0089% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   73   7.35 +/- 2.16   1.761% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG12  ILE   19  14.27 +/- 3.42   0.213% *  0.0411% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   80  24.00 +/- 7.40   0.471% *  0.0168% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   80  17.12 +/- 5.00   0.253% *  0.0248% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG12  ILE   19  19.95 +/- 2.58   0.058% *  0.0606% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   73  15.87 +/- 3.89   0.154% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   73  15.48 +/- 2.24   0.145% *  0.0198% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG12  ILE   19  18.22 +/- 2.08   0.073% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   80  12.10 +/- 1.77   0.260% *  0.0074% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   73  15.46 +/- 2.31   0.139% *  0.0134% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   80  15.05 +/- 4.83   0.239% *  0.0066% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   80  22.23 +/- 5.01   0.055% *  0.0281% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   80  17.59 +/- 3.74   0.134% *  0.0112% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG12  ILE   19  19.34 +/- 3.06   0.078% *  0.0181% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   73  14.21 +/- 2.06   0.173% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   73  22.26 +/- 4.30   0.068% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG12  ILE   19  27.43 +/- 2.55   0.020% *  0.0144% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   80  24.71 +/- 4.65   0.035% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 99 (0.74, 1.42, 27.25 ppm):
    21 chemical-shift based assignments, quality = 0.983, support = 4.14, residual support = 165.6:
    * O T QD1   ILE   19 - HG12  ILE   19   2.15 +/- 0.01  56.361% * 76.8536% (1.00  10.0 10.00   4.21 170.53) =  96.941%  kept
        T QD1   ILE   19 - HG    LEU   73   6.68 +/- 2.84  10.202% *  9.2866% (0.33   1.0 10.00   0.74   5.31) =   2.120%  kept
          QG2   VAL   18 - HG12  ILE   19   5.83 +/- 0.58   3.187% * 12.9376% (0.73   1.0  1.00   4.64  22.77) =   0.923%  kept
          QG1   VAL   41 - HG12  ILE   19   8.01 +/- 3.54   7.373% *  0.0237% (0.31   1.0  1.00   0.02   0.02) =   0.004%
        T QD1   ILE   19 - HG    LEU   80  14.16 +/- 4.40   0.369% *  0.3152% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          QG1   VAL   43 - HG    LEU   73   7.19 +/- 2.70   6.627% *  0.0122% (0.16   1.0  1.00   0.02   2.38) =   0.002%
          QG2   VAL   18 - HG    LEU   73   7.44 +/- 2.30   3.339% *  0.0182% (0.24   1.0  1.00   0.02   0.75) =   0.001%
        T QD1   LEU   98 - HG12  ILE   19  13.72 +/- 2.71   0.310% *  0.1521% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HG    LEU   73   7.17 +/- 2.79   4.756% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HG12  ILE   19  14.45 +/- 2.74   0.365% *  0.0742% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HG    LEU   80  10.61 +/- 3.77   1.748% *  0.0153% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HG    LEU   73  10.18 +/- 2.34   1.055% *  0.0210% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG12  ILE   19  11.39 +/- 2.18   0.521% *  0.0374% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   80  11.65 +/- 3.31   0.733% *  0.0263% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG    LEU   80  14.12 +/- 3.35   0.305% *  0.0624% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG12  ILE   19  14.35 +/- 2.49   0.241% *  0.0642% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   73  12.87 +/- 3.04   0.559% *  0.0242% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   80  13.47 +/- 2.47   0.323% *  0.0229% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   80  14.17 +/- 4.63   0.619% *  0.0097% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   73  11.24 +/- 3.47   0.874% *  0.0050% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   80  17.97 +/- 3.84   0.135% *  0.0304% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 100 (4.18, 1.25, 27.25 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 170.5:
    * O T HA    ILE   19 - HG13  ILE   19   2.83 +/- 0.43  85.952% * 98.6722% (1.00  10.0 10.00   5.75 170.53) =  99.985%  kept
        T HA    ILE   19 - HG    LEU   71   9.37 +/- 3.56   5.772% *  0.1414% (0.14   1.0 10.00   0.02   0.72) =   0.010%
        T HA    CYS   53 - HG13  ILE   19  22.10 +/- 2.82   0.252% *  0.8849% (0.90   1.0 10.00   0.02   0.02) =   0.003%
          HA    GLU-  25 - HG13  ILE   19  14.61 +/- 0.97   0.812% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T HA    CYS   53 - HG    LEU   71  20.57 +/- 4.28   0.559% *  0.1268% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR   26 - HG13  ILE   19  10.91 +/- 1.36   2.300% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   82 - HG13  ILE   19  22.16 +/- 3.81   0.369% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   71  18.15 +/- 2.54   1.006% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   71  15.45 +/- 2.90   2.644% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   71  24.29 +/- 4.86   0.334% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 101 (2.00, 1.25, 27.25 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 170.5:
    * O T HB    ILE   19 - HG13  ILE   19   2.79 +/- 0.29  57.291% * 98.7569% (1.00  10.0 10.00   5.00 170.53) =  99.969%  kept
        T HB    ILE   19 - HG    LEU   71   9.08 +/- 3.58   3.450% *  0.1416% (0.14   1.0 10.00   0.02   0.72) =   0.009%
          QB    GLU-  15 - HG13  ILE   19   7.12 +/- 1.57   8.523% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.008%
          HB2   GLN   17 - HG13  ILE   19   5.93 +/- 0.94   8.490% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.008%
          QB    GLU-  15 - HG    LEU   71   9.48 +/- 5.86   9.848% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HG13  ILE   19  15.04 +/- 3.13   0.544% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG    LEU   71   9.64 +/- 4.78   4.948% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - HG13  ILE   19  26.82 +/- 3.01   0.078% *  0.4807% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HG13  ILE   19  14.97 +/- 1.24   0.419% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HG    LEU   71  10.40 +/- 1.69   1.601% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE   19  14.93 +/- 3.68   0.745% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG13  ILE   19  22.06 +/- 3.35   0.166% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG    LEU   71  24.76 +/- 4.41   0.165% *  0.0689% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   71  10.06 +/- 2.06   2.336% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG13  ILE   19  21.13 +/- 2.50   0.161% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG13  ILE   19  21.95 +/- 2.82   0.152% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   71  20.50 +/- 3.56   0.221% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   71  19.15 +/- 2.81   0.276% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   71  20.22 +/- 3.62   0.308% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   71  19.67 +/- 2.95   0.277% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 102 (1.42, 1.25, 27.25 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 170.5:
    * O T HG12  ILE   19 - HG13  ILE   19   1.75 +/- 0.00  85.871% * 97.7565% (1.00  10.0 10.00   5.30 170.53) =  99.978%  kept
        T HG    LEU   73 - HG13  ILE   19   8.05 +/- 3.49   2.918% *  0.3335% (0.34   1.0 10.00   0.02   5.31) =   0.012%
        T HG12  ILE   19 - HG    LEU   71   8.12 +/- 4.36   2.758% *  0.1401% (0.14   1.0 10.00   0.02   0.72) =   0.005%
        T HG    LEU   80 - HG13  ILE   19  16.88 +/- 4.73   0.170% *  0.9582% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HG13  ILE   19   9.16 +/- 2.20   0.928% *  0.0553% (0.57   1.0  1.00   0.02   8.22) =   0.001%
          QB    ALA   61 - HG13  ILE   19  12.03 +/- 3.00   0.506% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HG13  ILE   19  11.11 +/- 3.23   0.584% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   73 - HG    LEU   71   9.76 +/- 1.74   0.727% *  0.0478% (0.05   1.0 10.00   0.02   1.76) =   0.000%
        T HG    LEU   80 - HG    LEU   71  19.72 +/- 5.68   0.218% *  0.1374% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG    LEU   71  10.97 +/- 2.35   1.715% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG    LEU   71   7.97 +/- 1.45   1.231% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG13  ILE   19  13.65 +/- 1.77   0.217% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG13  ILE   19  16.91 +/- 3.64   0.144% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG13  ILE   19  19.82 +/- 4.94   0.141% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG13  ILE   19  14.14 +/- 2.83   0.249% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG13  ILE   19  21.32 +/- 2.66   0.061% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG    LEU   71  12.06 +/- 1.73   0.352% *  0.0079% (0.08   1.0  1.00   0.02   0.28) =   0.000%
          QG    LYS+  66 - HG    LEU   71  11.52 +/- 1.27   0.342% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG    LEU   71  19.36 +/- 4.69   0.171% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG13  ILE   19  20.85 +/- 3.83   0.072% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG    LEU   71  14.15 +/- 4.13   0.338% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG    LEU   71  20.14 +/- 3.29   0.083% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG    LEU   71  18.76 +/- 4.07   0.126% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG    LEU   71  21.05 +/- 5.47   0.076% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 103 (1.25, 1.25, 27.25 ppm):
    2 diagonal assignments:
    *     HG13  ILE   19 - HG13  ILE   19  (1.00)  kept
          HG    LEU   71 - HG    LEU   71  (0.13)  kept
 
    Peak 104 (0.74, 1.25, 27.25 ppm):
    14 chemical-shift based assignments, quality = 0.996, support = 4.16, residual support = 168.5:
    * O T QD1   ILE   19 - HG13  ILE   19   2.15 +/- 0.01  67.847% * 84.6152% (1.00  10.0 10.00   4.15 170.53) =  98.637%  kept
          QG2   VAL   18 - HG13  ILE   19   5.33 +/- 0.59   5.211% * 14.9845% (0.73   1.0  1.00   4.88  22.77) =   1.342%  kept
        T QD1   ILE   19 - HG    LEU   71   6.94 +/- 3.48   7.722% *  0.1213% (0.14   1.0 10.00   0.02   0.72) =   0.016%
          QG1   VAL   41 - HG13  ILE   19   8.54 +/- 3.41   4.513% *  0.0261% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU  104 - HG13  ILE   19  14.63 +/- 3.08   0.723% *  0.0817% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HG    LEU   71   7.22 +/- 2.13   8.316% *  0.0037% (0.04   1.0  1.00   0.02   0.79) =   0.001%
          QG1   VAL   43 - HG13  ILE   19  11.78 +/- 2.00   0.520% *  0.0412% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG13  ILE   19  14.47 +/- 2.30   0.275% *  0.0707% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   71   8.23 +/- 2.52   1.930% *  0.0088% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   71  14.10 +/- 2.65   1.203% *  0.0101% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG13  ILE   19  14.02 +/- 2.74   0.365% *  0.0167% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   71  13.99 +/- 3.73   0.381% *  0.0117% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   71  11.49 +/- 1.88   0.625% *  0.0059% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   71  14.40 +/- 4.01   0.370% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 105 (4.18, 0.74, 12.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.9, residual support = 170.5:
    *   T HA    ILE   19 - QD1   ILE   19   3.38 +/- 0.45  86.047% * 99.7561% (1.00 10.00   4.90 170.53) =  99.993%  kept
          HA    GLU-  25 - QD1   ILE   19  11.19 +/- 1.26   3.047% *  0.0921% (0.92  1.00   0.02   0.02) =   0.003%
          HA    THR   26 - QD1   ILE   19   7.98 +/- 1.34   9.477% *  0.0249% (0.25  1.00   0.02   0.02) =   0.003%
          HA    CYS   53 - QD1   ILE   19  19.21 +/- 2.17   0.588% *  0.0895% (0.90  1.00   0.02   0.02) =   0.001%
          HA    SER   82 - QD1   ILE   19  18.51 +/- 3.53   0.841% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.14 A, kept.
 
    Peak 106 (2.00, 0.74, 12.33 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.16, residual support = 170.5:
    * O T HB    ILE   19 - QD1   ILE   19   2.63 +/- 0.37  75.242% * 99.4654% (1.00  10.0 10.00   4.16 170.53) =  99.981%  kept
          QB    GLU-  15 - QD1   ILE   19   6.06 +/- 1.77  12.574% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.009%
          HB2   GLN   17 - QD1   ILE   19   6.30 +/- 1.05   8.168% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.006%
          HB3   GLU-  25 - QD1   ILE   19  11.54 +/- 1.39   1.333% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD1   ILE   19  13.29 +/- 2.08   0.742% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - QD1   ILE   19  19.01 +/- 2.65   0.356% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE   19  13.18 +/- 2.54   0.857% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   ILE   19  18.36 +/- 1.96   0.278% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   ILE   19  19.07 +/- 2.45   0.295% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE   19  23.07 +/- 2.44   0.155% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 107 (1.42, 0.74, 12.33 ppm):
    12 chemical-shift based assignments, quality = 0.985, support = 4.13, residual support = 166.9:
    * O T HG12  ILE   19 - QD1   ILE   19   2.15 +/- 0.01  76.291% * 87.3825% (1.00  10.0 10.00   4.21 170.53) =  97.779%  kept
        T HG    LEU   73 - QD1   ILE   19   6.68 +/- 2.84  13.630% * 11.0284% (0.34   1.0 10.00   0.74   5.31) =   2.205%  kept
        T HG    LEU   80 - QD1   ILE   19  14.16 +/- 4.40   0.495% *  0.8565% (0.98   1.0 10.00   0.02   0.02) =   0.006%
          HB3   LYS+  74 - QD1   ILE   19   8.20 +/- 1.99   5.423% *  0.0495% (0.57   1.0  1.00   0.02   8.22) =   0.004%
        T QB    LEU   98 - QD1   ILE   19  11.85 +/- 2.39   0.647% *  0.2697% (0.31   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   61 - QD1   ILE   19  10.67 +/- 2.15   0.905% *  0.0758% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - QD1   ILE   19  10.16 +/- 2.12   0.999% *  0.0635% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - QD1   ILE   19  14.26 +/- 3.43   0.393% *  0.0668% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   ILE   19  17.01 +/- 4.30   0.416% *  0.0530% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD1   ILE   19  12.24 +/- 1.19   0.460% *  0.0460% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   ILE   19  18.29 +/- 2.09   0.143% *  0.0866% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   19  17.34 +/- 3.38   0.198% *  0.0218% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 108 (1.25, 0.74, 12.33 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 4.15, residual support = 170.3:
    * O T HG13  ILE   19 - QD1   ILE   19   2.15 +/- 0.01  54.006% * 98.6077% (1.00  10.0 10.00   4.15 170.53) =  99.853%  kept
        T HG    LEU   71 - QD1   ILE   19   6.94 +/- 3.48   6.013% *  0.8843% (0.90   1.0 10.00   0.02   0.72) =   0.100%
          QG2   THR   39 - QD1   ILE   19   6.83 +/- 3.72  15.330% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.024%
          HG2   LYS+  74 - QD1   ILE   19   9.44 +/- 2.70   9.593% *  0.0910% (0.92   1.0  1.00   0.02   8.22) =   0.016%
          QB    ALA   34 - QD1   ILE   19   5.87 +/- 1.95  13.625% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.006%
          HG3   LYS+  99 - QD1   ILE   19  13.94 +/- 3.84   0.509% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - QD1   ILE   19  11.74 +/- 2.68   0.461% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD1   ILE   19  17.21 +/- 1.74   0.114% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD1   ILE   19  15.79 +/- 2.05   0.166% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   ILE   19  16.79 +/- 2.25   0.138% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   19  23.57 +/- 2.26   0.046% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 109 (0.74, 0.74, 12.33 ppm):
    1 diagonal assignment:
    *     QD1   ILE   19 - QD1   ILE   19  (1.00)  kept
 
    Peak 110 (4.63, 4.63, 51.23 ppm):
    1 diagonal assignment:
    *     HA    ALA   20 - HA    ALA   20  (1.00)  kept
 
    Peak 111 (1.14, 4.63, 51.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 15.2:
    * O T QB    ALA   20 - HA    ALA   20   2.12 +/- 0.01  97.543% * 99.6998% (1.00  10.0 10.00   2.31  15.21) =  99.999%  kept
          QG2   VAL  107 - HA    ALA   20  15.69 +/- 3.32   0.601% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    ALA   20  20.64 +/- 5.23   0.420% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    ALA   20  13.00 +/- 1.30   0.489% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    ALA   20  17.52 +/- 3.39   0.330% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    ALA   20  17.86 +/- 4.01   0.491% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ALA   20  22.86 +/- 4.51   0.126% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 112 (4.63, 1.14, 19.25 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 15.2:
    * O T HA    ALA   20 - QB    ALA   20   2.12 +/- 0.01  84.936% * 99.9427% (1.00  10.0 10.00   2.31  15.21) =  99.993%  kept
          HA    LEU   71 - QB    ALA   20   8.36 +/- 2.48  14.677% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.006%
          HA    LYS+ 102 - QB    ALA   20  18.04 +/- 3.86   0.387% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 113 (1.14, 1.14, 19.25 ppm):
    1 diagonal assignment:
    *     QB    ALA   20 - QB    ALA   20  (1.00)  kept
 
    Peak 114 (4.59, 4.59, 57.78 ppm):
    1 diagonal assignment:
    *     HA    CYS   21 - HA    CYS   21  (1.00)  kept
 
    Peak 115 (3.08, 4.59, 57.78 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.77, residual support = 29.8:
    * O T HB2   CYS   21 - HA    CYS   21   2.59 +/- 0.20  99.384% * 99.9059% (1.00  10.0 10.00   2.77  29.82) = 100.000%  kept
          HB2   PHE   45 - HA    CYS   21  16.07 +/- 1.72   0.493% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    CYS   21  25.33 +/- 2.42   0.123% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 116 (2.60, 4.59, 57.78 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 2.72, residual support = 29.8:
    * O T HB3   CYS   21 - HA    CYS   21   2.78 +/- 0.26  99.318% * 99.9348% (0.69  10.0 10.00   2.72  29.82) = 100.000%  kept
          HG2   MET   96 - HA    CYS   21  17.33 +/- 3.11   0.682% *  0.0652% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 118 (3.08, 3.08, 28.30 ppm):
    1 diagonal assignment:
    *     HB2   CYS   21 - HB2   CYS   21  (1.00)  kept
 
    Peak 119 (2.60, 3.08, 28.30 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 2.62, residual support = 29.8:
    * O T HB3   CYS   21 - HB2   CYS   21   1.75 +/- 0.00  99.811% * 99.9348% (0.69  10.0 10.00   2.62  29.82) = 100.000%  kept
          HG2   MET   96 - HB2   CYS   21  16.21 +/- 3.14   0.189% *  0.0652% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 121 (3.08, 2.60, 28.30 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 2.62, residual support = 29.8:
    * O T HB2   CYS   21 - HB3   CYS   21   1.75 +/- 0.00  99.776% * 99.9059% (0.69  10.0 10.00   2.62  29.82) = 100.000%  kept
          HB2   PHE   45 - HB3   CYS   21  15.22 +/- 2.28   0.185% *  0.0375% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   CYS   21  24.61 +/- 2.17   0.039% *  0.0566% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 122 (2.60, 2.60, 28.30 ppm):
    1 diagonal assignment:
    *     HB3   CYS   21 - HB3   CYS   21  (0.47)  kept
 
    Peak 123 (4.68, 4.68, 56.96 ppm):
    1 diagonal assignment:
    *     HA    HIS   22 - HA    HIS   22  (0.89)  kept
 
    Peak 124 (3.50, 4.68, 56.96 ppm):
    3 chemical-shift based assignments, quality = 0.757, support = 2.32, residual support = 35.1:
    * O T HB2   HIS   22 - HA    HIS   22   2.41 +/- 0.07  96.965% * 99.8331% (0.76  10.0 10.00   2.32  35.14) =  99.996%  kept
          HA    LEU   63 - HA    HIS   22  15.97 +/- 3.74   2.691% *  0.1244% (0.94   1.0  1.00   0.02   0.02) =   0.003%
          HA2   GLY  101 - HA    HIS   22  21.95 +/- 4.45   0.344% *  0.0425% (0.32   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 125 (3.24, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.45, residual support = 35.1:
    * O T HB3   HIS   22 - HA    HIS   22   2.97 +/- 0.15  98.670% * 99.9165% (0.95  10.0 10.00   3.45  35.14) =  99.999%  kept
          HD3   ARG+  54 - HA    HIS   22  22.28 +/- 5.72   1.330% *  0.0835% (0.79   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 126 (4.68, 3.50, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.757, support = 2.32, residual support = 35.1:
    * O T HA    HIS   22 - HB2   HIS   22   2.41 +/- 0.07  94.229% * 99.7956% (0.76  10.0 10.00   2.32  35.14) =  99.994%  kept
          HA    ASN   69 - HB2   HIS   22  19.63 +/- 4.55   3.251% *  0.1046% (0.79   1.0  1.00   0.02   0.02) =   0.004%
          HA    VAL   43 - HB2   HIS   22  14.15 +/- 3.96   2.521% *  0.0998% (0.76   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 127 (3.50, 3.50, 29.58 ppm):
    1 diagonal assignment:
    *     HB2   HIS   22 - HB2   HIS   22  (0.64)  kept
 
    Peak 128 (3.24, 3.50, 29.58 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 35.1:
    * O T HB3   HIS   22 - HB2   HIS   22   1.75 +/- 0.00  99.721% * 99.9165% (0.80  10.0 10.00   4.26  35.14) = 100.000%  kept
          HD3   ARG+  54 - HB2   HIS   22  23.06 +/- 6.48   0.279% *  0.0835% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 129 (4.68, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.45, residual support = 35.1:
    * O T HA    HIS   22 - HB3   HIS   22   2.97 +/- 0.15  94.419% * 99.7956% (0.95  10.0 10.00   3.45  35.14) =  99.994%  kept
          HA    VAL   43 - HB3   HIS   22  14.43 +/- 3.84   3.389% *  0.0998% (0.95   1.0  1.00   0.02   0.02) =   0.004%
          HA    ASN   69 - HB3   HIS   22  19.56 +/- 4.26   2.192% *  0.1046% (0.99   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 130 (3.50, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 35.1:
    * O T HB2   HIS   22 - HB3   HIS   22   1.75 +/- 0.00  99.415% * 99.8331% (0.80  10.0 10.00   4.26  35.14) =  99.999%  kept
          HA    LEU   63 - HB3   HIS   22  17.79 +/- 4.03   0.467% *  0.1244% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - HB3   HIS   22  23.38 +/- 4.73   0.118% *  0.0425% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 131 (3.24, 3.24, 29.58 ppm):
    1 diagonal assignment:
    *     HB3   HIS   22 - HB3   HIS   22  (1.00)  kept
 
    Peak 132 (4.83, 4.83, 58.62 ppm):
    1 diagonal assignment:
    *     HA    THR   23 - HA    THR   23  (0.64)  kept
 
    Peak 133 (1.28, 4.83, 58.62 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.35, residual support = 19.1:
    * O T QG2   THR   23 - HA    THR   23   2.62 +/- 0.48  94.415% * 99.3383% (0.80  10.0 10.00   3.35  19.05) =  99.995%  kept
        T QG2   THR   39 - HA    THR   23  15.90 +/- 2.45   0.744% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T QB    ALA   91 - HA    THR   23  17.42 +/- 2.98   0.527% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HA    THR   23  12.63 +/- 1.19   1.236% *  0.0830% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - HA    THR   23  11.58 +/- 2.48   2.397% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    THR   23  18.37 +/- 3.28   0.422% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    THR   23  21.93 +/- 2.62   0.258% *  0.0445% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 134 (4.83, 1.28, 21.81 ppm):
    12 chemical-shift based assignments, quality = 0.62, support = 3.35, residual support = 19.1:
    * O T HA    THR   23 - QG2   THR   23   2.62 +/- 0.48  37.751% * 73.9129% (0.80  10.0 10.00   3.35  19.05) =  65.403%  kept
      O   HB    THR   23 - QG2   THR   23   2.15 +/- 0.01  57.505% * 25.6645% (0.28  10.0  1.00   3.35  19.05) =  34.593%  kept
          HA    LEU   80 - QG2   THR   23  11.57 +/- 4.93   1.346% *  0.0379% (0.41   1.0  1.00   0.02   0.74) =   0.001%
          HA    ASP-  78 - QG2   THR   23  13.11 +/- 2.88   0.420% *  0.0915% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   23 - QG2   THR   39  15.90 +/- 2.45   0.203% *  0.1646% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HA    THR   23 - QB    ALA   91  17.42 +/- 2.98   0.159% *  0.0777% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QG2   THR   39  17.75 +/- 4.87   1.069% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QB    ALA   91  12.03 +/- 3.55   0.526% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   39  19.37 +/- 3.80   0.245% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QB    ALA   91  12.42 +/- 2.28   0.454% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QG2   THR   39  16.29 +/- 2.68   0.196% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QB    ALA   91  19.01 +/- 3.05   0.126% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 135 (1.28, 1.28, 21.81 ppm):
    3 diagonal assignments:
    *     QG2   THR   23 - QG2   THR   23  (1.00)  kept
          QG2   THR   39 - QG2   THR   39  (0.05)  kept
          QB    ALA   91 - QB    ALA   91  (0.02)  kept
 
    Peak 136 (3.77, 3.77, 66.14 ppm):
    1 diagonal assignment:
    *     HA    VAL   24 - HA    VAL   24  (1.00)  kept
 
    Peak 137 (1.10, 3.77, 66.14 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 64.9:
    * O T QG1   VAL   24 - HA    VAL   24   2.97 +/- 0.42  95.621% * 99.7332% (1.00  10.0 10.00   3.42  64.95) =  99.998%  kept
          HB3   LEU   31 - HA    VAL   24   9.86 +/- 0.69   3.020% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HA    VAL   24  16.85 +/- 2.23   0.625% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HA    VAL   24  24.84 +/- 4.59   0.267% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL   24  20.82 +/- 3.91   0.466% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.15 A, kept.
 
    Peak 138 (3.77, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 64.9:
    * O T HA    VAL   24 - QG1   VAL   24   2.97 +/- 0.42  95.792% * 99.8757% (1.00  10.0 10.00   3.42  64.95) =  99.999%  kept
          HA    ALA   61 - QG1   VAL   24  13.70 +/- 3.35   2.537% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - QG1   VAL   24  16.20 +/- 2.25   0.783% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   68 - QG1   VAL   24  18.12 +/- 3.12   0.888% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 139 (1.10, 1.10, 23.10 ppm):
    1 diagonal assignment:
    *     QG1   VAL   24 - QG1   VAL   24  (1.00)  kept
 
    Peak 140 (4.18, 4.18, 61.45 ppm):
    2 diagonal assignments:
    *     HA    GLU-  25 - HA    GLU-  25  (1.00)  kept
          HA    SER   82 - HA    SER   82  (0.20)  kept
 
    Peak 141 (2.20, 4.18, 61.45 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 127.4:
    * O T HB2   GLU-  25 - HA    GLU-  25   2.98 +/- 0.06  90.049% * 99.2829% (1.00  10.0 10.00   5.26 127.38) =  99.994%  kept
        T HB2   GLU-  25 - HA    SER   82  18.58 +/- 6.23   0.828% *  0.3216% (0.32   1.0 10.00   0.02   0.02) =   0.003%
          QG    GLN   17 - HA    GLU-  25  17.23 +/- 1.97   0.612% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    GLU-  25  17.33 +/- 3.40   0.952% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    GLU-  25  19.86 +/- 5.90   3.008% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HA    GLU-  25  19.44 +/- 2.01   0.384% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   82  27.11 +/- 7.22   1.764% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   82  15.14 +/- 2.95   0.964% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    SER   82  21.73 +/- 3.96   0.481% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  25  19.96 +/- 2.06   0.352% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    SER   82  22.92 +/- 3.01   0.243% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   82  24.99 +/- 5.58   0.364% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 142 (2.01, 4.18, 61.45 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.4:
    * O T HB3   GLU-  25 - HA    GLU-  25   2.69 +/- 0.16  92.177% * 98.0202% (1.00  10.0 10.00   5.00 127.38) =  99.985%  kept
        T HB    ILE   19 - HA    GLU-  25  12.62 +/- 0.98   1.018% *  0.7491% (0.76   1.0 10.00   0.02   0.02) =   0.008%
        T HB3   GLU-  25 - HA    SER   82  18.17 +/- 6.61   0.852% *  0.3175% (0.32   1.0 10.00   0.02   0.02) =   0.003%
        T HB    ILE   19 - HA    SER   82  20.73 +/- 3.54   0.273% *  0.2427% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    GLU-  25   9.13 +/- 0.81   2.633% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HA    GLU-  25  17.84 +/- 2.06   0.394% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU-  25  19.23 +/- 1.87   0.301% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    SER   82  24.17 +/- 5.60   0.562% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  25  24.97 +/- 3.83   0.138% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  25  24.39 +/- 3.38   0.167% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU-  25  24.64 +/- 3.64   0.164% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    SER   82  24.64 +/- 4.75   0.322% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  25  29.41 +/- 3.80   0.085% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    SER   82  21.98 +/- 3.04   0.207% *  0.0265% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    SER   82  24.41 +/- 3.37   0.157% *  0.0285% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    SER   82  20.00 +/- 4.64   0.361% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    SER   82  27.43 +/- 2.81   0.099% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    SER   82  28.11 +/- 2.95   0.091% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 143 (2.52, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.4:
    * O T HG2   GLU-  25 - HA    GLU-  25   2.51 +/- 0.54  94.763% * 99.4877% (1.00  10.0 10.00   4.31 127.38) =  99.997%  kept
        T HG2   GLU-  25 - HA    SER   82  18.51 +/- 7.31   0.619% *  0.3223% (0.32   1.0 10.00   0.02   0.02) =   0.002%
          HB3   TRP   87 - HA    SER   82   9.87 +/- 0.34   2.383% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    GLU-  25  17.55 +/- 4.28   0.709% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    GLU-  25  20.38 +/- 2.40   0.492% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    GLU-  25  28.47 +/- 4.75   0.159% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    GLU-  25  28.03 +/- 4.63   0.184% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    SER   82  18.69 +/- 1.89   0.452% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    SER   82  27.04 +/- 4.03   0.119% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    SER   82  26.71 +/- 3.69   0.119% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 144 (2.33, 4.18, 61.45 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 3.73, residual support = 127.4:
    * O T HG3   GLU-  25 - HA    GLU-  25   3.18 +/- 0.47  84.461% * 99.2510% (1.00  10.0 10.00   3.73 127.38) =  99.990%  kept
        T HG3   GLU-  25 - HA    SER   82  18.86 +/- 7.03   1.264% *  0.3215% (0.32   1.0 10.00   0.02   0.02) =   0.005%
          HB2   GLU-  79 - HA    GLU-  25  14.96 +/- 4.82   2.310% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HA    SER   82   9.62 +/- 0.77   3.737% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   92 - HA    SER   82  14.86 +/- 3.44   3.065% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HA    GLU-  25  26.50 +/- 4.58   0.365% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    SER   82  27.86 +/- 7.54   1.855% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU-  25  18.33 +/- 1.33   0.517% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    SER   82  20.88 +/- 3.91   0.688% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    GLU-  25  23.75 +/- 4.79   0.505% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  25  23.51 +/- 3.78   0.299% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  25  24.16 +/- 3.13   0.253% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    SER   82  21.19 +/- 2.79   0.382% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    SER   82  24.89 +/- 3.90   0.299% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.12 A, kept.
 
    Peak 145 (4.18, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 127.4:
    * O T HA    GLU-  25 - HB2   GLU-  25   2.98 +/- 0.06  97.534% * 99.2383% (1.00  10.0 10.00   5.26 127.38) =  99.993%  kept
        T HA    SER   82 - HB2   GLU-  25  18.58 +/- 6.23   0.896% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.006%
          HA    ILE   19 - HB2   GLU-  25  13.33 +/- 1.41   1.297% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HB2   GLU-  25  25.44 +/- 4.11   0.274% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 146 (2.20, 2.20, 28.95 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  25 - HB2   GLU-  25  (1.00)  kept
 
    Peak 147 (2.01, 2.20, 28.95 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 127.4:
    * O T HB3   GLU-  25 - HB2   GLU-  25   1.75 +/- 0.00  98.586% * 97.2368% (1.00  10.0 10.00   5.26 127.38) =  99.997%  kept
        T QB    GLU-  15 - HB2   GLU-  25  17.57 +/- 2.12   0.121% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   GLN   17 - HB2   GLU-  25  18.69 +/- 2.03   0.097% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PRO   68 - HB2   GLU-  25  24.96 +/- 3.70   0.051% *  0.5898% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB2   GLU-  25  12.37 +/- 1.06   0.302% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU-  25   9.27 +/- 0.89   0.734% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB2   GLU-  25  25.93 +/- 4.01   0.040% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB2   GLU-  25  24.87 +/- 3.28   0.047% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU-  25  30.53 +/- 3.71   0.022% *  0.0872% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 148 (2.52, 2.20, 28.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.57, residual support = 127.4:
    * O T HG2   GLU-  25 - HB2   GLU-  25   2.69 +/- 0.27  99.026% * 99.8559% (1.00  10.0 10.00   4.57 127.38) = 100.000%  kept
          HB3   TRP   87 - HB2   GLU-  25  18.97 +/- 3.97   0.493% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB2   GLU-  25  21.54 +/- 2.72   0.234% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   GLU-  25  29.18 +/- 4.85   0.126% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB2   GLU-  25  28.73 +/- 4.75   0.121% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 149 (2.33, 2.20, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 127.4:
    * O T HG3   GLU-  25 - HB2   GLU-  25   2.69 +/- 0.23  97.352% * 99.6757% (1.00  10.0 10.00   3.99 127.38) =  99.998%  kept
          HB2   GLU-  79 - HB2   GLU-  25  14.95 +/- 4.75   1.649% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HB2   GLU-  25  19.12 +/- 1.58   0.309% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB2   GLU-  25  27.09 +/- 4.63   0.120% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  25  25.10 +/- 3.34   0.170% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  25  24.38 +/- 3.50   0.168% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   GLU-  25  23.99 +/- 4.51   0.231% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 150 (4.18, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.4:
    * O T HA    GLU-  25 - HB3   GLU-  25   2.69 +/- 0.16  98.039% * 98.4268% (1.00  10.0 10.00   5.00 127.38) =  99.986%  kept
        T HA    ILE   19 - HB3   GLU-  25  14.11 +/- 1.44   0.830% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.008%
        T HA    SER   82 - HB3   GLU-  25  18.17 +/- 6.61   0.906% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.006%
          HA    CYS   53 - HB3   GLU-  25  25.54 +/- 4.05   0.225% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 151 (2.20, 2.01, 28.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 127.4:
    * O T HB2   GLU-  25 - HB3   GLU-  25   1.75 +/- 0.00  99.086% * 98.0062% (1.00  10.0 10.00   5.26 127.38) =  99.998%  kept
        T QG    GLN   17 - HB3   GLU-  25  17.41 +/- 2.26   0.140% *  0.9607% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   70 - HB3   GLU-  25  20.61 +/- 1.93   0.069% *  0.9271% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB3   GLU-  25  18.70 +/- 3.55   0.214% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLU-  25  21.42 +/- 5.95   0.433% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB3   GLU-  25  21.68 +/- 1.77   0.057% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 152 (2.01, 2.01, 28.95 ppm):
    1 diagonal assignment:
    *     HB3   GLU-  25 - HB3   GLU-  25  (1.00)  kept
 
    Peak 153 (2.52, 2.01, 28.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 127.4:
    * O T HG2   GLU-  25 - HB3   GLU-  25   2.91 +/- 0.12  98.670% * 99.8559% (1.00  10.0 10.00   4.44 127.38) =  99.999%  kept
          HB3   TRP   87 - HB3   GLU-  25  18.78 +/- 4.17   0.736% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB3   GLU-  25  21.60 +/- 2.53   0.318% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   GLU-  25  29.38 +/- 4.59   0.135% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB3   GLU-  25  28.94 +/- 4.48   0.141% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 154 (2.33, 2.01, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 127.4:
    * O T HG3   GLU-  25 - HB3   GLU-  25   2.49 +/- 0.22  97.905% * 99.2075% (1.00  10.0 10.00   3.86 127.38) =  99.998%  kept
          HB2   GLU-  79 - HB3   GLU-  25  14.88 +/- 5.11   1.223% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T QG    GLU- 114 - HB3   GLU-  25  25.15 +/- 3.27   0.137% *  0.5220% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HB3   GLU-  25  27.10 +/- 4.62   0.158% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   GLU-  25  19.64 +/- 1.68   0.229% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  25  24.19 +/- 3.96   0.141% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU-  25  24.30 +/- 4.40   0.207% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.09 A, kept.
 
    Peak 155 (4.18, 2.52, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.4:
    * O T HA    GLU-  25 - HG2   GLU-  25   2.51 +/- 0.54  98.539% * 99.2383% (1.00  10.0 10.00   4.31 127.38) =  99.995%  kept
        T HA    SER   82 - HG2   GLU-  25  18.51 +/- 7.31   0.644% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.004%
          HA    ILE   19 - HG2   GLU-  25  15.24 +/- 1.29   0.638% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HG2   GLU-  25  26.33 +/- 4.54   0.180% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 156 (2.20, 2.52, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.57, residual support = 127.4:
    * O T HB2   GLU-  25 - HG2   GLU-  25   2.69 +/- 0.27  97.829% * 99.7000% (1.00  10.0 10.00   4.57 127.38) =  99.999%  kept
          QG    GLN   17 - HG2   GLU-  25  18.35 +/- 2.10   0.425% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HG2   GLU-  25  19.08 +/- 3.40   0.452% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   GLU-  25  21.29 +/- 2.13   0.232% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  25  21.48 +/- 5.99   0.842% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  25  21.65 +/- 2.10   0.220% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 157 (2.01, 2.52, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 127.4:
    * O T HB3   GLU-  25 - HG2   GLU-  25   2.91 +/- 0.12  95.612% * 99.4104% (1.00  10.0 10.00   4.44 127.38) =  99.997%  kept
          HB    ILE   19 - HG2   GLU-  25  14.10 +/- 0.82   0.897% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG2   GLU-  25  10.73 +/- 0.86   2.069% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG2   GLU-  25  18.91 +/- 2.02   0.426% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLU-  25  20.46 +/- 2.02   0.324% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   GLU-  25  26.30 +/- 4.24   0.177% *  0.0830% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   GLU-  25  26.12 +/- 3.51   0.196% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLU-  25  26.29 +/- 3.88   0.196% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU-  25  30.90 +/- 4.28   0.103% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 158 (2.52, 2.52, 37.82 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  25 - HG2   GLU-  25  (1.00)  kept
 
    Peak 159 (2.33, 2.52, 37.82 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.4:
    * O T HG3   GLU-  25 - HG2   GLU-  25   1.75 +/- 0.00  99.371% * 99.6757% (1.00  10.0 10.00   3.31 127.38) = 100.000%  kept
          HB2   GLU-  79 - HG2   GLU-  25  16.06 +/- 5.08   0.349% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  25  27.82 +/- 4.96   0.043% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   GLU-  25  19.68 +/- 1.68   0.076% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU-  25  25.05 +/- 5.26   0.076% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  25  25.49 +/- 3.48   0.040% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  25  24.85 +/- 3.80   0.045% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 160 (4.18, 2.33, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.73, residual support = 127.4:
    * O T HA    GLU-  25 - HG3   GLU-  25   3.18 +/- 0.47  97.103% * 98.4268% (1.00  10.0 10.00   3.73 127.38) =  99.981%  kept
        T HA    ILE   19 - HG3   GLU-  25  15.68 +/- 1.38   1.055% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.010%
        T HA    SER   82 - HG3   GLU-  25  18.86 +/- 7.03   1.453% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.009%
          HA    CYS   53 - HG3   GLU-  25  26.76 +/- 4.29   0.390% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.08 A, kept.
 
    Peak 161 (2.20, 2.33, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 127.4:
    * O T HB2   GLU-  25 - HG3   GLU-  25   2.69 +/- 0.23  95.697% * 99.7000% (1.00  10.0 10.00   3.99 127.38) =  99.998%  kept
          HG2   GLU- 100 - HG3   GLU-  25  22.32 +/- 6.37   3.008% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HG3   GLU-  25  18.76 +/- 2.19   0.349% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HG3   GLU-  25  19.93 +/- 3.49   0.530% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   GLU-  25  21.97 +/- 2.28   0.223% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG3   GLU-  25  22.50 +/- 2.08   0.193% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.15 A, kept.
 
    Peak 162 (2.01, 2.33, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 127.4:
    * O T HB3   GLU-  25 - HG3   GLU-  25   2.49 +/- 0.22  97.407% * 98.6730% (1.00  10.0 10.00   3.86 127.38) =  99.998%  kept
        T QB    GLU- 114 - HG3   GLU-  25  27.00 +/- 4.19   0.111% *  0.8242% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HG3   GLU-  25  14.60 +/- 0.83   0.531% *  0.0754% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   GLU-  25  11.32 +/- 0.82   1.172% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   GLU-  25  19.36 +/- 2.08   0.256% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   GLU-  25  20.94 +/- 2.14   0.203% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   GLU-  25  26.69 +/- 3.76   0.129% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   GLU-  25  26.82 +/- 4.11   0.127% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   GLU-  25  31.63 +/- 3.98   0.064% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 163 (2.52, 2.33, 37.82 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.4:
    * O T HG2   GLU-  25 - HG3   GLU-  25   1.75 +/- 0.00  99.761% * 99.8559% (1.00  10.0 10.00   3.31 127.38) = 100.000%  kept
          HB3   TRP   87 - HG3   GLU-  25  19.74 +/- 4.28   0.125% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HG3   GLU-  25  22.90 +/- 2.77   0.055% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG3   GLU-  25  30.59 +/- 5.20   0.028% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HG3   GLU-  25  30.17 +/- 5.15   0.030% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 164 (2.33, 2.33, 37.82 ppm):
    1 diagonal assignment:
    *     HG3   GLU-  25 - HG3   GLU-  25  (1.00)  kept
 
    Peak 165 (4.15, 4.15, 66.74 ppm):
    1 diagonal assignment:
    *     HA    THR   26 - HA    THR   26  (1.00)  kept
 
    Peak 166 (4.23, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 34.7:
    * O T HB    THR   26 - HA    THR   26   3.03 +/- 0.04  99.264% * 99.8279% (1.00  10.0 10.00   3.24  34.72) =  99.999%  kept
          HA    ASP-  62 - HA    THR   26  20.24 +/- 2.95   0.480% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HA    THR   26  28.32 +/- 4.70   0.256% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.63 A, kept.
 
    Peak 167 (1.50, 4.15, 66.74 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.23, residual support = 34.7:
    * O T QG2   THR   26 - HA    THR   26   2.59 +/- 0.13  95.932% * 99.3101% (1.00  10.0 10.00   3.23  34.72) =  99.996%  kept
        T HB3   LEU   40 - HA    THR   26  17.65 +/- 2.79   0.437% *  0.2761% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HA    THR   26  12.78 +/- 1.85   1.052% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - HA    THR   26  20.17 +/- 4.01   0.908% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HA    THR   26  19.04 +/- 3.25   0.401% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    THR   26  24.75 +/- 5.24   0.217% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR   26  19.70 +/- 4.17   0.496% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    THR   26  23.74 +/- 4.32   0.262% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    THR   26  25.35 +/- 5.12   0.163% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    THR   26  25.15 +/- 3.46   0.133% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 168 (4.15, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 34.7:
    * O T HA    THR   26 - HB    THR   26   3.03 +/- 0.04  87.168% * 99.6617% (1.00  10.0 10.00   3.24  34.72) =  99.995%  kept
          HA    ASN   28 - HB    THR   26   7.72 +/- 0.14   5.313% *  0.0308% (0.31   1.0  1.00   0.02   0.47) =   0.002%
          HA    ILE   19 - HB    THR   26   9.12 +/- 1.35   4.775% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - HB    THR   26  12.95 +/- 1.65   1.372% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - HB    THR   26  19.51 +/- 4.20   0.697% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU- 114 - HB    THR   26  27.57 +/- 4.12   0.174% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    THR   26  23.40 +/- 3.67   0.275% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB    THR   26  24.04 +/- 3.48   0.227% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.51 A, kept.
 
    Peak 169 (4.23, 4.23, 69.37 ppm):
    1 diagonal assignment:
    *     HB    THR   26 - HB    THR   26  (1.00)  kept
 
    Peak 170 (1.50, 4.23, 69.37 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.7:
    * O T QG2   THR   26 - HB    THR   26   2.15 +/- 0.01  96.702% * 99.4369% (1.00  10.0 10.00   3.00  34.72) =  99.997%  kept
          HB2   LYS+  74 - HB    THR   26  10.65 +/- 1.97   1.275% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T QB    ALA  120 - HB    THR   26  22.70 +/- 4.74   0.383% *  0.1346% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HB    THR   26  17.22 +/- 3.01   0.286% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB    THR   26  18.85 +/- 3.33   0.361% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB    THR   26  23.65 +/- 5.58   0.202% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB    THR   26  17.73 +/- 3.08   0.269% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB    THR   26  19.76 +/- 4.43   0.284% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB    THR   26  24.28 +/- 5.46   0.145% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    THR   26  23.66 +/- 3.47   0.092% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 171 (4.15, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.23, residual support = 34.7:
    * O T HA    THR   26 - QG2   THR   26   2.59 +/- 0.13  80.253% * 98.6211% (1.00  10.0 10.00   3.23  34.72) =  99.990%  kept
          HA    ILE   19 - QG2   THR   26   6.45 +/- 1.28  10.467% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          HA    ASN   28 - QG2   THR   26   6.47 +/- 0.17   5.362% *  0.0304% (0.31   1.0  1.00   0.02   0.47) =   0.002%
          HA    ALA   34 - QG2   THR   26   9.34 +/- 1.49   2.761% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLU- 114 - QG2   THR   26  23.14 +/- 3.12   0.140% *  0.8238% (0.84   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LEU  115 - QG2   THR   26  20.18 +/- 2.66   0.210% *  0.3364% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - QG2   THR   26  15.87 +/- 3.10   0.569% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   THR   26  19.92 +/- 3.01   0.237% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 172 (4.23, 1.50, 23.02 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.7:
    * O T HB    THR   26 - QG2   THR   26   2.15 +/- 0.01  99.458% * 99.1149% (1.00  10.0 10.00   3.00  34.72) =  99.998%  kept
        T HA    SER  117 - QG2   THR   26  22.58 +/- 3.98   0.207% *  0.7936% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HA    ASP-  62 - QG2   THR   26  15.32 +/- 1.94   0.335% *  0.0915% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 173 (1.50, 1.50, 23.02 ppm):
    1 diagonal assignment:
    *     QG2   THR   26 - QG2   THR   26  (1.00)  kept
 
    Peak 174 (4.49, 4.49, 60.67 ppm):
    1 diagonal assignment:
    *     HA    TRP   27 - HA    TRP   27  (1.00)  kept
 
    Peak 175 (3.56, 4.49, 60.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 100.6:
    * O T HB2   TRP   27 - HA    TRP   27   2.85 +/- 0.07  98.534% * 99.8554% (1.00  10.0 10.00   4.44 100.64) =  99.999%  kept
          HA    THR   77 - HA    TRP   27  13.99 +/- 2.31   1.134% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   93 - HA    TRP   27  20.90 +/- 2.75   0.333% *  0.0999% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 176 (2.99, 4.49, 60.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 100.6:
    * O T HB3   TRP   27 - HA    TRP   27   2.22 +/- 0.03  97.325% * 99.7166% (1.00  10.0 10.00   4.44 100.64) =  99.999%  kept
          HB2   PHE   97 - HA    TRP   27  16.01 +/- 3.18   0.540% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HA    TRP   27  16.13 +/- 2.97   0.579% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    TRP   27  14.96 +/- 3.15   0.523% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    TRP   27  16.43 +/- 2.90   0.322% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    TRP   27  13.99 +/- 2.85   0.710% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 177 (4.49, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 100.6:
    * O T HA    TRP   27 - HB2   TRP   27   2.85 +/- 0.07  99.076% * 99.7755% (1.00  10.0 10.00   4.44 100.64) =  99.999%  kept
          HA    ALA   91 - HB2   TRP   27  19.88 +/- 2.52   0.336% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   TRP   27  20.17 +/- 2.47   0.328% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB2   TRP   27  23.77 +/- 3.59   0.260% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 178 (3.56, 3.56, 30.32 ppm):
    1 diagonal assignment:
    *     HB2   TRP   27 - HB2   TRP   27  (1.00)  kept
 
    Peak 179 (2.99, 3.56, 30.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 100.6:
    * O T HB3   TRP   27 - HB2   TRP   27   1.75 +/- 0.00  98.577% * 99.7166% (1.00  10.0 10.00   4.97 100.64) =  99.999%  kept
          HB2   PHE   97 - HB2   TRP   27  16.12 +/- 3.74   0.436% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   TRP   27  16.04 +/- 3.02   0.279% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   TRP   27  15.96 +/- 3.27   0.186% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HB2   TRP   27  15.84 +/- 3.27   0.232% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB2   TRP   27  15.67 +/- 3.27   0.290% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 180 (4.49, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 100.6:
    * O T HA    TRP   27 - HB3   TRP   27   2.22 +/- 0.03  99.537% * 99.7755% (1.00  10.0 10.00   4.44 100.64) = 100.000%  kept
          HA    ALA   91 - HB3   TRP   27  19.52 +/- 2.31   0.166% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   TRP   27  19.36 +/- 2.24   0.175% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   TRP   27  23.09 +/- 3.28   0.123% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 181 (3.56, 2.99, 30.32 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 100.6:
    * O T HB2   TRP   27 - HB3   TRP   27   1.75 +/- 0.00  99.475% * 99.8554% (1.00  10.0 10.00   4.97 100.64) = 100.000%  kept
          HA    THR   77 - HB3   TRP   27  12.37 +/- 2.35   0.430% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HB3   TRP   27  19.22 +/- 2.49   0.095% *  0.0999% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 182 (2.99, 2.99, 30.32 ppm):
    1 diagonal assignment:
    *     HB3   TRP   27 - HB3   TRP   27  (1.00)  kept
 
    Peak 183 (4.13, 4.13, 56.27 ppm):
    1 diagonal assignment:
    *     HA    ASN   28 - HA    ASN   28  (1.00)  kept
 
    Peak 184 (2.93, 4.13, 56.27 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.49, residual support = 94.6:
    * O T HB2   ASN   28 - HA    ASN   28   3.05 +/- 0.01  89.069% * 99.2152% (1.00  10.0 10.00   4.49  94.63) =  99.979%  kept
        T HB2   ASN   35 - HA    ASN   28  11.18 +/- 1.75   2.786% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.014%
          QE    LYS+  33 - HA    ASN   28   9.62 +/- 0.72   3.032% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HA    ASN   28  14.89 +/- 6.26   2.166% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+  65 - HA    ASN   28  18.00 +/- 4.03   1.535% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HA    ASN   28  18.67 +/- 3.10   0.493% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   28  15.63 +/- 3.13   0.920% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 185 (2.73, 4.13, 56.27 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 4.18, residual support = 94.0:
    * O T HB3   ASN   28 - HA    ASN   28   2.59 +/- 0.07  93.607% * 87.2900% (1.00  10.0 10.00   4.19  94.63) =  99.124%  kept
          HG2   GLN   30 - HA    ASN   28   6.77 +/- 0.58   5.705% * 12.6556% (0.92   1.0  1.00   3.14  19.46) =   0.876%  kept
          QE    LYS+ 121 - HA    ASN   28  20.61 +/- 5.46   0.435% *  0.0391% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASN   28  22.44 +/- 5.23   0.253% *  0.0153% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 186 (4.13, 2.93, 38.30 ppm):
    18 chemical-shift based assignments, quality = 0.992, support = 4.47, residual support = 93.6:
    * O T HA    ASN   28 - HB2   ASN   28   3.05 +/- 0.01  62.105% * 92.9418% (1.00  10.0 10.00   4.49  94.63) =  98.821%  kept
          HA    THR   26 - HB2   ASN   28   4.52 +/- 0.21  19.581% *  1.7466% (0.31   1.0  1.00   1.22   0.47) =   0.586%  kept
          HA    ALA   34 - HB2   ASN   35   6.22 +/- 0.31   7.555% *  4.4634% (0.29   1.0  1.00   3.26  21.18) =   0.577%  kept
        T HA    ASN   28 - HB2   ASN   35  11.18 +/- 1.75   1.932% *  0.2891% (0.31   1.0 10.00   0.02   0.02) =   0.010%
          HA    ALA   34 - HB2   ASN   28  11.91 +/- 0.67   1.096% *  0.0879% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HA    ARG+  54 - HB2   ASN   28  25.68 +/- 5.69   1.584% *  0.0601% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY  101 - HB2   ASN   35  14.90 +/- 8.06   2.860% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - HB2   ASN   28  16.80 +/- 5.64   0.864% *  0.0744% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  115 - HB2   ASN   28  24.84 +/- 3.39   0.150% *  0.0927% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   28  18.48 +/- 4.88   0.496% *  0.0163% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   28  27.96 +/- 4.00   0.109% *  0.0601% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   ASN   35  14.17 +/- 1.19   0.678% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   28  30.15 +/- 5.87   0.108% *  0.0489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   35  26.12 +/- 3.62   0.146% *  0.0288% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   35  28.75 +/- 6.50   0.147% *  0.0152% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   35  29.40 +/- 5.06   0.114% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   35  25.20 +/- 5.85   0.382% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   35  28.75 +/- 3.71   0.094% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 187 (2.93, 2.93, 38.30 ppm):
    2 diagonal assignments:
    *     HB2   ASN   28 - HB2   ASN   28  (1.00)  kept
          HB2   ASN   35 - HB2   ASN   35  (0.14)  kept
 
    Peak 188 (2.73, 2.93, 38.30 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 94.5:
    * O T HB3   ASN   28 - HB2   ASN   28   1.75 +/- 0.00  97.276% * 91.8963% (1.00  10.0 10.00   5.44  94.63) =  99.868%  kept
          HG2   GLN   30 - HB2   ASN   28   7.29 +/- 0.69   1.507% *  7.7163% (0.92   1.0  1.00   1.82  19.46) =   0.130%  kept
        T HB3   ASN   28 - HB2   ASN   35  11.88 +/- 1.87   0.452% *  0.2859% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HG2   GLN   30 - HB2   ASN   35  11.57 +/- 1.32   0.395% *  0.0264% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   28  22.46 +/- 5.74   0.110% *  0.0412% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   35  21.52 +/- 6.11   0.122% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   28  24.41 +/- 5.44   0.068% *  0.0161% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   35  24.19 +/- 6.11   0.070% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 189 (4.13, 2.73, 38.30 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.19, residual support = 94.5:
    * O T HA    ASN   28 - HB3   ASN   28   2.59 +/- 0.07  87.718% * 98.2724% (1.00  10.0 10.00   4.19  94.63) =  99.893%  kept
          HA    THR   26 - HB3   ASN   28   6.07 +/- 0.22   6.996% *  1.2619% (0.31   1.0  1.00   0.83   0.47) =   0.102%  kept
          HA    ARG+  54 - HB3   ASN   28  26.02 +/- 5.99   2.504% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   34 - HB3   ASN   28  11.56 +/- 0.51   1.012% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - HB3   ASN   28  15.98 +/- 6.06   1.053% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  115 - HB3   ASN   28  24.79 +/- 3.51   0.145% *  0.0981% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   ASN   28  18.91 +/- 5.15   0.388% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   ASN   28  27.79 +/- 4.07   0.099% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   ASN   28  30.19 +/- 5.77   0.085% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 190 (2.93, 2.73, 38.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 94.6:
    * O T HB2   ASN   28 - HB3   ASN   28   1.75 +/- 0.00  98.171% * 99.2152% (1.00  10.0 10.00   5.44  94.63) =  99.997%  kept
        T HB2   ASN   35 - HB3   ASN   28  11.88 +/- 1.87   0.456% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          QE    LYS+  33 - HB3   ASN   28  10.34 +/- 0.88   0.520% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  65 - HB3   ASN   28  19.73 +/- 4.48   0.297% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HB3   ASN   28  16.09 +/- 6.59   0.338% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   28  20.17 +/- 3.37   0.082% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   28  17.41 +/- 3.32   0.137% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 191 (2.73, 2.73, 38.30 ppm):
    1 diagonal assignment:
    *     HB3   ASN   28 - HB3   ASN   28  (1.00)  kept
 
    Peak 192 (4.00, 4.00, 59.66 ppm):
    3 diagonal assignments:
    *     HA    GLU-  29 - HA    GLU-  29  (1.00)  kept
          HA    LYS+  33 - HA    LYS+  33  (0.26)  kept
          HA    GLN   32 - HA    GLN   32  (0.10)  kept
 
    Peak 193 (2.25, 4.00, 59.66 ppm):
    33 chemical-shift based assignments, quality = 0.997, support = 4.95, residual support = 92.6:
    * O T HB2   GLU-  29 - HA    GLU-  29   2.99 +/- 0.11  55.886% * 98.3644% (1.00  10.0 10.00   4.95  92.64) =  99.959%  kept
        T HB2   GLU-  29 - HA    LYS+  33   8.54 +/- 0.98   2.753% *  0.2698% (0.27   1.0 10.00   0.02   0.02) =   0.014%
        T HB2   GLU-  29 - HA    GLN   32   8.03 +/- 0.46   2.985% *  0.2203% (0.22   1.0 10.00   0.02   0.02) =   0.012%
        T HB3   PHE   72 - HA    GLU-  29  13.73 +/- 2.21   0.789% *  0.3692% (0.37   1.0 10.00   0.02   0.02) =   0.005%
        T HB3   PHE   72 - HA    LYS+  33  12.94 +/- 2.57   1.035% *  0.1013% (0.10   1.0 10.00   0.02   0.02) =   0.002%
          HG2   GLU- 100 - HA    GLN   32  13.61 +/- 6.92   8.055% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    GLU-  29  16.45 +/- 5.82   1.592% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - HA    LYS+  33  23.50 +/- 5.23   4.855% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - HA    LYS+  33   9.99 +/- 3.04   6.696% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - HA    GLU-  29  21.16 +/- 4.05   0.539% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLN   32  21.89 +/- 4.69   2.021% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLU-  29  15.28 +/- 3.30   0.615% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLU-  29  13.70 +/- 2.38   0.857% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  29  26.54 +/- 4.35   0.173% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LYS+  33  14.60 +/- 6.56   1.579% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  29  17.72 +/- 2.49   0.558% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU-  29  22.16 +/- 3.14   0.185% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU-  29  19.02 +/- 2.91   0.283% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    LYS+  33  13.05 +/- 3.65   1.162% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  29  25.52 +/- 3.41   0.113% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   32  13.03 +/- 2.63   1.061% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   32  15.75 +/- 3.86   1.269% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   32  17.91 +/- 2.85   1.273% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLN   32  27.23 +/- 5.17   0.339% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  33  21.10 +/- 3.72   0.568% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   32  13.06 +/- 3.02   1.280% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  33  28.59 +/- 4.64   0.175% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   32  20.67 +/- 3.34   0.226% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  33  22.29 +/- 2.87   0.164% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LYS+  33  18.54 +/- 2.15   0.394% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   32  20.97 +/- 3.11   0.279% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   32  25.10 +/- 3.58   0.139% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LYS+  33  25.64 +/- 2.89   0.104% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.23 A, kept.
 
    Peak 194 (2.16, 4.00, 59.66 ppm):
    18 chemical-shift based assignments, quality = 0.862, support = 5.19, residual support = 91.7:
      O   HB3   GLU-  29 - HA    GLU-  29   2.62 +/- 0.12  39.517% * 43.8685% (0.80  10.0  1.00   5.20  92.64) =  63.699%  kept
    * O T HG3   GLU-  29 - HA    GLU-  29   3.48 +/- 0.19  17.529% * 54.7851% (1.00  10.0 10.00   5.25  92.64) =  35.287%  kept
          QB    GLU-  36 - HA    LYS+  33   3.27 +/- 0.96  28.520% *  0.9584% (0.13   1.0  1.00   2.62   0.02) =   1.004%  kept
        T HG3   GLU-  29 - HA    LYS+  33   9.92 +/- 1.17   0.800% *  0.1503% (0.27   1.0 10.00   0.02   0.02) =   0.004%
          HB3   GLU-  29 - HA    LYS+  33   7.48 +/- 1.32   2.128% *  0.0120% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - HA    GLU-  29   9.64 +/- 1.35   0.872% *  0.0267% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HA    GLN   32   9.98 +/- 1.59   2.315% *  0.0089% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HA    GLN   32   7.25 +/- 0.43   1.942% *  0.0098% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - HA    GLN   32   6.61 +/- 0.63   2.526% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HA    GLN   32   8.89 +/- 0.58   1.067% *  0.0123% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  29  14.25 +/- 1.49   0.309% *  0.0398% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    LYS+  33   9.05 +/- 0.56   1.020% *  0.0109% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  29  24.44 +/- 4.52   0.154% *  0.0518% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  33  27.10 +/- 5.41   0.473% *  0.0142% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLN   32  25.30 +/- 4.96   0.335% *  0.0116% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  29  18.34 +/- 3.68   0.161% *  0.0225% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    LYS+  33  21.04 +/- 4.42   0.209% *  0.0062% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLN   32  20.70 +/- 3.89   0.124% *  0.0050% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 195 (2.43, 4.00, 59.66 ppm):
    21 chemical-shift based assignments, quality = 0.998, support = 4.69, residual support = 92.6:
    * O T HG2   GLU-  29 - HA    GLU-  29   2.43 +/- 0.47  85.285% * 99.0116% (1.00  10.0 10.00   4.69  92.64) =  99.979%  kept
        T HG2   GLU-  29 - HA    LYS+  33   8.92 +/- 1.25   3.012% *  0.2716% (0.27   1.0 10.00   0.02   0.02) =   0.010%
        T HG2   GLU-  29 - HA    GLN   32   7.58 +/- 0.76   3.579% *  0.2218% (0.22   1.0 10.00   0.02   0.02) =   0.009%
          HB3   PHE   45 - HA    GLN   32  21.16 +/- 4.44   4.135% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HA    GLU-  29  18.73 +/- 5.53   0.502% *  0.0956% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - HA    GLU-  29  20.64 +/- 3.38   0.352% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  29  23.18 +/- 3.29   0.148% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLN   32  19.92 +/- 5.97   0.398% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLU-  29  18.66 +/- 3.45   0.317% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  22.51 +/- 3.47   0.383% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  26.47 +/- 4.73   0.102% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    LYS+  33  21.77 +/- 5.22   0.224% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  23.15 +/- 2.60   0.142% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    LYS+  33  23.20 +/- 2.19   0.125% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLN   32  17.98 +/- 4.20   0.402% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLN   32  23.32 +/- 3.15   0.139% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    LYS+  33  19.84 +/- 3.18   0.247% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  27.22 +/- 4.23   0.082% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  26.44 +/- 4.65   0.100% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  22.41 +/- 3.21   0.200% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  24.00 +/- 2.42   0.126% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.08 A, kept.
 
    Peak 196 (4.00, 2.25, 30.32 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 4.95, residual support = 92.6:
    * O T HA    GLU-  29 - HB2   GLU-  29   2.99 +/- 0.11  86.244% * 98.1508% (1.00  10.0 10.00   4.95  92.64) =  99.925%  kept
        T HA    LYS+  33 - HB2   GLU-  29   8.54 +/- 0.98   4.249% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.047%
        T HA    GLN   32 - HB2   GLU-  29   8.03 +/- 0.46   4.581% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.024%
          HA    VAL   18 - HB2   GLU-  29  13.10 +/- 2.17   1.547% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   48 - HB2   GLU-  29  23.45 +/- 5.05   1.270% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB2   GLU-  29  19.61 +/- 6.47   0.754% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB2   GLU-  29  17.05 +/- 2.04   0.583% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   GLU-  29  22.78 +/- 3.79   0.269% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   GLU-  29  27.92 +/- 4.81   0.370% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   GLU-  29  27.30 +/- 3.26   0.132% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 197 (2.25, 2.25, 30.32 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  29 - HB2   GLU-  29  (1.00)  kept
 
    Peak 198 (2.16, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.872, support = 4.53, residual support = 92.6:
      O   HB3   GLU-  29 - HB2   GLU-  29   1.75 +/- 0.00  68.633% * 44.1051% (0.80  10.0  1.00   4.54  92.64) =  64.123%  kept
    * O T HG3   GLU-  29 - HB2   GLU-  29   2.29 +/- 0.06  30.748% * 55.0806% (1.00  10.0 10.00   4.51  92.64) =  35.876%  kept
        T HB2   GLN   90 - HB2   GLU-  29  24.34 +/- 4.40   0.059% *  0.5210% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   GLU-  79 - HB2   GLU-  29  16.95 +/- 3.78   0.114% *  0.2264% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - HB2   GLU-  29  10.77 +/- 1.49   0.344% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   GLU-  29  15.86 +/- 1.34   0.101% *  0.0400% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 199 (2.43, 2.25, 30.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 92.6:
    * O T HG2   GLU-  29 - HB2   GLU-  29   2.88 +/- 0.12  97.861% * 99.6674% (1.00  10.0 10.00   4.15  92.64) =  99.999%  kept
          HB3   ASP-  86 - HB2   GLU-  29  18.76 +/- 5.02   0.585% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - HB2   GLU-  29  20.44 +/- 2.83   0.454% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   GLU-  29  22.67 +/- 2.96   0.264% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   GLU-  29  26.32 +/- 4.51   0.192% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   GLU-  29  19.27 +/- 3.09   0.436% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  29  23.58 +/- 2.36   0.208% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 204 (4.00, 2.43, 36.74 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 4.69, residual support = 92.6:
    * O T HA    GLU-  29 - HG2   GLU-  29   2.43 +/- 0.47  90.063% * 98.1508% (1.00  10.0 10.00   4.69  92.64) =  99.945%  kept
        T HA    LYS+  33 - HG2   GLU-  29   8.92 +/- 1.25   3.178% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.033%
        T HA    GLN   32 - HG2   GLU-  29   7.58 +/- 0.76   3.776% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.019%
          HA    SER   48 - HG2   GLU-  29  24.87 +/- 5.74   0.968% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HG2   GLU-  29  15.22 +/- 2.25   0.576% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HG2   GLU-  29  20.49 +/- 7.01   0.505% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HG2   GLU-  29  18.58 +/- 2.00   0.310% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   GLU-  29  28.65 +/- 4.11   0.147% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   GLU-  29  29.30 +/- 5.68   0.322% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   GLU-  29  23.45 +/- 4.41   0.155% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 205 (2.25, 2.43, 36.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 92.6:
    * O T HB2   GLU-  29 - HG2   GLU-  29   2.88 +/- 0.12  93.215% * 99.5124% (1.00  10.0 10.00   4.15  92.64) =  99.997%  kept
          HG2   GLU- 100 - HG2   GLU-  29  18.08 +/- 5.96   2.044% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HG2   GLU-  29  15.41 +/- 2.07   0.769% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG2   GLU-  29  15.83 +/- 3.44   0.859% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   GLU-  29  21.92 +/- 4.08   0.584% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   GLU-  29  27.51 +/- 4.36   0.231% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG2   GLU-  29  14.68 +/- 2.23   0.994% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   GLU-  29  19.64 +/- 3.03   0.361% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   GLU-  29  19.07 +/- 2.53   0.564% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG2   GLU-  29  23.80 +/- 3.45   0.228% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   GLU-  29  26.85 +/- 3.76   0.151% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.38 A, kept.
 
    Peak 206 (2.16, 2.43, 36.74 ppm):
    6 chemical-shift based assignments, quality = 0.964, support = 4.24, residual support = 92.6:
    * O T HG3   GLU-  29 - HG2   GLU-  29   1.75 +/- 0.00  77.916% * 55.3193% (1.00  10.0 10.00   4.20  92.64) =  81.943%  kept
      O T HB3   GLU-  29 - HG2   GLU-  29   2.76 +/- 0.22  21.440% * 44.2962% (0.80  10.0 10.00   4.40  92.64) =  18.055%  kept
        T QB    GLU-  36 - HG2   GLU-  29  11.09 +/- 1.63   0.368% *  0.2693% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HG2   GLU-  29  16.20 +/- 1.59   0.113% *  0.0402% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  29  25.28 +/- 4.68   0.069% *  0.0523% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  29  18.71 +/- 3.82   0.095% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 207 (2.43, 2.43, 36.74 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  29 - HG2   GLU-  29  (1.00)  kept
 
    Peak 208 (3.84, 3.84, 58.37 ppm):
    1 diagonal assignment:
    *     HA    GLN   30 - HA    GLN   30  (1.00)  kept
 
    Peak 209 (2.04, 3.84, 58.37 ppm):
    11 chemical-shift based assignments, quality = 0.951, support = 4.86, residual support = 159.2:
    * O T HB2   GLN   30 - HA    GLN   30   2.67 +/- 0.17  57.353% * 53.1933% (1.00  10.0 10.00   4.78 159.23) =  63.240%  kept
      O T HG3   GLN   30 - HA    GLN   30   3.15 +/- 0.46  38.431% * 46.1414% (0.87  10.0 10.00   5.01 159.23) =  36.757%  kept
        T HB2   PRO   93 - HA    GLN   30  22.49 +/- 3.67   0.166% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HA    GLN   30  16.12 +/- 5.43   0.699% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HA    GLN   30  10.40 +/- 2.32   1.676% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLN   30  12.37 +/- 2.53   1.158% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HA    GLN   30  28.74 +/- 2.95   0.053% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   30  24.37 +/- 3.22   0.095% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLN   30  19.20 +/- 2.41   0.187% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLN   30  26.80 +/- 4.57   0.097% *  0.0461% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLN   30  24.30 +/- 2.33   0.087% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 210 (1.89, 3.84, 58.37 ppm):
    12 chemical-shift based assignments, quality = 0.989, support = 5.2, residual support = 157.0:
    * O T HB3   GLN   30 - HA    GLN   30   2.97 +/- 0.08  56.083% * 97.5449% (1.00  10.0 10.00   5.25 159.23) =  98.577%  kept
          QB    LYS+  33 - HA    GLN   30   3.61 +/- 0.99  40.428% *  1.9497% (0.25   1.0  1.00   1.60   0.31) =   1.420%  kept
          HB3   LYS+  38 - HA    GLN   30  12.74 +/- 1.72   0.951% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HG3   MET   11 - HA    GLN   30  19.06 +/- 4.43   0.954% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   30  24.22 +/- 3.37   0.128% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   30  22.58 +/- 2.88   0.143% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLN   30  19.26 +/- 4.30   0.299% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   30  24.34 +/- 3.60   0.132% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   30  18.83 +/- 2.29   0.248% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   30  19.58 +/- 3.23   0.341% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   30  23.60 +/- 4.14   0.177% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   30  26.98 +/- 4.75   0.115% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 211 (2.73, 3.84, 58.37 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.72, residual support = 158.6:
    * O T HG2   GLN   30 - HA    GLN   30   2.82 +/- 0.62  92.392% * 93.7141% (1.00  10.0 10.00   5.75 159.23) =  99.525%  kept
          HB3   ASN   28 - HA    GLN   30   7.54 +/- 0.08   6.667% *  6.1895% (0.92   1.0  1.00   1.43  19.46) =   0.474%  kept
          QE    LYS+ 121 - HA    GLN   30  20.41 +/- 4.53   0.544% *  0.0644% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    GLN   30  21.97 +/- 4.76   0.397% *  0.0320% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 212 (3.84, 2.04, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.78, residual support = 159.2:
    * O T HA    GLN   30 - HB2   GLN   30   2.67 +/- 0.17  88.064% * 99.6678% (1.00  10.0 10.00   4.78 159.23) =  99.996%  kept
          HB    THR   39 - HB2   GLN   30   9.77 +/- 3.17   7.019% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          HB3   SER   37 - HB2   GLN   30  10.18 +/- 2.14   2.402% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   GLN   30  18.39 +/- 5.07   0.526% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   GLN   30  13.48 +/- 2.74   1.042% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLN   30  21.97 +/- 3.45   0.282% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   GLN   30  25.87 +/- 3.57   0.131% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   GLN   30  18.94 +/- 2.13   0.297% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   GLN   30  21.38 +/- 2.84   0.236% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 213 (2.04, 2.04, 28.09 ppm):
    1 diagonal assignment:
    *     HB2   GLN   30 - HB2   GLN   30  (1.00)  kept
 
    Peak 214 (1.89, 2.04, 28.09 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.02, residual support = 159.2:
    * O T HB3   GLN   30 - HB2   GLN   30   1.75 +/- 0.00  94.178% * 98.9590% (1.00  10.0 10.00   5.02 159.23) =  99.998%  kept
          QB    LYS+  33 - HB2   GLN   30   5.36 +/- 0.83   4.544% *  0.0247% (0.25   1.0  1.00   0.02   0.31) =   0.001%
        T QB    LYS+ 106 - HB2   GLN   30  17.15 +/- 2.29   0.117% *  0.4068% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HB2   GLN   30  12.87 +/- 1.92   0.327% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB2   GLN   30  24.94 +/- 4.34   0.056% *  0.1527% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   30  20.68 +/- 2.77   0.075% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   30  22.16 +/- 2.91   0.061% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   30  22.28 +/- 3.21   0.065% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   GLN   30  17.68 +/- 4.04   0.145% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   30  17.78 +/- 3.36   0.198% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   GLN   30  20.19 +/- 4.31   0.155% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   GLN   30  21.68 +/- 3.50   0.079% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 215 (2.73, 2.04, 28.09 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.51, residual support = 158.8:
    * O T HG2   GLN   30 - HB2   GLN   30   2.83 +/- 0.21  94.222% * 94.3327% (1.00  10.0 10.00   5.53 159.23) =  99.696%  kept
          HB3   ASN   28 - HB2   GLN   30   7.84 +/- 0.63   4.852% *  5.5703% (0.92   1.0  1.00   1.28  19.46) =   0.303%  kept
          QE    LYS+ 121 - HB2   GLN   30  18.99 +/- 4.40   0.518% *  0.0648% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   GLN   30  20.27 +/- 4.45   0.408% *  0.0322% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 216 (3.84, 1.89, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.25, residual support = 159.2:
    * O T HA    GLN   30 - HB3   GLN   30   2.97 +/- 0.08  86.410% * 99.5115% (1.00  10.0 10.00   5.25 159.23) =  99.995%  kept
          HB    THR   39 - HB3   GLN   30  10.43 +/- 3.01   7.707% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.002%
        T HD2   PRO   58 - HB3   GLN   30  21.26 +/- 2.98   0.395% *  0.1743% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HB3   GLN   30  17.83 +/- 5.38   0.859% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - HB3   GLN   30  21.74 +/- 3.52   0.525% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB3   GLN   30  10.97 +/- 1.95   2.334% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB3   GLN   30  14.08 +/- 2.52   1.148% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB3   GLN   30  25.53 +/- 3.68   0.206% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB3   GLN   30  18.64 +/- 2.06   0.416% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 217 (2.04, 1.89, 28.09 ppm):
    11 chemical-shift based assignments, quality = 0.971, support = 5.07, residual support = 159.2:
    * O T HB2   GLN   30 - HB3   GLN   30   1.75 +/- 0.00  74.570% * 53.1733% (1.00  10.0 10.00   5.02 159.23) =  78.037%  kept
      O   HG3   GLN   30 - HB3   GLN   30   2.61 +/- 0.24  24.194% * 46.1240% (0.87  10.0  1.00   5.26 159.23) =  21.962%  kept
        T HB2   ARG+  54 - HB3   GLN   30  24.50 +/- 4.26   0.048% *  0.4612% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   30  16.14 +/- 4.78   0.297% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   GLN   30  11.63 +/- 2.05   0.331% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   GLN   30  12.56 +/- 1.90   0.292% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   30  22.51 +/- 3.24   0.047% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLN   30  20.08 +/- 3.17   0.078% *  0.0301% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLN   30  22.15 +/- 2.38   0.041% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   GLN   30  18.36 +/- 2.02   0.076% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   30  26.54 +/- 2.74   0.025% *  0.0118% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 218 (1.89, 1.89, 28.09 ppm):
    1 diagonal assignment:
    *     HB3   GLN   30 - HB3   GLN   30  (1.00)  kept
 
    Peak 219 (2.73, 1.89, 28.09 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.99, residual support = 158.7:
    * O T HG2   GLN   30 - HB3   GLN   30   2.63 +/- 0.28  93.411% * 93.7268% (1.00  10.0 10.00   6.01 159.23) =  99.612%  kept
          HB3   ASN   28 - HB3   GLN   30   6.90 +/- 0.38   5.519% *  6.1769% (0.92   1.0  1.00   1.43  19.46) =   0.388%  kept
          QE    LYS+ 121 - HB3   GLN   30  19.21 +/- 4.61   0.594% *  0.0644% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB3   GLN   30  20.47 +/- 4.72   0.475% *  0.0320% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 220 (3.84, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 159.2:
    * O T HA    GLN   30 - HG2   GLN   30   2.82 +/- 0.62  88.024% * 99.6678% (1.00  10.0 10.00   5.75 159.23) =  99.996%  kept
          HB    THR   39 - HG2   GLN   30  11.08 +/- 3.50   5.500% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          HB3   SER   82 - HG2   GLN   30  18.83 +/- 5.34   1.116% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - HG2   GLN   30  12.56 +/- 2.52   1.972% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - HG2   GLN   30  22.54 +/- 3.72   0.409% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG2   GLN   30  11.15 +/- 2.52   1.914% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG2   GLN   30  26.40 +/- 3.95   0.197% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG2   GLN   30  20.14 +/- 2.50   0.533% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLN   30  22.04 +/- 3.08   0.334% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 221 (2.04, 2.73, 33.78 ppm):
    11 chemical-shift based assignments, quality = 0.897, support = 6.33, residual support = 159.2:
      O T HG3   GLN   30 - HG2   GLN   30   1.75 +/- 0.00  78.754% * 46.1414% (0.87  10.0 10.00   6.56 159.23) =  77.502%  kept
    * O T HB2   GLN   30 - HG2   GLN   30   2.83 +/- 0.21  19.830% * 53.1933% (1.00  10.0 10.00   5.53 159.23) =  22.497%  kept
        T HB2   PRO   93 - HG2   GLN   30  21.39 +/- 3.50   0.068% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   GLN   30  17.29 +/- 4.59   0.196% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLN   30  10.73 +/- 2.06   0.512% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLN   30  11.61 +/- 1.77   0.410% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   GLN   30  27.93 +/- 2.98   0.023% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLN   30  23.38 +/- 3.72   0.050% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLN   30  25.27 +/- 4.33   0.045% *  0.0461% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLN   30  18.68 +/- 2.32   0.078% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLN   30  23.75 +/- 2.30   0.034% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 222 (1.89, 2.73, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.01, residual support = 159.2:
    * O T HB3   GLN   30 - HG2   GLN   30   2.63 +/- 0.28  80.619% * 99.4599% (1.00  10.0 10.00   6.01 159.23) =  99.993%  kept
          QB    LYS+  33 - HG2   GLN   30   5.59 +/- 1.29  16.105% *  0.0248% (0.25   1.0  1.00   0.02   0.31) =   0.005%
          HB3   LYS+  38 - HG2   GLN   30  14.36 +/- 2.05   0.762% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   58 - HG2   GLN   30  21.21 +/- 2.84   0.193% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   GLN   30  23.04 +/- 2.99   0.147% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   GLN   30  23.10 +/- 3.51   0.168% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   GLN   30  18.06 +/- 4.19   0.362% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   GLN   30  18.61 +/- 2.03   0.273% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   GLN   30  19.11 +/- 4.39   0.506% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   GLN   30  19.54 +/- 3.37   0.454% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   GLN   30  22.67 +/- 4.13   0.224% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   GLN   30  25.41 +/- 4.61   0.185% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 223 (2.73, 2.73, 33.78 ppm):
    1 diagonal assignment:
    *     HG2   GLN   30 - HG2   GLN   30  (1.00)  kept
 
    Peak 224 (3.61, 3.61, 58.19 ppm):
    1 diagonal assignment:
    *     HA    LEU   31 - HA    LEU   31  (1.00)  kept
 
    Peak 225 (1.33, 3.61, 58.19 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.2:
    * O T HB2   LEU   31 - HA    LEU   31   3.01 +/- 0.01  76.156% * 99.2507% (1.00  10.0 10.00   6.00 231.30) =  99.977%  kept
          HG2   LYS+  99 - HA    LEU   31  13.20 +/- 5.77   6.714% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.007%
          HG2   LYS+  38 - HA    LEU   31   9.29 +/- 2.14   5.764% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.005%
          HB3   ASP-  44 - HA    LEU   31  14.57 +/- 2.49   3.823% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   98 - HA    LEU   31  12.00 +/- 4.81   3.469% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - HA    LEU   31  15.38 +/- 2.79   1.077% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    LEU   31  17.26 +/- 5.02   0.731% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    LEU   31  15.82 +/- 3.15   0.752% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   31  17.10 +/- 2.86   0.559% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   31  20.48 +/- 3.61   0.522% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   31  22.33 +/- 4.32   0.295% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   31  26.59 +/- 3.16   0.138% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.04 A, kept.
 
    Peak 226 (1.12, 3.61, 58.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.3:
    * O T HB3   LEU   31 - HA    LEU   31   2.41 +/- 0.06  96.264% * 99.6763% (1.00  10.0 10.00   6.00 231.30) =  99.998%  kept
          QB    ALA   20 - HA    LEU   31  11.07 +/- 1.12   1.112% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HA    LEU   31  10.58 +/- 0.86   1.247% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HA    LEU   31  20.73 +/- 3.51   0.228% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    LEU   31  21.75 +/- 4.97   0.228% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    LEU   31  16.65 +/- 1.94   0.362% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LEU   31  16.49 +/- 2.50   0.455% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    LEU   31  26.21 +/- 4.06   0.103% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 227 (0.79, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.802, support = 5.92, residual support = 227.9:
    * O T HG    LEU   31 - HA    LEU   31   3.08 +/- 0.50  53.079% * 93.8988% (0.80  10.0 10.00   5.99 231.30) =  98.500%  kept
          QD2   LEU   73 - HA    LEU   31   6.45 +/- 2.43  12.704% *  5.8886% (0.92   1.0  1.00   1.09   1.88) =   1.478%  kept
          QG1   VAL   41 - HA    LEU   31   4.97 +/- 2.35  33.291% *  0.0292% (0.25   1.0  1.00   0.02   0.02) =   0.019%
          QD1   ILE   56 - HA    LEU   31  18.44 +/- 3.20   0.665% *  0.1170% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - HA    LEU   31  21.09 +/- 5.01   0.261% *  0.0664% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.03 A, kept.
 
    Peak 228 (0.00, 3.61, 58.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 231.3:
    *   T QD1   LEU   31 - HA    LEU   31   3.65 +/- 0.16 100.000% *100.0000% (1.00 10.00   4.85 231.30) = 100.000%  kept
    Distance limit 3.43 A violated in 0 structures by 0.23 A, kept.
 
    Peak 229 (0.07, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 231.3:
    *   T QD2   LEU   31 - HA    LEU   31   2.52 +/- 0.69  91.048% * 99.6345% (1.00 10.00   5.74 231.30) =  99.983%  kept
        T QG2   VAL   43 - HA    LEU   31   8.86 +/- 2.40   5.466% *  0.2484% (0.25 10.00   0.02   0.02) =   0.015%
          QG2   VAL   83 - HA    LEU   31  12.90 +/- 4.09   2.167% *  0.0723% (0.73  1.00   0.02   0.02) =   0.002%
          QD1   ILE   89 - HA    LEU   31  13.18 +/- 2.39   1.318% *  0.0447% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 2.95 A violated in 0 structures by 0.16 A, kept.
 
    Peak 230 (3.61, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 231.3:
    * O T HA    LEU   31 - HB2   LEU   31   3.01 +/- 0.01 100.000% *100.0000% (1.00  10.0 10.00   6.00 231.30) = 100.000%  kept
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 231 (1.33, 1.33, 40.94 ppm):
    1 diagonal assignment:
    *     HB2   LEU   31 - HB2   LEU   31  (1.00)  kept
 
    Peak 232 (1.12, 1.33, 40.94 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.3:
    * O T HB3   LEU   31 - HB2   LEU   31   1.75 +/- 0.00  98.573% * 99.6763% (1.00  10.0 10.00   6.00 231.30) =  99.999%  kept
          QG1   VAL   24 - HB2   LEU   31   9.54 +/- 0.56   0.636% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LEU   31  12.25 +/- 0.75   0.301% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LEU   31  22.23 +/- 3.88   0.079% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   LEU   31  27.26 +/- 4.57   0.043% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   LEU   31  17.35 +/- 2.27   0.137% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HB2   LEU   31  17.13 +/- 2.74   0.165% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB2   LEU   31  23.25 +/- 5.28   0.065% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 233 (0.79, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.8, support = 6.0, residual support = 231.2:
    * O T HG    LEU   31 - HB2   LEU   31   2.59 +/- 0.30  85.584% * 99.0343% (0.80  10.0 10.00   6.00 231.30) =  99.948%  kept
          QD2   LEU   73 - HB2   LEU   31   7.75 +/- 2.32   5.450% *  0.7415% (0.92   1.0  1.00   0.13   1.88) =   0.048%
          QG1   VAL   41 - HB2   LEU   31   6.92 +/- 2.18   8.276% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   56 - HB2   LEU   31  19.48 +/- 3.70   0.449% *  0.1234% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HB2   LEU   31  22.54 +/- 5.35   0.241% *  0.0700% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 234 (0.00, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.86, residual support = 231.3:
    * O T QD1   LEU   31 - HB2   LEU   31   2.57 +/- 0.18 100.000% *100.0000% (1.00  10.0 10.00   4.86 231.30) = 100.000%  kept
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 235 (0.07, 1.33, 40.94 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 231.2:
    * O T QD2   LEU   31 - HB2   LEU   31   2.81 +/- 0.49  88.651% * 99.6345% (1.00  10.0 10.00   5.75 231.30) =  99.979%  kept
        T QG2   VAL   43 - HB2   LEU   31   9.38 +/- 2.79   6.122% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.017%
          QG2   VAL   83 - HB2   LEU   31  12.84 +/- 4.68   3.627% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   89 - HB2   LEU   31  13.34 +/- 2.81   1.600% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 236 (3.61, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 231.3:
    * O T HA    LEU   31 - HB3   LEU   31   2.41 +/- 0.06 100.000% *100.0000% (1.00  10.0 10.00   6.00 231.30) = 100.000%  kept
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 237 (1.33, 1.12, 40.94 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.3:
    * O T HB2   LEU   31 - HB3   LEU   31   1.75 +/- 0.00  86.065% * 99.2507% (1.00  10.0 10.00   6.00 231.30) =  99.988%  kept
          HG2   LYS+  99 - HB3   LEU   31  13.10 +/- 6.18   6.089% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.006%
          HG2   LYS+  38 - HB3   LEU   31   9.81 +/- 3.00   3.792% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HB3   LEU   31  15.01 +/- 2.87   1.683% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HB3   LEU   31  11.53 +/- 5.52   1.391% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HB3   LEU   31  16.35 +/- 3.11   0.211% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   31  17.54 +/- 5.31   0.171% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   31  20.47 +/- 4.07   0.185% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   31  15.66 +/- 3.41   0.168% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   31  16.42 +/- 3.46   0.151% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   31  26.31 +/- 3.77   0.037% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   31  22.98 +/- 4.34   0.055% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 238 (1.12, 1.12, 40.94 ppm):
    1 diagonal assignment:
    *     HB3   LEU   31 - HB3   LEU   31  (1.00)  kept
 
    Peak 239 (0.79, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.95, residual support = 229.6:
    * O T HG    LEU   31 - HB3   LEU   31   2.89 +/- 0.16  69.633% * 92.2937% (0.80  10.0 10.00   6.00 231.30) =  99.273%  kept
        T QD2   LEU   73 - HB3   LEU   31   7.46 +/- 2.25   6.681% *  6.9100% (0.92   1.0 10.00   0.13   1.88) =   0.713%  kept
          QG1   VAL   41 - HB3   LEU   31   5.86 +/- 2.21  22.547% *  0.0287% (0.25   1.0  1.00   0.02   0.02) =   0.010%
        T HG3   LYS+ 121 - HB3   LEU   31  21.52 +/- 5.43   0.277% *  0.6526% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          QD1   ILE   56 - HB3   LEU   31  18.75 +/- 3.68   0.863% *  0.1150% (1.00   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 240 (0.00, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.86, residual support = 231.3:
    * O T QD1   LEU   31 - HB3   LEU   31   2.15 +/- 0.18 100.000% *100.0000% (1.00  10.0 10.00   4.86 231.30) = 100.000%  kept
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 241 (0.07, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 231.3:
    * O T QD2   LEU   31 - HB3   LEU   31   2.77 +/- 0.31  90.152% * 99.6345% (1.00  10.0 10.00   5.75 231.30) =  99.982%  kept
        T QG2   VAL   43 - HB3   LEU   31   8.86 +/- 2.83   5.571% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.015%
          QG2   VAL   83 - HB3   LEU   31  12.80 +/- 4.60   2.774% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   89 - HB3   LEU   31  12.91 +/- 2.82   1.504% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 242 (3.61, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.99, residual support = 231.3:
    * O T HA    LEU   31 - HG    LEU   31   3.08 +/- 0.50 100.000% *100.0000% (0.80  10.0 10.00   5.99 231.30) = 100.000%  kept
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 243 (1.33, 0.79, 27.16 ppm):
    12 chemical-shift based assignments, quality = 0.801, support = 6.0, residual support = 231.3:
    * O T HB2   LEU   31 - HG    LEU   31   2.59 +/- 0.30  84.595% * 99.2507% (0.80  10.0 10.00   6.00 231.30) =  99.987%  kept
          HG2   LYS+  99 - HG    LEU   31  14.33 +/- 5.10   4.481% *  0.0829% (0.67   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   98 - HG    LEU   31  11.97 +/- 4.69   3.338% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  38 - HG    LEU   31  11.77 +/- 2.87   2.383% *  0.0721% (0.58   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - HG    LEU   31  15.39 +/- 3.29   1.144% *  0.0890% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HG    LEU   31  15.70 +/- 5.54   1.016% *  0.0958% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HG    LEU   31  13.78 +/- 2.43   1.093% *  0.0795% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HG    LEU   31  14.44 +/- 3.24   0.729% *  0.0408% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   31  15.84 +/- 3.13   0.498% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   31  22.73 +/- 4.21   0.226% *  0.0642% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   31  19.35 +/- 3.63   0.389% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   31  25.71 +/- 3.32   0.109% *  0.0984% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (1.12, 0.79, 27.16 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 6.0, residual support = 231.3:
    * O T HB3   LEU   31 - HG    LEU   31   2.89 +/- 0.16  91.271% * 99.4283% (0.80  10.0 10.00   6.00 231.30) =  99.995%  kept
          QG1   VAL   24 - HG    LEU   31   8.47 +/- 0.90   4.469% *  0.0446% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   20 - HG    LEU   31  10.79 +/- 0.71   1.916% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 121 - HG    LEU   31  22.01 +/- 4.80   0.314% *  0.2764% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HG    LEU   31  20.49 +/- 3.78   0.387% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG    LEU   31  25.46 +/- 4.48   0.217% *  0.0563% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HG    LEU   31  16.16 +/- 2.08   0.635% *  0.0174% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG    LEU   31  15.89 +/- 2.51   0.792% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 245 (0.79, 0.79, 27.16 ppm):
    1 diagonal assignment:
    *     HG    LEU   31 - HG    LEU   31  (0.64)  kept
 
    Peak 246 (0.00, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.98, residual support = 231.3:
    * O T QD1   LEU   31 - HG    LEU   31   2.10 +/- 0.02 100.000% *100.0000% (0.80  10.0 10.00   4.98 231.30) = 100.000%  kept
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 247 (0.07, 0.79, 27.16 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.88, residual support = 231.3:
    * O T QD2   LEU   31 - HG    LEU   31   2.11 +/- 0.02  92.332% * 99.6345% (0.80  10.0 10.00   5.88 231.30) =  99.985%  kept
        T QG2   VAL   43 - HG    LEU   31   7.95 +/- 2.95   4.653% *  0.2484% (0.20   1.0 10.00   0.02   0.02) =   0.013%
          QG2   VAL   83 - HG    LEU   31  11.54 +/- 4.63   2.319% *  0.0723% (0.58   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   89 - HG    LEU   31  12.06 +/- 2.55   0.696% *  0.0447% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 248 (3.61, 0.00, 23.44 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 231.3:
    *   T HA    LEU   31 - QD1   LEU   31   3.65 +/- 0.16 100.000% *100.0000% (1.00 10.00   4.85 231.30) = 100.000%  kept
    Distance limit 3.84 A violated in 0 structures by 0.01 A, kept.
 
    Peak 249 (1.33, 0.00, 23.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 231.2:
    * O T HB2   LEU   31 - QD1   LEU   31   2.57 +/- 0.18  62.686% * 99.2507% (1.00  10.0 10.00   4.86 231.30) =  99.960%  kept
          HG    LEU   98 - QD1   LEU   31   9.05 +/- 4.72  13.625% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.011%
          HG2   LYS+  99 - QD1   LEU   31  11.38 +/- 4.65   7.166% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.010%
          HB3   ASP-  44 - QD1   LEU   31  11.28 +/- 2.30   5.489% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.007%
          HG2   LYS+  38 - QD1   LEU   31   9.97 +/- 2.70   4.910% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.006%
          HB3   LEU   80 - QD1   LEU   31  13.20 +/- 4.76   1.487% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - QD1   LEU   31  12.89 +/- 2.92   1.291% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   84 - QD1   LEU   31  11.73 +/- 2.98   1.125% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QD1   LEU   31  12.44 +/- 3.11   1.017% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QD1   LEU   31  15.62 +/- 3.16   0.780% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   31  20.62 +/- 3.17   0.191% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   31  18.94 +/- 3.54   0.232% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 250 (1.12, 0.00, 23.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 231.3:
    * O T HB3   LEU   31 - QD1   LEU   31   2.15 +/- 0.18  93.315% * 99.6763% (1.00  10.0 10.00   4.86 231.30) =  99.997%  kept
          QG1   VAL   24 - QD1   LEU   31   7.16 +/- 0.95   3.670% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   20 - QD1   LEU   31  10.04 +/- 0.66   1.023% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - QD1   LEU   31  16.83 +/- 3.44   0.358% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   LEU   31  20.69 +/- 4.03   0.174% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD1   LEU   31  12.78 +/- 2.01   0.544% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   LEU   31  12.57 +/- 2.32   0.660% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   LEU   31  18.07 +/- 4.38   0.256% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 251 (0.79, 0.00, 23.44 ppm):
    5 chemical-shift based assignments, quality = 0.8, support = 4.97, residual support = 231.1:
    * O T HG    LEU   31 - QD1   LEU   31   2.10 +/- 0.02  81.509% * 99.0343% (0.80  10.0 10.00   4.98 231.30) =  99.927%  kept
          QD2   LEU   73 - QD1   LEU   31   5.64 +/- 1.68   7.318% *  0.7415% (0.92   1.0  1.00   0.13   1.88) =   0.067%
          QG1   VAL   41 - QD1   LEU   31   5.49 +/- 1.82  10.029% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.004%
          QD1   ILE   56 - QD1   LEU   31  14.63 +/- 3.11   0.896% *  0.1234% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - QD1   LEU   31  17.47 +/- 4.43   0.249% *  0.0700% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 252 (0.00, 0.00, 23.44 ppm):
    1 diagonal assignment:
    *     QD1   LEU   31 - QD1   LEU   31  (1.00)  kept
 
    Peak 253 (0.07, 0.00, 23.44 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 231.2:
    * O T QD2   LEU   31 - QD1   LEU   31   2.03 +/- 0.07  79.717% * 99.6345% (1.00  10.0 10.00   4.62 231.30) =  99.952%  kept
        T QG2   VAL   43 - QD1   LEU   31   6.24 +/- 2.81  13.615% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.043%
          QG2   VAL   83 - QD1   LEU   31   9.37 +/- 4.25   5.341% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.005%
          QD1   ILE   89 - QD1   LEU   31   9.49 +/- 2.51   1.327% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 254 (3.61, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 231.3:
    *   T HA    LEU   31 - QD2   LEU   31   2.52 +/- 0.69  94.330% * 99.9324% (1.00 10.00   5.74 231.30) =  99.996%  kept
        T HA    LEU   31 - QG2   VAL   43   8.86 +/- 2.40   5.670% *  0.0676% (0.07 10.00   0.02   0.02) =   0.004%
    Distance limit 3.06 A violated in 0 structures by 0.13 A, kept.
 
    Peak 255 (1.33, 0.07, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.998, support = 5.74, residual support = 230.8:
    * O T HB2   LEU   31 - QD2   LEU   31   2.81 +/- 0.49  35.413% * 97.2316% (1.00  10.0 10.00   5.75 231.30) =  99.778%  kept
          HB3   ASP-  44 - QG2   VAL   43   6.16 +/- 0.60   4.324% *  0.9146% (0.05   1.0  1.00   3.47  16.56) =   0.115%  kept
          HB3   ASP-  44 - QD2   LEU   31  10.93 +/- 2.03   2.865% *  0.7276% (0.80   1.0  1.00   0.19   0.02) =   0.060%
          HG    LEU   98 - QD2   LEU   31   9.29 +/- 3.80   5.748% *  0.0512% (0.53   1.0  1.00   0.02   0.02) =   0.009%
        T QB    ALA   84 - QD2   LEU   31  11.69 +/- 2.57   0.724% *  0.3997% (0.41   1.0 10.00   0.02   0.02) =   0.008%
          HG2   LYS+  38 - QD2   LEU   31   9.68 +/- 2.30   4.015% *  0.0706% (0.73   1.0  1.00   0.02   0.02) =   0.008%
          HG2   LYS+  99 - QD2   LEU   31  11.31 +/- 4.31   2.320% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.005%
        T HB2   LEU   31 - QG2   VAL   43   9.38 +/- 2.79   2.136% *  0.0658% (0.07   1.0 10.00   0.02   0.02) =   0.004%
          HB2   LEU   63 - QD2   LEU   31  12.17 +/- 2.79   1.333% *  0.0872% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   80 - QD2   LEU   31  12.68 +/- 4.38   0.958% *  0.0938% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   80 - QG2   VAL   43   9.30 +/- 4.07   7.191% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QG2   VAL   43   9.68 +/- 2.10   5.885% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QG2   VAL   43   7.53 +/- 2.95   8.268% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QD2   LEU   31  12.90 +/- 2.43   0.635% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QG2   VAL   43   9.75 +/- 2.26   8.299% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QD2   LEU   31  15.68 +/- 2.78   0.402% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QG2   VAL   43   7.73 +/- 2.21   5.181% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   31  20.95 +/- 2.61   0.135% *  0.0964% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   31  18.56 +/- 3.54   0.183% *  0.0629% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   43   8.83 +/- 2.03   2.317% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   VAL   43  12.21 +/- 2.61   0.741% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QG2   VAL   43  15.36 +/- 2.22   0.358% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   VAL   43  14.38 +/- 1.31   0.317% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   VAL   43  17.27 +/- 2.93   0.251% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 256 (1.12, 0.07, 21.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 231.3:
    * O T HB3   LEU   31 - QD2   LEU   31   2.77 +/- 0.31  56.619% * 99.5873% (1.00  10.0 10.00   5.75 231.30) =  99.986%  kept
          QG1   VAL   24 - QD2   LEU   31   6.89 +/- 1.07   5.436% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.004%
        T HB3   LEU   31 - QG2   VAL   43   8.86 +/- 2.83   3.566% *  0.0674% (0.07   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   20 - QD2   LEU   31   8.52 +/- 0.90   2.122% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  119 - QD2   LEU   31  16.51 +/- 2.98   0.348% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - QG2   VAL   43   8.55 +/- 2.94   7.576% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   43   8.90 +/- 2.05   4.517% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   43   8.15 +/- 2.30  13.386% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD2   LEU   31  13.01 +/- 1.47   0.647% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   31  12.74 +/- 1.93   0.833% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD2   LEU   31  20.66 +/- 3.44   0.181% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD2   LEU   31  17.81 +/- 4.33   0.361% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   43  12.85 +/- 3.23   0.863% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QG2   VAL   43   8.73 +/- 1.94   2.569% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   VAL   43  15.42 +/- 2.99   0.522% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   43  15.35 +/- 4.05   0.454% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 257 (0.79, 0.07, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.799, support = 5.86, residual support = 230.3:
    * O T HG    LEU   31 - QD2   LEU   31   2.11 +/- 0.02  52.642% * 98.1446% (0.80  10.0 10.00   5.88 231.30) =  99.550%  kept
          QG1   VAL   41 - QD2   LEU   31   4.73 +/- 2.13  20.584% *  0.5603% (0.25   1.0  1.00   0.37   0.02) =   0.222%  kept
          QD2   LEU   73 - QD2   LEU   31   4.50 +/- 1.85  12.922% *  0.7348% (0.92   1.0  1.00   0.13   1.88) =   0.183%  kept
          QD2   LEU   73 - QG2   VAL   43   5.43 +/- 1.75   7.349% *  0.2871% (0.06   1.0  1.00   0.75   2.38) =   0.041%
        T HG    LEU   31 - QG2   VAL   43   7.95 +/- 2.95   2.119% *  0.0664% (0.05   1.0 10.00   0.02   0.02) =   0.003%
          QD1   ILE   56 - QD2   LEU   31  14.52 +/- 2.74   0.308% *  0.1223% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - QD2   LEU   31  17.24 +/- 4.37   0.145% *  0.0694% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  10.80 +/- 2.44   0.992% *  0.0083% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - QG2   VAL   43   6.40 +/- 1.21   2.431% *  0.0021% (0.02   1.0  1.00   0.02   1.82) =   0.000%
          HG3   LYS+ 121 - QG2   VAL   43  14.69 +/- 4.10   0.507% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 258 (0.00, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 231.3:
    * O T QD1   LEU   31 - QD2   LEU   31   2.03 +/- 0.07  85.430% * 99.9324% (1.00  10.0 10.00   4.62 231.30) =  99.988%  kept
        T QD1   LEU   31 - QG2   VAL   43   6.24 +/- 2.81  14.570% *  0.0676% (0.07   1.0 10.00   0.02   0.02) =   0.012%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 259 (0.07, 0.07, 21.81 ppm):
    2 diagonal assignments:
    *     QD2   LEU   31 - QD2   LEU   31  (1.00)  kept
          QG2   VAL   43 - QG2   VAL   43  (0.02)  kept
 
    Peak 260 (4.00, 4.00, 59.42 ppm):
    3 diagonal assignments:
          HA    LYS+  33 - HA    LYS+  33  (0.54)  kept
    *     HA    GLN   32 - HA    GLN   32  (0.47)  kept
          HA    GLU-  29 - HA    GLU-  29  (0.40)  kept
 
    Peak 261 (2.11, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.69, support = 3.26, residual support = 38.5:
    * O T QB    GLN   32 - HA    GLN   32   2.46 +/- 0.07  46.434% * 48.6885% (0.69  10.0 10.00   3.00  44.09) =  80.695%  kept
        T QB    GLN   32 - HA    LYS+  33   4.05 +/- 0.14  10.595% * 50.1038% (0.71   1.0 10.00   4.44  15.25) =  18.948%  kept
        T QB    GLN   32 - HA    GLU-  29   3.13 +/- 0.72  30.050% *  0.3169% (0.45   1.0 10.00   0.02   0.02) =   0.340%  kept
          HG3   GLU- 100 - HA    GLN   32  14.24 +/- 7.30   7.615% *  0.0390% (0.55   1.0  1.00   0.02   0.02) =   0.011%
          HG3   GLU- 100 - HA    GLU-  29  16.96 +/- 6.27   1.399% *  0.0254% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HA    LYS+  33  15.22 +/- 6.95   0.824% *  0.0401% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - HA    GLU-  29  10.84 +/- 0.36   0.550% *  0.0314% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - HA    GLN   32  14.43 +/- 0.73   0.235% *  0.0483% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLN   32  30.70 +/- 5.03   0.111% *  0.0964% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    LYS+  33  16.39 +/- 0.52   0.159% *  0.0497% (0.70   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLU-  29  29.98 +/- 5.21   0.124% *  0.0627% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLN   32  26.69 +/- 4.25   0.078% *  0.0964% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLN   32  20.90 +/- 3.31   0.144% *  0.0449% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    LYS+  33  19.49 +/- 3.51   0.135% *  0.0463% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLU-  29  26.31 +/- 4.16   0.090% *  0.0627% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    LYS+  33  31.75 +/- 4.25   0.049% *  0.0992% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLN   32  17.24 +/- 4.38   0.637% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    LYS+  33  27.12 +/- 3.07   0.047% *  0.0992% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    LYS+  33  14.18 +/- 4.21   0.427% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  29  22.36 +/- 3.20   0.087% *  0.0293% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLU-  29  16.82 +/- 3.71   0.211% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 262 (2.39, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.686, support = 3.18, residual support = 39.2:
    * O T QG    GLN   32 - HA    GLN   32   2.22 +/- 0.15  67.562% * 46.3487% (0.69  10.0 10.00   3.00  44.09) =  83.954%  kept
        T QG    GLN   32 - HA    LYS+  33   4.54 +/- 0.69  11.461% * 47.6960% (0.71   1.0 10.00   4.51  15.25) =  14.656%  kept
        T QG    GLN   32 - HA    GLU-  29   4.76 +/- 0.82   9.823% *  5.2084% (0.45   1.0 10.00   0.35   0.02) =   1.372%  kept
        T HB2   GLU- 100 - HA    GLN   32  14.52 +/- 7.17   2.387% *  0.1289% (0.19   1.0 10.00   0.02   0.02) =   0.008%
        T HB2   GLU- 100 - HA    GLU-  29  16.94 +/- 6.42   2.808% *  0.0839% (0.12   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   GLU- 100 - HA    LYS+  33  15.71 +/- 6.62   0.536% *  0.1326% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   45 - HA    GLN   32  21.16 +/- 4.44   3.707% *  0.0103% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    LYS+  33  19.40 +/- 3.80   0.172% *  0.0414% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN   32  19.02 +/- 3.42   0.135% *  0.0402% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU-  29  16.75 +/- 3.42   0.204% *  0.0262% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  22.41 +/- 3.21   0.142% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    LYS+  33  29.53 +/- 3.18   0.037% *  0.0944% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  22.51 +/- 3.47   0.327% *  0.0106% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    GLU-  29  29.14 +/- 3.84   0.043% *  0.0597% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  24.00 +/- 2.42   0.072% *  0.0289% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  20.64 +/- 3.38   0.273% *  0.0067% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  23.15 +/- 2.60   0.079% *  0.0183% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  26.44 +/- 4.65   0.067% *  0.0103% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  27.22 +/- 4.23   0.049% *  0.0106% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  26.47 +/- 4.73   0.067% *  0.0067% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLN   32  28.68 +/- 3.71   0.048% *  0.0092% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 263 (4.00, 2.11, 27.95 ppm):
    10 chemical-shift based assignments, quality = 0.704, support = 3.27, residual support = 38.0:
    * O T HA    GLN   32 - QB    GLN   32   2.46 +/- 0.07  51.826% * 46.7473% (0.69  10.0 10.00   3.00  44.09) =  79.272%  kept
        T HA    LYS+  33 - QB    GLN   32   4.05 +/- 0.14  11.785% * 52.0093% (0.76   1.0 10.00   4.44  15.25) =  20.054%  kept
        T HA    GLU-  29 - QB    GLN   32   3.13 +/- 0.72  33.289% *  0.6103% (0.90   1.0 10.00   0.02   0.02) =   0.665%  kept
        T HD2   PRO   52 - QB    GLN   32  26.52 +/- 4.80   0.375% *  0.3313% (0.49   1.0 10.00   0.02   0.02) =   0.004%
          HA    SER   48 - QB    GLN   32  23.10 +/- 4.96   1.077% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   18 - QB    GLN   32  12.67 +/- 2.54   0.761% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   88 - QB    GLN   32  21.05 +/- 4.28   0.313% *  0.0494% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QB    GLN   32  19.56 +/- 6.33   0.216% *  0.0657% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QB    GLN   32  14.48 +/- 1.80   0.286% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    GLN   32  24.78 +/- 3.00   0.071% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 264 (2.11, 2.11, 27.95 ppm):
    1 diagonal assignment:
    *     QB    GLN   32 - QB    GLN   32  (1.00)  kept
 
    Peak 265 (2.39, 2.11, 27.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.2, residual support = 44.1:
    * O T QG    GLN   32 - QB    GLN   32   2.11 +/- 0.02  92.355% * 99.7611% (1.00  10.0 10.00   3.20  44.09) =  99.998%  kept
          HB2   GLU- 100 - QB    GLN   32  13.89 +/- 6.04   5.054% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   45 - QB    GLN   32  19.31 +/- 3.73   2.011% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QB    GLN   32  16.50 +/- 3.23   0.262% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLN   32  20.92 +/- 2.57   0.156% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLN   32  24.22 +/- 4.13   0.097% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QB    GLN   32  26.44 +/- 3.26   0.065% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 266 (4.00, 2.39, 33.78 ppm):
    10 chemical-shift based assignments, quality = 0.704, support = 3.16, residual support = 38.4:
    * O T HA    GLN   32 - QG    GLN   32   2.22 +/- 0.15  73.956% * 42.5344% (0.69  10.0 10.00   3.00  44.09) =  81.804%  kept
        T HA    LYS+  33 - QG    GLN   32   4.54 +/- 0.69  12.609% * 47.3222% (0.76   1.0 10.00   4.51  15.25) =  15.517%  kept
        T HA    GLU-  29 - QG    GLN   32   4.76 +/- 0.82  10.731% *  9.5888% (0.90   1.0 10.00   0.35   0.02) =   2.676%  kept
          HA    VAL   18 - QG    GLN   32  13.96 +/- 2.88   0.760% *  0.0572% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - QG    GLN   32  24.38 +/- 5.12   0.621% *  0.0572% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLN  116 - QG    GLN   32  25.57 +/- 3.24   0.073% *  0.2776% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   88 - QG    GLN   32  21.95 +/- 5.04   0.443% *  0.0450% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QG    GLN   32  20.79 +/- 6.58   0.178% *  0.0598% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG    GLN   32  27.62 +/- 5.03   0.340% *  0.0301% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    GLN   32  15.10 +/- 1.77   0.290% *  0.0278% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 267 (2.11, 2.39, 33.78 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.2, residual support = 44.1:
    * O T QB    GLN   32 - QG    GLN   32   2.11 +/- 0.02  95.225% * 99.6746% (1.00  10.0 10.00   3.20  44.09) =  99.997%  kept
          HG3   GLU- 100 - QG    GLN   32  14.00 +/- 6.32   3.127% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL   24 - QG    GLN   32  13.66 +/- 1.00   0.379% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLN   32  20.17 +/- 3.13   0.177% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG    GLN   32  15.66 +/- 4.13   0.772% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLN   32  28.82 +/- 5.05   0.222% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLN   32  25.36 +/- 3.94   0.099% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 268 (2.39, 2.39, 33.78 ppm):
    1 diagonal assignment:
    *     QG    GLN   32 - QG    GLN   32  (1.00)  kept
 
    Peak 269 (4.01, 4.01, 59.34 ppm):
    3 diagonal assignments:
    *     HA    LYS+  33 - HA    LYS+  33  (1.00)  kept
          HA    GLU-  29 - HA    GLU-  29  (0.27)  kept
          HA    GLN   32 - HA    GLN   32  (0.07)  kept
 
    Peak 270 (1.86, 4.01, 59.34 ppm):
    42 chemical-shift based assignments, quality = 0.987, support = 6.46, residual support = 151.0:
    * O T QB    LYS+  33 - HA    LYS+  33   2.18 +/- 0.03  73.218% * 77.0446% (1.00  10.0 10.00   6.49 153.50) =  98.228%  kept
        T QB    LYS+  33 - HA    GLN   32   5.38 +/- 0.17   4.867% * 19.8137% (0.26   1.0 10.00   4.83  15.25) =   1.679%  kept
        T QB    LYS+  33 - HA    GLU-  29   5.94 +/- 1.36   5.825% *  0.8305% (0.28   1.0 10.00   0.08   0.02) =   0.084%
        T QB    LYS+  81 - HA    LYS+  33  22.61 +/- 5.44   0.242% *  0.7435% (0.97   1.0 10.00   0.02   0.02) =   0.003%
          HB3   GLN   90 - HA    LYS+  33  26.84 +/- 5.42   0.459% *  0.0764% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HA    GLU-  29  19.91 +/- 4.58   0.145% *  0.2076% (0.27   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HA    LYS+  33   7.99 +/- 0.55   1.540% *  0.0192% (0.25   1.0  1.00   0.02   0.31) =   0.001%
          HB3   LYS+  38 - HA    LYS+  33  10.05 +/- 0.72   0.822% *  0.0317% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   32  10.48 +/- 1.76   3.165% *  0.0081% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    GLN   32  21.68 +/- 4.98   0.124% *  0.1912% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  29   5.78 +/- 0.29   3.989% *  0.0054% (0.07   1.0  1.00   0.02  26.75) =   0.000%
          HG3   PRO   68 - HA    LYS+  33  19.59 +/- 3.29   0.173% *  0.0711% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  33  20.17 +/- 4.17   0.117% *  0.0729% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   32   7.66 +/- 0.19   1.694% *  0.0049% (0.06   1.0  1.00   0.02   1.77) =   0.000%
          HB3   ASP- 105 - HA    LYS+  33  21.14 +/- 3.22   0.101% *  0.0755% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  33  20.71 +/- 2.73   0.103% *  0.0729% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  33  31.70 +/- 3.91   0.038% *  0.1921% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   32  25.06 +/- 4.97   0.311% *  0.0196% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU-  29  29.17 +/- 5.89   0.238% *  0.0208% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLU-  29  30.09 +/- 4.77   0.091% *  0.0536% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   32  18.06 +/- 5.14   0.210% *  0.0187% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLN   32  30.69 +/- 4.64   0.077% *  0.0494% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   32  20.76 +/- 3.36   0.203% *  0.0183% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+  33  30.58 +/- 4.78   0.047% *  0.0744% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU-  29  19.56 +/- 4.51   0.160% *  0.0203% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   32  18.89 +/- 3.56   0.169% *  0.0187% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  33  27.52 +/- 3.89   0.067% *  0.0436% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   32  19.58 +/- 3.72   0.145% *  0.0194% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLU-  29  14.70 +/- 1.83   0.318% *  0.0088% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU-  29  24.30 +/- 4.39   0.120% *  0.0213% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU-  29  21.16 +/- 3.48   0.116% *  0.0211% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU-  29  19.75 +/- 2.83   0.116% *  0.0203% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU-  29  22.27 +/- 3.10   0.104% *  0.0199% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   32  26.84 +/- 4.75   0.182% *  0.0112% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU-  29  26.76 +/- 4.58   0.156% *  0.0122% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   32  30.04 +/- 5.25   0.076% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  33  27.70 +/- 4.20   0.076% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  33  27.92 +/- 4.05   0.044% *  0.0192% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   32  26.22 +/- 4.78   0.160% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  29  25.54 +/- 4.20   0.106% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLU-  29  28.48 +/- 4.24   0.042% *  0.0054% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLN   32  27.78 +/- 4.03   0.043% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 272 (1.38, 4.01, 59.34 ppm):
    45 chemical-shift based assignments, quality = 0.956, support = 6.15, residual support = 145.3:
    * O T HG3   LYS+  33 - HA    LYS+  33   3.43 +/- 0.23  49.074% * 75.8469% (1.00  10.0 10.00   6.28 153.50) =  94.090%  kept
        T HG3   LYS+  33 - HA    GLN   32   5.89 +/- 0.71  11.488% * 19.5057% (0.26   1.0 10.00   4.18  15.25) =   5.665%  kept
        T HG3   LYS+  33 - HA    GLU-  29   6.72 +/- 1.11   9.834% *  0.8176% (0.28   1.0 10.00   0.08   0.02) =   0.203%  kept
        T HG3   LYS+ 102 - HA    LYS+  33  20.06 +/- 5.90   0.365% *  0.7175% (0.95   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+  65 - HA    LYS+  33  20.96 +/- 2.81   0.278% *  0.7518% (0.99   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+ 102 - HA    GLN   32  18.05 +/- 6.80   0.829% *  0.1845% (0.24   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 106 - HA    LYS+  33  21.41 +/- 2.61   0.235% *  0.6073% (0.80   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   12 - HA    LYS+  33  13.38 +/- 3.66   1.820% *  0.0607% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 102 - HA    GLU-  29  20.12 +/- 5.66   0.480% *  0.2003% (0.26   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - HA    GLU-  29  20.85 +/- 3.70   0.422% *  0.2099% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - HA    LYS+  33  13.68 +/- 2.56   1.029% *  0.0732% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - HA    GLN   32  21.55 +/- 3.44   0.332% *  0.1933% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - HA    GLN   32  19.47 +/- 3.45   0.365% *  0.1562% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    LYS+  33  14.92 +/- 1.35   0.690% *  0.0752% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - HA    GLU-  29  20.47 +/- 2.77   0.280% *  0.1696% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    LYS+  33  19.70 +/- 4.34   2.399% *  0.0169% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    LYS+  33  14.57 +/- 3.71   0.921% *  0.0399% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    GLU-  29  12.00 +/- 2.43   1.531% *  0.0204% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    GLN   32  13.07 +/- 4.52   1.921% *  0.0103% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLN   32  13.54 +/- 2.39   1.024% *  0.0188% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLU-  29  15.84 +/- 3.67   1.133% *  0.0170% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLN   32  14.34 +/- 1.52   0.856% *  0.0193% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLU-  29  14.26 +/- 3.77   1.178% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLN   32  16.26 +/- 3.71   0.801% *  0.0156% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLU-  29  15.63 +/- 1.70   0.591% *  0.0210% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  33  16.52 +/- 2.07   0.565% *  0.0211% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  33  16.31 +/- 4.32   0.698% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  33  30.87 +/- 3.62   0.090% *  0.0680% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  33  25.85 +/- 4.03   0.275% *  0.0189% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLN   32  24.49 +/- 4.74   0.918% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  33  20.93 +/- 5.21   0.373% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LYS+  33  24.27 +/- 5.02   0.224% *  0.0189% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLN   32  14.67 +/- 5.25   1.379% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLU-  29  15.18 +/- 1.59   0.656% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU-  29  16.02 +/- 4.31   1.030% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLN   32  18.57 +/- 3.86   0.686% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLN   32  16.81 +/- 1.86   0.499% *  0.0054% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  29  29.93 +/- 4.59   0.141% *  0.0190% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLN   32  29.79 +/- 4.29   0.140% *  0.0175% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLU-  29  17.44 +/- 3.27   0.517% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  29  24.26 +/- 4.18   0.443% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLU-  29  18.21 +/- 5.05   0.623% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLN   32  23.84 +/- 5.71   0.256% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLN   32  20.16 +/- 5.29   0.409% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLU-  29  25.00 +/- 5.32   0.198% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.09 A, kept.
 
    Peak 273 (1.63, 4.01, 59.34 ppm):
    18 chemical-shift based assignments, quality = 0.949, support = 4.87, residual support = 143.7:
    *   T QD    LYS+  33 - HA    LYS+  33   3.75 +/- 0.73  60.069% * 75.1080% (1.00 10.00   5.03 153.50) =  93.061%  kept
        T QD    LYS+  33 - HA    GLN   32   6.43 +/- 1.20  13.702% * 19.3156% (0.26 10.00   3.34  15.25) =   5.459%  kept
        T QD    LYS+  33 - HA    GLU-  29   6.38 +/- 1.28  16.850% *  4.2379% (0.28 10.00   0.40   0.02) =   1.473%  kept
        T HD3   LYS+ 111 - HA    LYS+  33  33.32 +/- 3.49   0.109% *  0.6736% (0.90 10.00   0.02   0.02) =   0.002%
          QB    ALA   57 - HA    GLU-  29  20.70 +/- 3.85   2.240% *  0.0182% (0.24  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HA    LYS+  33  17.89 +/- 2.92   0.950% *  0.0425% (0.57  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HA    LYS+  33  21.85 +/- 3.11   0.526% *  0.0652% (0.87  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HA    GLN   32  31.77 +/- 4.44   0.156% *  0.1732% (0.23 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HA    GLU-  29  32.33 +/- 4.22   0.137% *  0.1881% (0.25 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HA    GLU-  29  16.61 +/- 2.86   1.624% *  0.0119% (0.16  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  33  28.85 +/- 4.80   0.222% *  0.0751% (1.00  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLN   32  21.27 +/- 3.63   0.936% *  0.0168% (0.22  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLN   32  18.09 +/- 3.04   1.039% *  0.0109% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLU-  29  29.65 +/- 4.73   0.206% *  0.0210% (0.28  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLN   32  28.82 +/- 4.54   0.204% *  0.0193% (0.26  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LYS+  33  31.23 +/- 4.91   0.175% *  0.0149% (0.20  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLU-  29  29.76 +/- 5.91   0.608% *  0.0041% (0.06  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   32  30.68 +/- 5.40   0.248% *  0.0038% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.22 A, kept.
 
    Peak 274 (2.92, 4.01, 59.34 ppm):
    24 chemical-shift based assignments, quality = 0.774, support = 5.24, residual support = 112.2:
    *   T QE    LYS+  33 - HA    LYS+  33   3.88 +/- 0.80  28.316% * 49.9201% (1.00 10.00   5.71 153.50) =  69.249%  kept
        T HB2   ASN   28 - HA    GLU-  29   4.20 +/- 0.18  22.158% * 13.6611% (0.27 10.00   5.75  32.53) =  14.830%  kept
        T HB2   ASN   35 - HA    LYS+  33   5.45 +/- 0.30  10.278% * 17.0281% (0.34 10.00   2.85   5.09) =   8.574%  kept
        T HB2   ASN   35 - HA    GLN   32   4.78 +/- 1.14  18.151% *  4.3792% (0.09 10.00   2.06   3.40) =   3.894%  kept
        T QE    LYS+  33 - HA    GLN   32   6.92 +/- 0.94   5.140% * 12.8380% (0.26 10.00   3.56  15.25) =   3.233%  kept
        T QE    LYS+  33 - HA    GLU-  29   7.28 +/- 1.26   5.893% *  0.5381% (0.28 10.00   0.08   0.02) =   0.155%  kept
        T HB2   ASN   28 - HA    LYS+  33  10.95 +/- 0.72   1.323% *  0.4893% (0.98 10.00   0.02   0.02) =   0.032%
        T HB2   ASN   28 - HA    GLN   32   8.60 +/- 0.82   2.784% *  0.1258% (0.25 10.00   0.02   0.02) =   0.017%
        T QE    LYS+  65 - HA    LYS+  33  20.23 +/- 2.57   0.237% *  0.4477% (0.90 10.00   0.02   0.02) =   0.005%
        T HB2   ASN   35 - HA    GLU-  29   9.79 +/- 1.40   1.691% *  0.0475% (0.10 10.00   0.02   0.02) =   0.004%
        T QE    LYS+  65 - HA    GLU-  29  19.95 +/- 3.46   0.293% *  0.1250% (0.25 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  65 - HA    GLN   32  20.80 +/- 3.20   0.235% *  0.1151% (0.23 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HA    LYS+  33  20.73 +/- 4.11   0.234% *  0.1111% (0.22 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HA    LYS+  33  21.36 +/- 5.29   0.329% *  0.0343% (0.69  1.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HA    GLU-  29  18.54 +/- 3.17   0.279% *  0.0310% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  33  23.96 +/- 5.02   0.182% *  0.0323% (0.65  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLN   32  20.55 +/- 3.48   0.196% *  0.0286% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    LYS+  33  16.98 +/- 3.22   0.574% *  0.0077% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  29  18.51 +/- 5.39   0.440% *  0.0096% (0.19  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLN   32  19.56 +/- 5.99   0.380% *  0.0088% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  29  21.45 +/- 3.32   0.183% *  0.0090% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLN   32  23.74 +/- 4.01   0.133% *  0.0083% (0.17  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLN   32  18.52 +/- 2.55   0.332% *  0.0020% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  29  20.53 +/- 2.70   0.239% *  0.0022% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.06 A, kept.
 
    Peak 275 (4.01, 1.86, 32.27 ppm):
    11 chemical-shift based assignments, quality = 0.987, support = 6.44, residual support = 150.5:
    * O T HA    LYS+  33 - QB    LYS+  33   2.18 +/- 0.03  76.496% * 75.6729% (1.00  10.0 10.00   6.49 153.50) =  97.889%  kept
        T HA    GLN   32 - QB    LYS+  33   5.38 +/- 0.17   5.089% * 21.0399% (0.28   1.0 10.00   4.83  15.25) =   1.811%  kept
        T HA    GLU-  29 - QB    LYS+  33   5.94 +/- 1.36   6.085% *  2.8197% (0.97   1.0 10.00   0.08   0.02) =   0.290%  kept
          HA    VAL   18 - QB    LYS+  33   9.95 +/- 2.76   6.217% *  0.0716% (0.95   1.0  1.00   0.02   0.02) =   0.008%
          HB2   SER   37 - QB    LYS+  33   6.71 +/- 1.34   4.406% *  0.0168% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - QB    LYS+  33  12.00 +/- 2.46   0.819% *  0.0656% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QB    LYS+  33  20.32 +/- 5.46   0.167% *  0.0679% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  33  22.73 +/- 4.29   0.282% *  0.0398% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  33  26.09 +/- 3.74   0.092% *  0.1168% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  33  22.12 +/- 3.84   0.277% *  0.0234% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    LYS+  33  23.91 +/- 2.74   0.069% *  0.0656% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 276 (1.86, 1.86, 32.27 ppm):
    1 diagonal assignment:
    *     QB    LYS+  33 - QB    LYS+  33  (1.00)  kept
 
    Peak 278 (1.38, 1.86, 32.27 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 153.5:
    * O T HG3   LYS+  33 - QB    LYS+  33   2.48 +/- 0.09  89.071% * 96.3761% (1.00  10.0 10.00   6.21 153.50) =  99.980%  kept
        T QB    LEU   98 - QB    LYS+  33  12.87 +/- 2.92   0.915% *  0.5071% (0.53   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+  65 - QB    LYS+  33  17.57 +/- 2.70   0.326% *  0.9552% (0.99   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 102 - QB    LYS+  33  18.25 +/- 4.69   0.325% *  0.9117% (0.95   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   12 - QB    LYS+  33  11.13 +/- 3.18   2.802% *  0.0772% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 106 - QB    LYS+  33  18.89 +/- 2.09   0.227% *  0.7717% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - QB    LYS+  33  10.94 +/- 2.39   1.380% *  0.0930% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QB    LYS+  33  12.86 +/- 1.49   0.774% *  0.0955% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QB    LYS+  33  16.90 +/- 3.70   1.760% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+  33  13.38 +/- 2.07   0.848% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+  33  14.43 +/- 3.28   0.599% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+  33  26.87 +/- 3.44   0.088% *  0.0864% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  33  17.62 +/- 4.46   0.445% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+  33  22.35 +/- 3.34   0.225% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+  33  21.23 +/- 4.06   0.215% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 279 (1.63, 1.86, 32.27 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.02, residual support = 153.5:
    * O T QD    LYS+  33 - QB    LYS+  33   2.31 +/- 0.24  98.472% * 97.3258% (1.00  10.0 10.00   5.02 153.50) =  99.992%  kept
        T HD2   LYS+  74 - QB    LYS+  33  14.65 +/- 2.68   0.952% *  0.5510% (0.57   1.0 10.00   0.02   0.02) =   0.005%
        T HB3   LEU  123 - QB    LYS+  33  25.19 +/- 4.32   0.124% *  0.9733% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - QB    LYS+  33  29.29 +/- 2.97   0.060% *  0.8728% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QB    LYS+  33  18.72 +/- 2.79   0.296% *  0.0844% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - QB    LYS+  33  26.88 +/- 4.28   0.095% *  0.1926% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 280 (2.92, 1.86, 32.27 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 5.64, residual support = 153.2:
    *   T QE    LYS+  33 - QB    LYS+  33   2.59 +/- 0.62  83.461% * 96.4682% (1.00 10.00   5.65 153.50) =  99.789%  kept
          HB2   ASN   35 - QB    LYS+  33   6.73 +/- 0.33   7.007% *  2.2138% (0.34  1.00   1.35   5.09) =   0.192%  kept
        T HB2   ASP-  76 - QB    LYS+  33  17.19 +/- 3.89   2.635% *  0.2148% (0.22 10.00   0.02   0.02) =   0.007%
        T QE    LYS+  65 - QB    LYS+  33  16.99 +/- 2.40   0.522% *  0.8652% (0.90 10.00   0.02   0.02) =   0.006%
          HB2   ASN   28 - QB    LYS+  33   9.11 +/- 1.08   3.311% *  0.0946% (0.98  1.00   0.02   0.02) =   0.004%
          HB2   ASP-  78 - QB    LYS+  33  20.08 +/- 4.62   1.738% *  0.0624% (0.65  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - QB    LYS+  33  18.50 +/- 4.19   0.594% *  0.0663% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QB    LYS+  33  14.78 +/- 3.12   0.732% *  0.0149% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 287 (4.01, 1.38, 25.23 ppm):
    44 chemical-shift based assignments, quality = 0.954, support = 6.09, residual support = 143.5:
    * O T HA    LYS+  33 - HG3   LYS+  33   3.43 +/- 0.23  40.034% * 71.8513% (1.00  10.0 10.00   6.28 153.50) =  92.871%  kept
        T HA    GLN   32 - HG3   LYS+  33   5.89 +/- 0.71   9.561% * 19.9773% (0.28   1.0 10.00   4.18  15.25) =   6.167%  kept
        T HA    GLU-  29 - HG3   LYS+  33   6.72 +/- 1.11   8.205% *  2.6773% (0.97   1.0 10.00   0.08   0.02) =   0.709%  kept
          HA    VAL   18 - HG3   LYS+  65  11.41 +/- 4.73   4.687% *  1.2420% (0.82   1.0  1.00   0.42   0.02) =   0.188%  kept
          HA    VAL   18 - HG3   LYS+  33  10.23 +/- 2.49   3.364% *  0.0680% (0.95   1.0  1.00   0.02   0.02) =   0.007%
        T HA    GLU-  29 - HG3   LYS+  65  20.85 +/- 3.70   0.356% *  0.5988% (0.83   1.0 10.00   0.02   0.02) =   0.007%
          HB2   SER   37 - HG3   LYS+  33   6.98 +/- 2.35  12.914% *  0.0160% (0.22   1.0  1.00   0.02   0.02) =   0.007%
        T HA    LYS+  33 - HG3   LYS+  65  20.96 +/- 2.81   0.230% *  0.6205% (0.86   1.0 10.00   0.02   0.02) =   0.005%
        T HA    GLU-  29 - HG3   LYS+ 102  20.12 +/- 5.66   0.383% *  0.3445% (0.48   1.0 10.00   0.02   0.02) =   0.004%
          HA    VAL   70 - HG3   LYS+  33  12.24 +/- 2.94   2.014% *  0.0623% (0.87   1.0  1.00   0.02   0.02) =   0.004%
          HA    SER   48 - HG3   LYS+  65  16.58 +/- 6.32   3.422% *  0.0326% (0.45   1.0  1.00   0.02   0.02) =   0.004%
        T HA    GLU-  29 - HG3   LYS+ 106  20.47 +/- 2.77   0.230% *  0.4406% (0.61   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LYS+  33 - HG3   LYS+ 102  20.06 +/- 5.90   0.281% *  0.3569% (0.50   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LYS+  33 - HG3   LYS+ 106  21.41 +/- 2.61   0.192% *  0.4566% (0.64   1.0 10.00   0.02   0.02) =   0.003%
          HA    VAL   70 - HG3   LYS+  65  11.67 +/- 1.48   1.448% *  0.0538% (0.75   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   48 - HG3   LYS+ 106  18.88 +/- 4.03   2.501% *  0.0240% (0.33   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG3   LYS+ 102  18.05 +/- 6.80   0.588% *  0.0992% (0.14   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG3   LYS+  65  21.55 +/- 3.44   0.280% *  0.1725% (0.24   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG3   LYS+ 106  19.47 +/- 3.45   0.298% *  0.1269% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   PRO   52 - HG3   LYS+ 106  19.32 +/- 3.58   0.496% *  0.0704% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HG3   LYS+ 106  17.81 +/- 3.90   0.688% *  0.0432% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HG3   LYS+  65  15.19 +/- 1.52   0.550% *  0.0538% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HG3   LYS+ 106  16.54 +/- 3.75   0.622% *  0.0396% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HG3   LYS+ 106  14.91 +/- 2.82   0.592% *  0.0396% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HG3   LYS+  33  21.98 +/- 5.95   0.287% *  0.0644% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HG3   LYS+ 106  13.49 +/- 2.60   1.100% *  0.0141% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HG3   LYS+ 106  19.46 +/- 3.30   0.327% *  0.0409% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 102  20.12 +/- 6.11   0.365% *  0.0310% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  24.48 +/- 4.36   0.284% *  0.0378% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 102  21.25 +/- 4.20   0.249% *  0.0338% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  65  23.35 +/- 3.46   0.149% *  0.0556% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  33  25.48 +/- 2.94   0.126% *  0.0623% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  23.88 +/- 3.93   0.319% *  0.0222% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  27.26 +/- 5.37   0.362% *  0.0188% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 102  23.77 +/- 5.01   0.182% *  0.0320% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  17.60 +/- 3.98   0.521% *  0.0096% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+  65  18.46 +/- 2.41   0.335% *  0.0138% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 102  24.27 +/- 2.78   0.126% *  0.0310% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 102  19.66 +/- 7.12   0.416% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  23.94 +/- 3.74   0.161% *  0.0192% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  19.96 +/- 3.06   0.269% *  0.0110% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 106  20.29 +/- 3.25   0.247% *  0.0102% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  28.04 +/- 3.96   0.139% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  29.31 +/- 4.09   0.100% *  0.0055% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 288 (1.86, 1.38, 25.23 ppm):
    56 chemical-shift based assignments, quality = 0.844, support = 6.09, residual support = 145.1:
    * O T QB    LYS+  33 - HG3   LYS+  33   2.48 +/- 0.09  38.616% * 52.4670% (1.00  10.0 10.00   6.21 153.50) =  61.073%  kept
      O T QB    LYS+ 106 - HG3   LYS+ 106   2.46 +/- 0.11  39.694% * 31.5385% (0.60  10.0 10.00   5.94 135.48) =  37.737%  kept
          HB3   ASP- 105 - HG3   LYS+ 106   5.77 +/- 0.56   3.415% *  7.2507% (0.62   1.0  1.00   4.44  22.22) =   0.746%  kept
          HB    ILE  103 - HG3   LYS+ 102   6.38 +/- 0.73   2.606% *  5.3801% (0.47   1.0  1.00   4.36  23.23) =   0.423%  kept
          HB    ILE  103 - HG3   LYS+ 106   5.74 +/- 0.82   3.701% *  0.0315% (0.60   1.0  1.00   0.02   0.02) =   0.004%
        T QB    LYS+ 106 - HG3   LYS+ 102  11.32 +/- 0.98   0.424% *  0.2465% (0.47   1.0 10.00   0.02   0.02) =   0.003%
        T QB    LYS+  33 - HG3   LYS+  65  17.57 +/- 2.70   0.134% *  0.4531% (0.86   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+ 106 - HG3   LYS+  65  18.49 +/- 2.68   0.126% *  0.4286% (0.82   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - HG3   LYS+  33   5.59 +/- 0.87   4.080% *  0.0131% (0.25   1.0  1.00   0.02   0.31) =   0.002%
        T QB    LYS+ 106 - HG3   LYS+  33  19.46 +/- 2.33   0.091% *  0.4963% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HG3   LYS+ 102  18.25 +/- 4.69   0.138% *  0.2606% (0.50   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HG3   LYS+ 106  18.89 +/- 2.09   0.095% *  0.3334% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HG3   LYS+  65  10.96 +/- 1.55   0.559% *  0.0418% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG3   LYS+  65  15.95 +/- 3.31   0.333% *  0.0437% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  33  10.59 +/- 1.30   0.574% *  0.0216% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 106  16.82 +/- 3.06   0.348% *  0.0322% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 106  14.58 +/- 2.38   0.279% *  0.0330% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  33  20.80 +/- 4.89   0.174% *  0.0506% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+ 102  12.18 +/- 0.99   0.345% *  0.0255% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  65  14.37 +/- 2.16   0.338% *  0.0257% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  33  17.95 +/- 3.29   0.178% *  0.0484% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  33  25.16 +/- 4.57   0.116% *  0.0520% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  33  19.83 +/- 3.11   0.113% *  0.0514% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  33  19.26 +/- 3.70   0.108% *  0.0496% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  65  18.84 +/- 3.33   0.120% *  0.0437% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 106  19.89 +/- 5.06   0.157% *  0.0308% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  65  18.79 +/- 3.10   0.106% *  0.0444% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  65  22.06 +/- 4.31   0.085% *  0.0449% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 106  20.95 +/- 3.31   0.106% *  0.0322% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 106  16.36 +/- 3.22   0.179% *  0.0189% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 102  18.16 +/- 8.83   0.271% *  0.0107% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  65  22.80 +/- 3.00   0.062% *  0.0429% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 102  22.46 +/- 4.21   0.102% *  0.0252% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  65  16.06 +/- 2.82   0.209% *  0.0113% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  33  28.27 +/- 4.59   0.044% *  0.0506% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 102  24.32 +/- 6.67   0.091% *  0.0241% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  16.22 +/- 2.64   0.183% *  0.0113% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  65  18.97 +/- 4.75   0.282% *  0.0070% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  33  25.39 +/- 3.67   0.060% *  0.0297% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  65  20.53 +/- 2.71   0.089% *  0.0186% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  18.85 +/- 2.96   0.123% *  0.0113% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 102  23.10 +/- 2.24   0.053% *  0.0258% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 106  19.80 +/- 4.05   0.098% *  0.0137% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 106  17.46 +/- 2.32   0.127% *  0.0083% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 102  30.53 +/- 4.39   0.040% *  0.0252% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  19.05 +/- 3.97   0.120% *  0.0083% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  19.53 +/- 3.25   0.116% *  0.0083% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 106  15.10 +/- 1.30   0.188% *  0.0051% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 102  19.37 +/- 4.52   0.128% *  0.0065% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  25.97 +/- 4.17   0.046% *  0.0131% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 102  26.15 +/- 2.96   0.036% *  0.0148% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  33  25.70 +/- 3.70   0.053% *  0.0081% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  29.51 +/- 3.68   0.032% *  0.0131% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  26.49 +/- 4.92   0.043% *  0.0065% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  29.79 +/- 3.42   0.027% *  0.0065% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 102  25.51 +/- 1.88   0.038% *  0.0040% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 290 (1.38, 1.38, 25.23 ppm):
    4 diagonal assignments:
    *     HG3   LYS+  33 - HG3   LYS+  33  (1.00)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.86)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.51)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.47)  kept
 
    Peak 291 (1.63, 1.38, 25.23 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 153.5:
    * O T QD    LYS+  33 - HG3   LYS+  33   2.33 +/- 0.16  85.074% * 94.8130% (1.00  10.0 10.00   4.54 153.50) =  99.981%  kept
          HD2   LYS+  74 - HG3   LYS+  65   9.32 +/- 3.99   8.041% *  0.0464% (0.49   1.0  1.00   0.02   0.02) =   0.005%
        T QD    LYS+  33 - HG3   LYS+  65  16.78 +/- 3.14   0.325% *  0.8188% (0.86   1.0 10.00   0.02   0.02) =   0.003%
        T HD3   LYS+ 111 - HG3   LYS+ 106  15.49 +/- 2.53   0.479% *  0.5403% (0.57   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  33 - HG3   LYS+ 102  18.57 +/- 4.35   0.237% *  0.4710% (0.50   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HG3   LYS+ 106  18.76 +/- 2.00   0.185% *  0.6025% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG3   LYS+  65  10.95 +/- 2.05   1.198% *  0.0710% (0.75   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG3   LYS+  65  23.15 +/- 3.23   0.115% *  0.7343% (0.77   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HG3   LYS+  33  15.23 +/- 3.04   0.762% *  0.0537% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG3   LYS+  33  31.54 +/- 3.10   0.044% *  0.8503% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 106  14.54 +/- 2.92   0.670% *  0.0523% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+ 102  25.73 +/- 2.62   0.075% *  0.4224% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  33  19.98 +/- 3.06   0.337% *  0.0822% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  65  17.79 +/- 2.91   0.263% *  0.0819% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  65  16.32 +/- 3.45   0.900% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 106  16.46 +/- 3.12   0.314% *  0.0341% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 106  20.79 +/- 4.07   0.167% *  0.0602% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  33  27.00 +/- 4.94   0.081% *  0.0948% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 102  21.97 +/- 3.20   0.156% *  0.0409% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 102  22.77 +/- 3.58   0.153% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 102  27.61 +/- 5.41   0.072% *  0.0471% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 106  21.69 +/- 3.35   0.176% *  0.0119% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  33  28.91 +/- 4.81   0.094% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 102  31.21 +/- 4.60   0.082% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.05 A, kept.
 
    Peak 292 (2.92, 1.38, 25.23 ppm):
    32 chemical-shift based assignments, quality = 0.885, support = 4.77, residual support = 156.7:
      O T QE    LYS+  65 - HG3   LYS+  65   2.46 +/- 0.48  50.601% * 42.3520% (0.77  10.0 10.00   4.35 159.74) =  50.990%  kept
    * O T QE    LYS+  33 - HG3   LYS+  33   2.80 +/- 0.53  37.652% * 54.6859% (1.00  10.0 10.00   5.21 153.50) =  48.991%  kept
        T QE    LYS+  33 - HG3   LYS+  65  17.24 +/- 3.66   0.322% *  0.4722% (0.86   1.0 10.00   0.02   0.02) =   0.004%
        T QE    LYS+  65 - HG3   LYS+  33  18.12 +/- 2.76   0.199% *  0.4904% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   ASP-  76 - HG3   LYS+  65  13.88 +/- 4.34   0.877% *  0.1051% (0.19   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASN   28 - HG3   LYS+  33   9.80 +/- 1.01   1.147% *  0.0536% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HG3   LYS+ 106  19.16 +/- 2.54   0.182% *  0.3116% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HG3   LYS+ 106  19.41 +/- 2.06   0.138% *  0.3475% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HG3   LYS+  33   7.44 +/- 0.67   2.552% *  0.0187% (0.34   1.0  1.00   0.02   5.09) =   0.001%
        T QE    LYS+  33 - HG3   LYS+ 102  18.97 +/- 4.19   0.172% *  0.2717% (0.50   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HG3   LYS+  33  18.19 +/- 3.82   0.348% *  0.1217% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   28 - HG3   LYS+  65  20.11 +/- 4.52   0.483% *  0.0463% (0.85   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HG3   LYS+ 106  17.12 +/- 3.17   0.248% *  0.0774% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  25.11 +/- 2.70   0.075% *  0.2436% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  13.77 +/- 2.97   0.577% *  0.0239% (0.44   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 102  23.16 +/- 4.82   0.208% *  0.0605% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  16.83 +/- 5.00   0.340% *  0.0305% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  20.10 +/- 5.71   0.359% *  0.0266% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  21.53 +/- 4.52   0.228% *  0.0354% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  19.82 +/- 4.65   0.199% *  0.0376% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  19.28 +/- 3.23   0.180% *  0.0341% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  65  12.96 +/- 2.15   0.721% *  0.0073% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  18.18 +/- 4.59   0.250% *  0.0187% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  33  15.62 +/- 3.62   0.432% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  19.79 +/- 3.51   0.157% *  0.0225% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  22.28 +/- 3.29   0.104% *  0.0324% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  25.75 +/- 6.12   0.176% *  0.0176% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  22.16 +/- 3.54   0.160% *  0.0161% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  18.44 +/- 7.82   0.270% *  0.0093% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  20.50 +/- 3.88   0.134% *  0.0119% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 106  20.12 +/- 4.20   0.238% *  0.0054% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 102  22.99 +/- 7.35   0.272% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 293 (4.01, 1.63, 29.57 ppm):
    22 chemical-shift based assignments, quality = 0.956, support = 4.7, residual support = 137.7:
    *   T HA    LYS+  33 - QD    LYS+  33   3.75 +/- 0.73  42.270% * 66.5665% (1.00 10.00   5.03 153.50) =  89.125%  kept
        T HA    GLN   32 - QD    LYS+  33   6.43 +/- 1.20   9.960% * 18.5080% (0.28 10.00   3.34  15.25) =   5.839%  kept
        T HA    GLU-  29 - QD    LYS+  33   6.38 +/- 1.28  12.151% * 12.9830% (0.97 10.00   0.40   0.02) =   4.997%  kept
          HA    VAL   18 - QD    LYS+  33   8.98 +/- 2.54   6.456% *  0.0630% (0.95  1.00   0.02   0.02) =   0.013%
          HB2   SER   37 - QD    LYS+  33   7.05 +/- 2.52  18.307% *  0.0148% (0.22  1.00   0.02   0.02) =   0.009%
          HA    VAL   70 - QD    LYS+  33  11.68 +/- 3.17   3.971% *  0.0577% (0.87  1.00   0.02   0.02) =   0.007%
          HA    GLN  116 - HD3   LYS+ 111  11.92 +/- 1.14   1.658% *  0.0517% (0.78  1.00   0.02   0.02) =   0.003%
        T HA    GLU-  29 - HD3   LYS+ 111  32.33 +/- 4.22   0.098% *  0.5757% (0.86 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  33 - HD3   LYS+ 111  33.32 +/- 3.49   0.078% *  0.5965% (0.90 10.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QD    LYS+  33  19.75 +/- 5.24   0.538% *  0.0597% (0.90  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HD3   LYS+ 111  31.77 +/- 4.44   0.111% *  0.1659% (0.25 10.00   0.02   0.02) =   0.001%
          HA    SER   48 - QD    LYS+  33  22.32 +/- 4.04   0.421% *  0.0350% (0.53  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD    LYS+  33  23.42 +/- 2.80   0.239% *  0.0577% (0.87  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  14.80 +/- 3.70   1.477% *  0.0092% (0.14  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HD3   LYS+ 111  19.72 +/- 3.29   0.432% *  0.0314% (0.47  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HD3   LYS+ 111  24.42 +/- 3.39   0.236% *  0.0517% (0.78  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  33  21.82 +/- 3.60   0.558% *  0.0205% (0.31  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   LYS+ 111  26.68 +/- 3.73   0.177% *  0.0564% (0.85  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HD3   LYS+ 111  27.10 +/- 3.95   0.177% *  0.0535% (0.80  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  20.27 +/- 3.11   0.393% *  0.0184% (0.28  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  33  25.64 +/- 3.50   0.203% *  0.0103% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HD3   LYS+ 111  30.95 +/- 2.95   0.090% *  0.0133% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 294 (1.86, 1.63, 29.57 ppm):
    28 chemical-shift based assignments, quality = 0.999, support = 5.02, residual support = 153.3:
    * O T QB    LYS+  33 - QD    LYS+  33   2.31 +/- 0.24  82.306% * 92.8901% (1.00  10.0 10.00   5.02 153.50) =  99.852%  kept
          HB3   GLN   30 - QD    LYS+  33   5.64 +/- 0.68   7.113% *  1.3982% (0.25   1.0  1.00   1.21   0.31) =   0.130%  kept
        T HG3   PRO   68 - QD    LYS+  33  16.64 +/- 3.36   0.343% *  0.8575% (0.92   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   ARG+  54 - HD3   LYS+ 111  16.26 +/- 2.45   0.284% *  0.8033% (0.86   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   PRO   68 - HD3   LYS+ 111  24.73 +/- 5.15   0.224% *  0.7684% (0.83   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HD3   LYS+ 111  12.52 +/- 2.49   1.102% *  0.0787% (0.85   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   ARG+  54 - QD    LYS+  33  25.85 +/- 3.87   0.080% *  0.8965% (0.97   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU  123 - HD3   LYS+ 111  18.03 +/- 2.06   0.266% *  0.2076% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QD    LYS+  33  18.69 +/- 4.54   0.601% *  0.0896% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - QD    LYS+  33  10.57 +/- 1.31   1.122% *  0.0382% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HD3   LYS+ 111  29.29 +/- 2.97   0.050% *  0.8324% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HD3   LYS+ 111  17.44 +/- 4.56   0.479% *  0.0825% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HD3   LYS+ 111  12.84 +/- 2.85   0.809% *  0.0471% (0.51   1.0  1.00   0.02   1.77) =   0.000%
          HB3   ASP- 105 - HD3   LYS+ 111  16.41 +/- 3.41   0.423% *  0.0816% (0.88   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  33  23.69 +/- 4.24   0.125% *  0.2316% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD3   LYS+ 111  12.64 +/- 4.48   1.308% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  33  18.12 +/- 3.19   0.258% *  0.0879% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  33  18.71 +/- 2.89   0.242% *  0.0911% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   LYS+ 111  13.38 +/- 3.76   1.711% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  33  23.00 +/- 4.23   0.209% *  0.0921% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  33  18.18 +/- 1.98   0.210% *  0.0879% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   LYS+ 111  21.25 +/- 3.94   0.221% *  0.0803% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   LYS+ 111  20.17 +/- 2.38   0.160% *  0.0787% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  33  23.34 +/- 3.18   0.097% *  0.0526% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   LYS+ 111  30.48 +/- 3.09   0.045% *  0.0342% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  33  27.02 +/- 3.16   0.062% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  33  23.56 +/- 3.02   0.093% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   LYS+ 111  28.53 +/- 2.96   0.056% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 296 (1.38, 1.63, 29.57 ppm):
    30 chemical-shift based assignments, quality = 0.999, support = 4.54, residual support = 152.8:
    * O T HG3   LYS+  33 - QD    LYS+  33   2.33 +/- 0.16  79.958% * 79.1573% (1.00  10.0 10.00   4.54 153.50) =  99.418%  kept
          HB2   LYS+ 112 - HD3   LYS+ 111   8.21 +/- 1.02   2.344% * 15.1049% (0.80   1.0  1.00   4.75  28.75) =   0.556%  kept
          QB    ALA   12 - QD    LYS+  33  10.52 +/- 3.02   5.472% *  0.0634% (0.80   1.0  1.00   0.02   0.02) =   0.005%
        T HG3   LYS+ 106 - HD3   LYS+ 111  15.49 +/- 2.53   0.442% *  0.5680% (0.72   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  65 - QD    LYS+  33  16.78 +/- 3.14   0.307% *  0.7846% (0.99   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 102 - QD    LYS+  33  18.57 +/- 4.35   0.224% *  0.7488% (0.95   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LEU   73 - QD    LYS+  33  10.22 +/- 2.49   1.510% *  0.0764% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - QD    LYS+  33  18.76 +/- 2.00   0.174% *  0.6338% (0.80   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - HD3   LYS+ 111  23.15 +/- 3.23   0.108% *  0.7031% (0.89   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD    LYS+  33  12.66 +/- 1.95   0.695% *  0.0785% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD    LYS+  33  16.41 +/- 3.58   2.705% *  0.0176% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 102 - HD3   LYS+ 111  25.73 +/- 2.62   0.070% *  0.6710% (0.85   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 121 - HD3   LYS+ 111  18.70 +/- 2.74   0.221% *  0.1769% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HD3   LYS+ 111  11.11 +/- 3.51   1.887% *  0.0177% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  33 - HD3   LYS+ 111  31.54 +/- 3.10   0.041% *  0.7093% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  33  13.01 +/- 2.47   0.609% *  0.0416% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  33  12.42 +/- 2.04   0.948% *  0.0220% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD3   LYS+ 111  19.75 +/- 2.78   0.167% *  0.0703% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD3   LYS+ 111  23.80 +/- 3.92   0.107% *  0.0685% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   LYS+ 111  19.47 +/- 2.43   0.167% *  0.0373% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  14.53 +/- 2.91   0.445% *  0.0122% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  33  26.42 +/- 3.05   0.067% *  0.0710% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  33  16.94 +/- 4.20   0.380% *  0.0122% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  17.19 +/- 3.23   0.263% *  0.0158% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    LYS+  33  20.85 +/- 4.71   0.193% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  21.95 +/- 3.34   0.160% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   LYS+ 111  32.71 +/- 3.98   0.035% *  0.0568% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   LYS+ 111  23.39 +/- 3.19   0.090% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  22.15 +/- 2.85   0.119% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   LYS+ 111  24.66 +/- 4.53   0.093% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.05 A, kept.
 
    Peak 297 (1.63, 1.63, 29.57 ppm):
    2 diagonal assignments:
    *     QD    LYS+  33 - QD    LYS+  33  (1.00)  kept
          HD3   LYS+ 111 - HD3   LYS+ 111  (0.80)  kept
 
    Peak 298 (2.92, 1.63, 29.57 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.24, residual support = 153.5:
    * O T QE    LYS+  33 - QD    LYS+  33   2.10 +/- 0.03  93.523% * 96.5704% (1.00  10.0 10.00   4.24 153.50) =  99.991%  kept
        T QE    LYS+  65 - QD    LYS+  33  16.28 +/- 2.76   0.289% *  0.8661% (0.90   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   ASP-  76 - QD    LYS+  33  16.25 +/- 3.61   0.818% *  0.2150% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASN   28 - QD    LYS+  33   9.22 +/- 1.02   1.266% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HD3   LYS+ 111  21.55 +/- 2.82   0.110% *  0.7761% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QD    LYS+  33   7.92 +/- 0.87   2.006% *  0.0329% (0.34   1.0  1.00   0.02   5.09) =   0.001%
          HB2   ASP-  78 - QD    LYS+  33  19.10 +/- 4.30   0.727% *  0.0625% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HD3   LYS+ 111  29.58 +/- 2.82   0.037% *  0.8654% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD3   LYS+ 111  23.38 +/- 4.59   0.103% *  0.1927% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  33  18.12 +/- 4.03   0.227% *  0.0663% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  33  14.55 +/- 3.84   0.573% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  23.50 +/- 3.36   0.085% *  0.0594% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  24.96 +/- 4.86   0.083% *  0.0560% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  30.74 +/- 4.25   0.041% *  0.0848% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD3   LYS+ 111  26.46 +/- 3.86   0.078% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  32.49 +/- 4.11   0.033% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 299 (4.01, 2.92, 42.01 ppm):
    33 chemical-shift based assignments, quality = 0.961, support = 5.54, residual support = 144.7:
    *   T HA    LYS+  33 - QE    LYS+  33   3.88 +/- 0.80  27.782% * 74.1870% (1.00 10.00   5.71 153.50) =  93.784%  kept
        T HA    GLN   32 - QE    LYS+  33   6.92 +/- 0.94   5.503% * 20.6268% (0.28 10.00   3.56  15.25) =   5.165%  kept
        T HA    GLU-  29 - QE    LYS+  33   7.28 +/- 1.26   6.830% *  2.7643% (0.97 10.00   0.08   0.02) =   0.859%  kept
          HA    VAL   18 - QE    LYS+  65  11.62 +/- 4.12   3.663% *  0.7634% (0.49  1.00   0.42   0.02) =   0.127%  kept
          HB2   SER   37 - QE    LYS+  33   6.90 +/- 2.88  18.765% *  0.0165% (0.22  1.00   0.02   0.02) =   0.014%
          HA    VAL   18 - QE    LYS+  33   9.49 +/- 2.50   3.437% *  0.0702% (0.95  1.00   0.02   0.02) =   0.011%
          HA    SER   48 - QE    LYS+  65  14.94 +/- 6.69   8.669% *  0.0201% (0.27  1.00   0.02   0.02) =   0.008%
          HA    VAL   70 - QE    LYS+  33  11.84 +/- 3.41   2.531% *  0.0644% (0.87  1.00   0.02   0.02) =   0.007%
        T HA    GLU-  29 - QE    LYS+  65  19.95 +/- 3.46   0.259% *  0.3680% (0.50 10.00   0.02   0.02) =   0.004%
        T HA    LYS+  33 - QE    LYS+  65  20.23 +/- 2.57   0.249% *  0.3814% (0.51 10.00   0.02   0.02) =   0.004%
          HA    VAL   18 - HB2   ASP-  76  13.29 +/- 3.46   8.137% *  0.0105% (0.14  1.00   0.02   0.02) =   0.004%
        T HA    GLU-  29 - HB2   ASP-  76  18.54 +/- 3.17   0.330% *  0.1068% (0.14 10.00   0.02   0.02) =   0.002%
          HA    VAL   70 - QE    LYS+  65  12.25 +/- 1.29   1.055% *  0.0331% (0.45  1.00   0.02   0.02) =   0.002%
          HA    SER   48 - HB2   ASP-  76  11.28 +/- 5.61   4.640% *  0.0058% (0.08  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  33 - HB2   ASP-  76  20.73 +/- 4.11   0.217% *  0.1107% (0.15 10.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - QE    LYS+  65  20.80 +/- 3.20   0.217% *  0.1060% (0.14 10.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QE    LYS+  65  14.49 +/- 1.51   0.658% *  0.0331% (0.45  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QE    LYS+  33  20.50 +/- 5.16   0.273% *  0.0665% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB2   ASP-  76  11.96 +/- 1.32   1.186% *  0.0099% (0.13  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QE    LYS+  33  23.94 +/- 2.97   0.145% *  0.0644% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  65  21.44 +/- 3.92   0.244% *  0.0342% (0.46  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  33  22.86 +/- 4.19   0.178% *  0.0390% (0.53  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB2   ASP-  76  20.55 +/- 3.48   0.219% *  0.0308% (0.04 10.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  16.00 +/- 4.14   0.859% *  0.0059% (0.08  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   ASP-  76  19.56 +/- 4.30   0.489% *  0.0096% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  22.63 +/- 3.62   0.204% *  0.0229% (0.31  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   ASP-  76  16.93 +/- 2.22   0.352% *  0.0096% (0.13  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QE    LYS+  65  18.11 +/- 2.34   0.337% *  0.0085% (0.11  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASP-  76  16.05 +/- 5.05   1.461% *  0.0017% (0.02  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  22.40 +/- 3.93   0.210% *  0.0118% (0.16  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASP-  76  15.31 +/- 1.96   0.582% *  0.0034% (0.05  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  26.11 +/- 3.78   0.106% *  0.0114% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   ASP-  76  20.68 +/- 4.01   0.214% *  0.0025% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.09 A, kept.
 
    Peak 300 (1.86, 2.92, 42.01 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 5.64, residual support = 153.4:
    *   T QB    LYS+  33 - QE    LYS+  33   2.59 +/- 0.62  63.980% * 97.7357% (1.00 10.00   5.65 153.50) =  99.951%  kept
          HB3   GLN   30 - QE    LYS+  33   6.66 +/- 0.93   6.949% *  0.2431% (0.25  1.00   0.20   0.31) =   0.027%
        T QB    LYS+  33 - HB2   ASP-  76  17.19 +/- 3.89   2.039% *  0.1458% (0.15 10.00   0.02   0.02) =   0.005%
        T QB    LYS+  33 - QE    LYS+  65  16.99 +/- 2.40   0.395% *  0.5024% (0.51 10.00   0.02   0.02) =   0.003%
          QB    LYS+  81 - QE    LYS+  33  19.36 +/- 4.76   2.046% *  0.0943% (0.97  1.00   0.02   0.02) =   0.003%
          HB3   LYS+  38 - QE    LYS+  33  10.60 +/- 1.91   2.785% *  0.0402% (0.41  1.00   0.02   0.02) =   0.002%
          HG3   PRO   68 - QE    LYS+  65  11.03 +/- 1.96   1.506% *  0.0464% (0.47  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QE    LYS+  33  23.84 +/- 4.50   0.582% *  0.0969% (0.99  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QE    LYS+  65  14.37 +/- 3.24   0.963% *  0.0485% (0.50  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HB2   ASP-  76   8.34 +/- 1.20   3.207% *  0.0141% (0.14  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QE    LYS+  33  16.63 +/- 3.66   0.422% *  0.0902% (0.92  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HB2   ASP-  76  14.06 +/- 4.19   2.291% *  0.0144% (0.15  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QE    LYS+  65  17.22 +/- 3.78   0.668% *  0.0485% (0.50  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QE    LYS+  33  18.80 +/- 2.11   0.314% *  0.0925% (0.95  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  33  18.70 +/- 2.97   0.300% *  0.0925% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  33  19.26 +/- 2.90   0.274% *  0.0958% (0.98  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  65  20.58 +/- 4.54   0.416% *  0.0498% (0.51  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP-  76  17.48 +/- 5.17   1.430% *  0.0141% (0.14  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  65  13.48 +/- 1.80   0.627% *  0.0284% (0.29  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  33  26.30 +/- 4.16   0.158% *  0.0943% (0.97  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  65  17.84 +/- 2.24   0.271% *  0.0475% (0.49  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  33  23.86 +/- 3.55   0.222% *  0.0553% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  65  18.40 +/- 2.49   0.238% *  0.0492% (0.50  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  65  15.23 +/- 2.95   0.654% *  0.0125% (0.13  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   ASP-  76  16.24 +/- 2.60   0.479% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  65  21.93 +/- 2.39   0.138% *  0.0475% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+  65  15.82 +/- 2.46   0.468% *  0.0125% (0.13  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  65  17.59 +/- 4.76   0.671% *  0.0078% (0.08  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  65  20.07 +/- 2.75   0.242% *  0.0207% (0.21  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP-  76  16.91 +/- 3.65   0.563% *  0.0083% (0.08  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   ASP-  76  19.66 +/- 3.81   0.333% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  65  17.18 +/- 2.93   0.352% *  0.0125% (0.13  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP-  76  19.49 +/- 2.84   0.303% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   ASP-  76  19.33 +/- 3.08   0.275% *  0.0143% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  33  24.32 +/- 3.69   0.235% *  0.0151% (0.15  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  33  24.14 +/- 4.53   0.141% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  33  27.47 +/- 3.56   0.121% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP-  76  14.13 +/- 3.00   0.744% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ASP-  76  13.69 +/- 5.11   1.174% *  0.0022% (0.02  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP-  76  22.87 +/- 3.92   0.381% *  0.0060% (0.06  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  18.47 +/- 5.02   0.452% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  22.59 +/- 3.96   0.189% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 4.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 302 (1.38, 2.92, 42.01 ppm):
    45 chemical-shift based assignments, quality = 0.8, support = 4.86, residual support = 156.0:
    * O T HG3   LYS+  33 - QE    LYS+  33   2.80 +/- 0.53  31.205% * 63.8684% (1.00  10.0 10.00   5.21 153.50) =  59.340%  kept
      O T HG3   LYS+  65 - QE    LYS+  65   2.46 +/- 0.48  41.937% * 32.5421% (0.51  10.0 10.00   4.35 159.74) =  40.633%  kept
        T HG3   LYS+  65 - QE    LYS+  33  17.24 +/- 3.66   0.264% *  0.6330% (0.99   1.0 10.00   0.02   0.02) =   0.005%
          QB    ALA   12 - QE    LYS+  33  10.33 +/- 2.94   1.807% *  0.0511% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 102 - QE    LYS+  33  18.97 +/- 4.19   0.143% *  0.6042% (0.95   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  65 - HB2   ASP-  76  13.88 +/- 4.34   0.730% *  0.0944% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - QE    LYS+  33  11.07 +/- 2.87   1.043% *  0.0616% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - QE    LYS+  33  19.41 +/- 2.06   0.113% *  0.5114% (0.80   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  33 - QE    LYS+  65  18.12 +/- 2.76   0.163% *  0.3283% (0.51   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - QE    LYS+  65  19.16 +/- 2.54   0.150% *  0.2629% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QE    LYS+  33  13.18 +/- 2.47   0.521% *  0.0633% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  33 - HB2   ASP-  76  18.19 +/- 3.82   0.289% *  0.0953% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 102 - QE    LYS+  65  25.11 +/- 2.70   0.062% *  0.3106% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QE    LYS+  65  12.99 +/- 1.83   0.488% *  0.0325% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   ASP-  76  17.12 +/- 3.17   0.205% *  0.0763% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   ASP-  76  23.16 +/- 4.82   0.173% *  0.0901% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  65  12.25 +/- 1.83   0.465% *  0.0317% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  33  17.08 +/- 3.74   0.994% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  65  17.27 +/- 3.88   0.481% *  0.0263% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  65  10.27 +/- 3.07   1.178% *  0.0091% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  33  13.49 +/- 2.40   0.314% *  0.0336% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB2   ASP-  76  10.19 +/- 1.78   1.010% *  0.0092% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB2   ASP-  76   7.80 +/- 1.57   3.006% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  33  13.25 +/- 2.27   0.413% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   7.09 +/- 1.47   4.365% *  0.0015% (0.02   1.0  1.00   0.02   1.34) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  65  16.44 +/- 2.29   0.200% *  0.0294% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  76  13.61 +/- 4.58   2.245% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  76   8.01 +/- 1.25   2.043% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  65  15.05 +/- 3.60   0.490% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   ASP-  76  14.83 +/- 3.44   0.648% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  33  21.31 +/- 4.74   0.182% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  65  17.40 +/- 1.76   0.160% *  0.0173% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  33  27.02 +/- 3.23   0.047% *  0.0573% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HB2   ASP-  76  14.38 +/- 1.77   0.264% *  0.0094% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  33  15.07 +/- 2.94   0.245% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  33  17.67 +/- 4.32   0.225% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  65  15.47 +/- 3.38   0.278% *  0.0073% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  65  16.87 +/- 3.18   0.243% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  33  22.65 +/- 4.03   0.099% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  76  19.96 +/- 4.76   0.173% *  0.0085% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   ASP-  76  20.20 +/- 4.03   0.162% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  65  17.09 +/- 3.97   0.195% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  65  19.55 +/- 2.44   0.125% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  76  16.71 +/- 3.75   0.303% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   ASP-  76  21.26 +/- 4.17   0.155% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 303 (1.63, 2.92, 42.01 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.24, residual support = 153.5:
    * O T QD    LYS+  33 - QE    LYS+  33   2.10 +/- 0.03  75.732% * 97.4730% (1.00  10.0 10.00   4.24 153.50) =  99.991%  kept
          QB    ALA   57 - HB2   ASP-  76  12.66 +/- 4.57  12.193% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - QE    LYS+  65  16.28 +/- 2.76   0.236% *  0.5011% (0.51   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - HB2   ASP-  76  16.25 +/- 3.61   0.673% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - QE    LYS+  65   9.35 +/- 3.59   3.205% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QE    LYS+  65  10.08 +/- 2.35   1.135% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - QE    LYS+  65  21.55 +/- 2.82   0.089% *  0.4494% (0.46   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HB2   ASP-  76   7.47 +/- 1.72   4.551% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - QE    LYS+  33  29.58 +/- 2.82   0.030% *  0.8742% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  14.45 +/- 2.97   0.403% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  18.78 +/- 2.95   0.164% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  65  16.57 +/- 3.23   0.256% *  0.0501% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   ASP-  76  23.38 +/- 4.59   0.077% *  0.1304% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  33  25.00 +/- 5.24   0.072% *  0.0975% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  65  14.64 +/- 3.29   0.475% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   ASP-  76  17.90 +/- 5.19   0.573% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   ASP-  76  24.55 +/- 4.16   0.081% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  33  26.85 +/- 4.44   0.054% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 304 (2.92, 2.92, 42.01 ppm):
    3 diagonal assignments:
    *     QE    LYS+  33 - QE    LYS+  33  (1.00)  kept
          QE    LYS+  65 - QE    LYS+  65  (0.46)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.03)  kept
 
    Peak 305 (4.13, 4.13, 54.46 ppm):
    2 diagonal assignments:
    *     HA    ALA   34 - HA    ALA   34  (0.80)  kept
          HA    ALA  124 - HA    ALA  124  (0.12)  kept
 
    Peak 306 (1.28, 4.13, 54.46 ppm):
    14 chemical-shift based assignments, quality = 0.803, support = 1.93, residual support = 25.1:
    * O T QB    ALA   34 - HA    ALA   34   2.13 +/- 0.01  78.790% * 97.7402% (0.80  10.0 10.00   1.93  25.14) =  99.692%  kept
          QG2   THR   39 - HA    ALA   34   4.93 +/- 1.39  14.130% *  1.6607% (0.25   1.0  1.00   1.10   5.35) =   0.304%  kept
          HG3   LYS+  38 - HA    ALA   34   7.71 +/- 0.53   1.740% *  0.0573% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - HA    ALA   34  15.79 +/- 4.46   3.159% *  0.0243% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   23 - HA    ALA   34  13.85 +/- 1.89   0.400% *  0.1080% (0.89   1.0  1.00   0.02   0.02) =   0.001%
        T QB    ALA   34 - HA    ALA  124  21.18 +/- 4.76   0.152% *  0.2244% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA   34  20.06 +/- 3.11   0.217% *  0.0791% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA  124  24.65 +/- 6.48   0.261% *  0.0248% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA  124  16.01 +/- 2.41   0.255% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA  124  26.20 +/- 8.27   0.350% *  0.0132% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA   34  20.85 +/- 2.48   0.125% *  0.0303% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ALA  124  19.83 +/- 5.71   0.236% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA  124  23.65 +/- 3.37   0.085% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA  124  22.26 +/- 2.90   0.100% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 307 (4.13, 1.28, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 25.1:
    * O T HA    ALA   34 - QB    ALA   34   2.13 +/- 0.01  89.611% * 98.8230% (0.80  10.0 10.00   1.93  25.14) =  99.992%  kept
          HA    ASN   28 - QB    ALA   34   6.86 +/- 0.47   2.842% *  0.1092% (0.89   1.0  1.00   0.02   0.02) =   0.004%
          HA1   GLY  101 - QB    ALA   34  11.30 +/- 5.33   1.944% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ALA  124 - QB    ALA   34  21.18 +/- 4.76   0.179% *  0.6683% (0.54   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLU-  36 - QB    ALA   34   6.57 +/- 0.18   3.088% *  0.0170% (0.14   1.0  1.00   0.02   0.32) =   0.001%
          HA    THR   26 - QB    ALA   34   9.33 +/- 1.08   1.377% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   34  17.81 +/- 2.31   0.208% *  0.1080% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   34  20.14 +/- 3.56   0.187% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA   34  17.07 +/- 3.93   0.438% *  0.0245% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   34  20.31 +/- 2.60   0.127% *  0.0624% (0.51   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 308 (1.28, 1.28, 18.57 ppm):
    1 diagonal assignment:
    *     QB    ALA   34 - QB    ALA   34  (0.80)  kept
 
    Peak 309 (4.38, 4.38, 56.42 ppm):
    3 diagonal assignments:
    *     HA    ASN   35 - HA    ASN   35  (1.00)  kept
          HA    LEU   40 - HA    LEU   40  (0.14)  kept
          HA    GLU-  15 - HA    GLU-  15  (0.04)  kept
 
    Peak 310 (2.95, 4.38, 56.42 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.02, residual support = 54.6:
    * O T HB2   ASN   35 - HA    ASN   35   2.67 +/- 0.18  72.444% * 98.4270% (1.00  10.0 10.00   4.02  54.66) =  99.973%  kept
        T HB2   ASN   35 - HA    LEU   40  10.18 +/- 1.02   1.847% *  0.3690% (0.37   1.0 10.00   0.02   0.02) =   0.010%
        T HB2   ASN   35 - HA    GLU-  15  14.34 +/- 4.13   2.939% *  0.1825% (0.19   1.0 10.00   0.02   0.02) =   0.008%
        T HB2   ASN   28 - HA    ASN   35  13.18 +/- 1.30   0.679% *  0.4413% (0.45   1.0 10.00   0.02   0.02) =   0.004%
          QE    LYS+  33 - HA    ASN   35   7.91 +/- 1.20   3.693% *  0.0336% (0.34   1.0  1.00   0.02   5.09) =   0.002%
        T HB2   ASN   28 - HA    LEU   40  15.44 +/- 1.85   0.523% *  0.1654% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    GLU-  15   8.01 +/- 2.88  10.691% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HA    ASN   35  21.10 +/- 6.24   0.372% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    GLU-  15  17.27 +/- 2.14   0.334% *  0.0818% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    LEU   40  10.87 +/- 2.15   1.745% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   35  20.12 +/- 2.88   0.227% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LEU   40  18.51 +/- 4.90   0.375% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  15  16.04 +/- 4.72   0.916% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    LEU   40  15.96 +/- 1.69   0.399% *  0.0224% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    LEU   40  14.35 +/- 3.35   0.922% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    ASN   35  20.45 +/- 3.33   0.229% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  15  22.95 +/- 4.82   0.248% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    ASN   35  18.53 +/- 3.57   0.272% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    LEU   40  14.26 +/- 3.42   0.667% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    GLU-  15  19.83 +/- 3.22   0.255% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    GLU-  15  21.61 +/- 3.78   0.223% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 312 (2.95, 2.95, 38.12 ppm):
    2 diagonal assignments:
    *     HB2   ASN   35 - HB2   ASN   35  (1.00)  kept
          HB2   ASN   28 - HB2   ASN   28  (0.14)  kept
 
    Peak 313 (4.10, 4.10, 58.69 ppm):
    1 diagonal assignment:
    *     HA    GLU-  36 - HA    GLU-  36  (1.00)  kept
 
    Peak 314 (2.15, 4.10, 58.69 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.55, residual support = 86.2:
    * O T QB    GLU-  36 - HA    GLU-  36   2.40 +/- 0.18  96.950% * 98.9106% (1.00  10.0 10.00   5.55  86.24) =  99.992%  kept
        T HB3   GLU-  29 - HA    GLU-  36  12.47 +/- 1.22   0.793% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.007%
          HB3   GLU-  79 - HA    GLU-  36  24.41 +/- 5.23   0.386% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  36  14.79 +/- 1.01   0.456% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  36  15.46 +/- 8.26   1.139% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  36  29.71 +/- 5.62   0.276% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 316 (2.46, 4.10, 58.69 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.2:
    * O T HG2   GLU-  36 - HA    GLU-  36   2.99 +/- 0.77  96.966% * 99.8378% (1.00  10.0 10.00   3.62  86.24) =  99.999%  kept
          HG3   MET   96 - HA    GLU-  36  21.80 +/- 4.07   0.723% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HA    GLU-  36  24.58 +/- 6.47   2.038% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  36  24.82 +/- 2.14   0.273% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 317 (2.31, 4.10, 58.69 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.2:
    * O T HG3   GLU-  36 - HA    GLU-  36   3.04 +/- 0.61  96.051% * 99.2256% (1.00  10.0 10.00   3.62  86.24) =  99.990%  kept
        T QB    MET   11 - HA    GLU-  36  17.03 +/- 5.16   2.153% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.008%
          HB2   GLU-  79 - HA    GLU-  36  24.49 +/- 5.21   0.805% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   92 - HA    GLU-  36  30.46 +/- 4.50   0.244% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  36  26.82 +/- 2.59   0.200% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU-  36  20.79 +/- 1.26   0.395% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  36  32.58 +/- 3.75   0.153% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 328 (4.10, 2.46, 36.40 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.2:
    * O T HA    GLU-  36 - HG2   GLU-  36   2.99 +/- 0.77  93.188% * 99.7630% (1.00  10.0 10.00   3.62  86.24) =  99.993%  kept
          HA    LYS+  81 - HG2   GLU-  36  26.69 +/- 6.83   5.835% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.006%
          HA    ALA  124 - HG2   GLU-  36  29.17 +/- 7.28   0.298% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   GLU-  36  30.64 +/- 4.87   0.221% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   GLU-  36  21.84 +/- 3.60   0.459% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 329 (2.15, 2.46, 36.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 86.2:
    * O T QB    GLU-  36 - HG2   GLU-  36   2.39 +/- 0.13  96.445% * 98.9106% (1.00  10.0 10.00   4.28  86.24) =  99.988%  kept
        T HB3   GLU-  29 - HG2   GLU-  36  11.70 +/- 2.21   1.175% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.011%
          HB3   GLU-  79 - HG2   GLU-  36  23.91 +/- 5.26   0.630% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HG2   GLU-  36  13.98 +/- 2.15   0.591% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  36  29.87 +/- 5.55   0.289% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG2   GLU-  36  15.90 +/- 7.95   0.870% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 331 (2.46, 2.46, 36.40 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  36 - HG2   GLU-  36  (1.00)  kept
 
    Peak 332 (2.31, 2.46, 36.40 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 86.2:
    * O T HG3   GLU-  36 - HG2   GLU-  36   1.75 +/- 0.00  99.369% * 99.2256% (1.00  10.0 10.00   3.00  86.24) =  99.999%  kept
        T QB    MET   11 - HG2   GLU-  36  16.26 +/- 5.09   0.316% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HG2   GLU-  36  24.03 +/- 5.25   0.158% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   GLU-  36  20.07 +/- 1.96   0.072% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  36  30.55 +/- 4.33   0.031% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  36  27.05 +/- 2.84   0.030% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  36  32.63 +/- 4.07   0.023% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 333 (4.10, 2.31, 36.40 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.2:
    * O T HA    GLU-  36 - HG3   GLU-  36   3.04 +/- 0.61  85.306% * 99.6097% (1.00  10.0 10.00   3.62  86.24) =  99.985%  kept
          HA    LYS+  81 - HG3   GLU-  36  26.96 +/- 7.29  10.193% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.012%
        T HA    GLU-  36 - QB    MET   11  17.03 +/- 5.16   1.902% *  0.1241% (0.12   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA  124 - HG3   GLU-  36  29.59 +/- 7.32   0.240% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG3   GLU-  36  21.92 +/- 3.69   0.388% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG3   GLU-  36  30.95 +/- 4.82   0.146% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    MET   11  28.37 +/- 6.28   0.540% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    MET   11  30.08 +/- 7.73   0.478% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    MET   11  22.14 +/- 4.36   0.684% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    MET   11  31.67 +/- 4.58   0.124% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 334 (2.15, 2.31, 36.40 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 86.2:
    * O   QB    GLU-  36 - HG3   GLU-  36   2.37 +/- 0.15  92.866% * 99.4418% (1.00  10.0  1.00   4.28  86.24) =  99.997%  kept
          HB3   GLU-  29 - HG3   GLU-  36  11.98 +/- 1.85   0.986% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HG3   GLU-  36  24.15 +/- 5.37   0.621% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLN   90 - QB    MET   11  32.38 +/- 6.87   0.315% *  0.0851% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   GLU-  36  14.30 +/- 1.72   0.514% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - QB    MET   11  24.48 +/- 5.23   0.155% *  0.1228% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   GLU-  36  30.29 +/- 5.68   0.230% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QB    MET   11  14.09 +/- 4.45   1.256% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG3   GLU-  36  16.43 +/- 7.80   0.777% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QB    MET   11  17.27 +/- 4.12   0.726% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QB    MET   11  18.88 +/- 4.51   0.842% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QB    MET   11  23.65 +/- 7.15   0.713% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.05 A, kept.
 
    Peak 336 (2.46, 2.31, 36.40 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 86.2:
    * O T HG2   GLU-  36 - HG3   GLU-  36   1.75 +/- 0.00  99.346% * 99.6937% (1.00  10.0 10.00   3.00  86.24) =  99.999%  kept
        T HG2   GLU-  36 - QB    MET   11  16.26 +/- 5.09   0.316% *  0.1242% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  36  22.63 +/- 3.83   0.063% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  36  24.92 +/- 2.81   0.039% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   GLU-  36  25.06 +/- 6.38   0.110% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    MET   11  27.39 +/- 4.02   0.035% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    MET   11  25.78 +/- 3.43   0.039% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    MET   11  28.13 +/- 6.47   0.052% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 337 (2.31, 2.31, 36.40 ppm):
    2 diagonal assignments:
    *     HG3   GLU-  36 - HG3   GLU-  36  (1.00)  kept
          QB    MET   11 - QB    MET   11  (0.05)  kept
 
    Peak 338 (4.42, 4.42, 58.68 ppm):
    3 diagonal assignments:
    *     HA    SER   37 - HA    SER   37  (1.00)  kept
          HA    THR   46 - HA    THR   46  (0.98)  kept
          HA    SER   13 - HA    SER   13  (0.30)  kept
 
    Peak 339 (4.03, 4.42, 58.68 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 2.58, residual support = 29.7:
    * O T HB2   SER   37 - HA    SER   37   2.90 +/- 0.15  78.216% * 98.0025% (1.00  10.0 10.00   2.58  29.69) =  99.977%  kept
        T HB2   SER   37 - HA    SER   13  15.52 +/- 5.60   1.566% *  0.5237% (0.53   1.0 10.00   0.02   0.02) =   0.011%
          HA1   GLY   16 - HA    SER   37  11.97 +/- 4.58   2.712% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   SER   37 - HA    THR   46  22.89 +/- 2.92   0.203% *  0.9710% (0.99   1.0 10.00   0.02   0.02) =   0.003%
          HA    LYS+  33 - HA    SER   37   7.41 +/- 1.21   7.890% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   70 - HA    SER   37  11.51 +/- 2.25   2.103% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HA    THR   46  13.99 +/- 3.50   2.105% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - HA    SER   13  10.22 +/- 1.10   2.017% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HA    THR   46  17.15 +/- 1.81   0.436% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    THR   46  22.37 +/- 4.48   0.237% *  0.0811% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   13  14.74 +/- 4.17   1.418% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   13  18.01 +/- 4.91   0.507% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    THR   46  24.29 +/- 3.75   0.365% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   37  26.67 +/- 3.44   0.134% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   13  29.99 +/- 4.16   0.091% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 340 (3.88, 4.42, 58.68 ppm):
    18 chemical-shift based assignments, quality = 0.661, support = 2.34, residual support = 21.3:
    * O T HB3   SER   37 - HA    SER   37   2.70 +/- 0.24  37.625% * 66.5967% (0.84  10.0 10.00   2.58  29.69) =  64.113%  kept
      O T QB    SER   13 - HA    SER   13   2.43 +/- 0.12  50.306% * 27.5613% (0.35  10.0 10.00   1.93   6.22) =  35.476%  kept
          HB    THR   39 - HA    SER   37   5.96 +/- 0.91   4.570% *  3.2782% (0.69   1.0  1.00   1.20   4.22) =   0.383%  kept
        T QB    SER   13 - HA    SER   37  14.06 +/- 4.95   0.874% *  0.5158% (0.65   1.0 10.00   0.02   0.02) =   0.012%
          HA    ILE   89 - HA    THR   46   9.10 +/- 2.34   4.017% *  0.0660% (0.83   1.0  1.00   0.02   0.02) =   0.007%
        T HB3   SER   37 - HA    SER   13  15.29 +/- 5.41   0.537% *  0.3559% (0.45   1.0 10.00   0.02   0.02) =   0.005%
          HB    THR  118 - HA    THR   46  13.37 +/- 2.71   0.856% *  0.0788% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   SER   37 - HA    THR   46  23.60 +/- 2.90   0.067% *  0.6599% (0.83   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER   13 - HA    THR   46  25.18 +/- 4.21   0.054% *  0.5111% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   39 - HA    SER   13  16.96 +/- 5.85   0.329% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  24.59 +/- 3.87   0.087% *  0.0796% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  25.74 +/- 3.98   0.087% *  0.0666% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  16.00 +/- 2.39   0.210% *  0.0269% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  20.57 +/- 1.87   0.087% *  0.0543% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  26.28 +/- 6.71   0.156% *  0.0272% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  28.61 +/- 4.10   0.038% *  0.0425% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  29.61 +/- 4.70   0.037% *  0.0356% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  27.61 +/- 6.05   0.065% *  0.0145% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 341 (4.42, 4.03, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 2.58, residual support = 29.6:
    * O T HA    SER   37 - HB2   SER   37   2.90 +/- 0.15  82.213% * 96.8256% (1.00  10.0 10.00   2.58  29.69) =  99.837%  kept
          HA    LEU   40 - HB2   SER   37   7.36 +/- 1.16   8.107% *  1.4052% (0.38   1.0  1.00   0.77   0.71) =   0.143%  kept
        T HA    SER   13 - HB2   SER   37  15.52 +/- 5.60   1.641% *  0.5482% (0.57   1.0 10.00   0.02   0.02) =   0.011%
          HA    GLU-  15 - HB2   SER   37  10.94 +/- 4.65   4.267% *  0.0548% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLN   17 - HB2   SER   37  12.46 +/- 3.99   2.259% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.003%
        T HA    THR   46 - HB2   SER   37  22.89 +/- 2.92   0.214% *  0.9597% (0.99   1.0 10.00   0.02   0.02) =   0.003%
          HA    VAL   42 - HB2   SER   37  12.64 +/- 1.21   1.060% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   SER   37  21.93 +/- 2.74   0.239% *  0.0509% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 342 (4.03, 4.03, 64.19 ppm):
    1 diagonal assignment:
    *     HB2   SER   37 - HB2   SER   37  (1.00)  kept
 
    Peak 343 (3.88, 4.03, 64.19 ppm):
    6 chemical-shift based assignments, quality = 0.833, support = 1.99, residual support = 29.3:
    * O T HB3   SER   37 - HB2   SER   37   1.75 +/- 0.00  80.566% * 93.2813% (0.84  10.0 10.00   2.00  29.69) =  98.623%  kept
          HB    THR   39 - HB2   SER   37   3.97 +/- 1.31  18.089% *  5.7534% (0.69   1.0  1.00   1.50   4.22) =   1.366%  kept
        T QB    SER   13 - HB2   SER   37  13.69 +/- 4.89   1.109% *  0.7225% (0.65   1.0 10.00   0.02   0.02) =   0.011%
          HB    THR  118 - HB2   SER   37  22.53 +/- 3.55   0.065% *  0.1114% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   37  23.59 +/- 3.74   0.076% *  0.0933% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   SER   37  24.48 +/- 6.19   0.095% *  0.0381% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 344 (4.42, 3.88, 64.19 ppm):
    16 chemical-shift based assignments, quality = 0.661, support = 2.34, residual support = 21.1:
    * O T HA    SER   37 - HB3   SER   37   2.70 +/- 0.24  37.472% * 67.6212% (0.84  10.0 10.00   2.58  29.69) =  63.239%  kept
      O T HA    SER   13 - QB    SER   13   2.43 +/- 0.12  50.149% * 29.2964% (0.36  10.0 10.00   1.93   6.22) =  36.667%  kept
          HA    GLU-  15 - QB    SER   13   6.42 +/- 1.13   4.161% *  0.6613% (0.36   1.0  1.00   0.45   0.02) =   0.069%
        T HA    SER   37 - QB    SER   13  14.06 +/- 4.95   0.869% *  0.5175% (0.64   1.0 10.00   0.02   0.02) =   0.011%
        T HA    SER   13 - HB3   SER   37  15.29 +/- 5.41   0.534% *  0.3828% (0.47   1.0 10.00   0.02   0.02) =   0.005%
          HA    LEU   40 - HB3   SER   37   8.16 +/- 1.57   2.799% *  0.0254% (0.31   1.0  1.00   0.02   0.71) =   0.002%
          HA    GLN   17 - QB    SER   13   9.90 +/- 1.90   1.299% *  0.0517% (0.64   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  15 - HB3   SER   37  10.96 +/- 4.32   1.192% *  0.0383% (0.47   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   46 - HB3   SER   37  23.60 +/- 2.90   0.067% *  0.6702% (0.83   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB3   SER   37  12.69 +/- 3.69   0.576% *  0.0676% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   46 - QB    SER   13  25.18 +/- 4.21   0.054% *  0.5129% (0.63   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   SER   37  13.34 +/- 1.55   0.353% *  0.0410% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  17.53 +/- 3.66   0.211% *  0.0194% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    SER   13  19.42 +/- 2.81   0.120% *  0.0314% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  22.62 +/- 2.74   0.076% *  0.0356% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  23.39 +/- 3.75   0.068% *  0.0272% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 345 (4.03, 3.88, 64.19 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 29.7:
    * O T HB2   SER   37 - HB3   SER   37   1.75 +/- 0.00  91.477% * 98.1382% (0.84  10.0 10.00   2.00  29.69) =  99.981%  kept
        T HB2   SER   37 - QB    SER   13  13.69 +/- 4.89   1.238% *  0.7510% (0.64   1.0 10.00   0.02   0.02) =   0.010%
        T HA    VAL   70 - HB3   SER   37  10.24 +/- 2.62   0.921% *  0.4777% (0.41   1.0 10.00   0.02   0.02) =   0.005%
          HA1   GLY   16 - HB3   SER   37  10.83 +/- 4.27   1.379% *  0.0820% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - HB3   SER   37   6.91 +/- 1.47   3.183% *  0.0218% (0.19   1.0  1.00   0.02   0.02) =   0.001%
        T HA    VAL   70 - QB    SER   13  16.10 +/- 4.12   0.168% *  0.3655% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - QB    SER   13   9.28 +/- 1.36   0.896% *  0.0627% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QB    SER   13  12.83 +/- 3.71   0.659% *  0.0167% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   37  25.25 +/- 3.52   0.045% *  0.0478% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    SER   13  26.90 +/- 3.99   0.034% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 346 (3.88, 3.88, 64.19 ppm):
    2 diagonal assignments:
    *     HB3   SER   37 - HB3   SER   37  (0.70)  kept
          QB    SER   13 - QB    SER   13  (0.41)  kept
 
    Peak 347 (3.78, 3.78, 58.04 ppm):
    2 diagonal assignments:
    *     HA    LYS+  38 - HA    LYS+  38  (1.00)  kept
          HA    GLU- 100 - HA    GLU- 100  (0.01)  kept
 
    Peak 348 (2.18, 3.78, 58.04 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.82, residual support = 219.7:
    * O T HB2   LYS+  38 - HA    LYS+  38   2.82 +/- 0.17  65.891% * 99.6880% (1.00  10.0 10.00   6.83 219.76) =  99.981%  kept
        T HB2   LYS+  38 - HA    GLU- 100  13.17 +/- 9.69  15.343% *  0.0602% (0.06   1.0 10.00   0.02   0.02) =   0.014%
          QG    GLN   17 - HA    LYS+  38  13.98 +/- 4.06   9.355% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.004%
          HG3   GLU-  29 - HA    LYS+  38  15.51 +/- 1.54   0.450% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  38  13.51 +/- 1.47   0.693% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  12.22 +/- 1.57   1.056% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  19.27 +/- 1.90   0.232% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  38  25.97 +/- 4.35   0.146% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU- 100  17.59 +/- 5.66   1.309% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  19.92 +/- 5.81   1.699% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  16.54 +/- 5.58   2.278% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU- 100  16.66 +/- 5.20   0.849% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  16.93 +/- 5.45   0.591% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU- 100  24.67 +/- 2.11   0.107% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 349 (1.88, 3.78, 58.04 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.89, residual support = 219.7:
    * O T HB3   LYS+  38 - HA    LYS+  38   2.66 +/- 0.21  65.148% * 98.2125% (1.00  10.0 10.00   5.89 219.76) =  99.959%  kept
        T HG3   PRO   68 - HA    LYS+  38  16.02 +/- 3.44   5.028% *  0.2187% (0.22   1.0 10.00   0.02   0.02) =   0.017%
        T HB3   LYS+  38 - HA    GLU- 100  12.64 +/- 9.95  16.690% *  0.0593% (0.06   1.0 10.00   0.02   0.02) =   0.015%
          HB3   GLN   30 - HA    LYS+  38  11.07 +/- 1.93   2.314% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  33 - HA    LYS+  38   8.13 +/- 0.57   2.589% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   PRO   58 - HA    LYS+  38  24.28 +/- 3.71   0.148% *  0.6353% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HA    LYS+  38  22.73 +/- 5.75   0.556% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  38  28.75 +/- 4.75   0.085% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  38  18.21 +/- 3.35   0.250% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  38  17.65 +/- 4.38   0.369% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  38  25.11 +/- 3.79   0.109% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  38  17.43 +/- 5.74   0.363% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  38  26.11 +/- 3.47   0.089% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  38  25.66 +/- 4.45   0.135% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLU- 100  13.00 +/- 4.99   1.828% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU- 100  14.70 +/- 4.34   0.789% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    GLU- 100  25.64 +/- 3.31   0.098% *  0.0384% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU- 100  13.80 +/- 0.82   0.524% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU- 100  10.36 +/- 0.68   1.253% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLU- 100  21.81 +/- 5.34   0.405% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU- 100  13.40 +/- 0.96   0.604% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU- 100  25.93 +/- 2.59   0.081% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU- 100  20.98 +/- 6.39   0.303% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU- 100  26.12 +/- 1.70   0.080% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU- 100  24.13 +/- 2.34   0.104% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU- 100  30.04 +/- 3.92   0.057% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 350 (1.32, 3.78, 58.04 ppm):
    22 chemical-shift based assignments, quality = 0.981, support = 6.89, residual support = 216.0:
    * O T HG2   LYS+  38 - HA    LYS+  38   2.66 +/- 0.61  52.745% * 93.0706% (1.00  10.0 10.00   6.92 219.76) =  97.968%  kept
        T HG2   LYS+  99 - HA    GLU- 100   4.47 +/- 0.60  17.563% *  5.5125% (0.06   1.0 10.00   5.85  38.54) =   1.932%  kept
        T HG2   LYS+  99 - HA    LYS+  38  12.33 +/- 8.70   4.621% *  0.9123% (0.98   1.0 10.00   0.02   0.02) =   0.084%
        T HG2   LYS+  38 - HA    GLU- 100  12.79 +/- 9.52   6.838% *  0.0562% (0.06   1.0 10.00   0.02   0.02) =   0.008%
          HB2   LEU   31 - HA    LYS+  38   9.46 +/- 1.99   1.915% *  0.0676% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   80 - HA    LYS+  38  21.86 +/- 6.22   1.358% *  0.0527% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - HA    LYS+  38  17.87 +/- 4.08   1.668% *  0.0417% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - HA    LYS+  38  19.96 +/- 3.86   0.764% *  0.0777% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    LYS+  38  14.03 +/- 6.43   1.395% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    GLU- 100  12.71 +/- 6.28   2.950% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  38  17.20 +/- 2.19   0.280% *  0.0417% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  38  22.11 +/- 5.96   0.468% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  38  17.99 +/- 1.70   0.278% *  0.0317% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  38  28.61 +/- 2.83   0.057% *  0.0745% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU- 100   7.25 +/- 1.84   4.506% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    GLU- 100  17.52 +/- 3.74   1.003% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    GLU- 100  20.46 +/- 6.10   0.586% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    GLU- 100  17.19 +/- 2.43   0.293% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU- 100  19.54 +/- 3.23   0.242% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    GLU- 100  18.72 +/- 1.97   0.211% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU- 100  26.97 +/- 2.62   0.063% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU- 100  22.99 +/- 6.24   0.199% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.09 A, kept.
 
    Peak 351 (1.26, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 0.983, support = 6.6, residual support = 203.4:
    * O T HG3   LYS+  38 - HA    LYS+  38   3.28 +/- 0.52  31.432% * 78.6260% (1.00  10.0 10.00   6.85 219.76) =  91.837%  kept
          QG2   THR   39 - HA    LYS+  38   5.25 +/- 0.43   9.065% * 16.5291% (0.90   1.0  1.00   4.69  22.99) =   5.568%  kept
          QB    ALA   34 - HA    LYS+  38   4.24 +/- 0.95  20.225% *  2.4187% (0.80   1.0  1.00   0.77   0.02) =   1.818%  kept
        T HG3   LYS+  99 - HA    GLU- 100   5.26 +/- 0.67  10.892% *  1.7831% (0.02   1.0 10.00   4.97  38.54) =   0.722%  kept
        T HG3   LYS+  99 - HA    LYS+  38  12.40 +/- 8.41   2.723% *  0.2951% (0.38   1.0 10.00   0.02   0.02) =   0.030%
        T HG3   LYS+  38 - HA    GLU- 100  13.05 +/-10.37  10.948% *  0.0475% (0.06   1.0 10.00   0.02   0.02) =   0.019%
          HG13  ILE   19 - HA    LYS+  38  12.77 +/- 3.02   1.129% *  0.0445% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   71 - HA    LYS+  38  10.66 +/- 2.27   1.736% *  0.0243% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   34 - HA    GLU- 100   9.59 +/- 5.60   4.989% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HA    LYS+  38  21.65 +/- 2.71   0.228% *  0.0705% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    LYS+  38  20.95 +/- 3.28   0.213% *  0.0744% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HA    GLU- 100  11.28 +/- 6.53   3.628% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   23 - HA    LYS+  38  17.08 +/- 1.91   0.282% *  0.0353% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  38  18.04 +/- 2.83   0.309% *  0.0268% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    GLU- 100  17.48 +/- 4.25   0.601% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    GLU- 100  16.59 +/- 4.21   0.373% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    GLU- 100  16.84 +/- 6.58   0.547% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    GLU- 100  21.73 +/- 2.55   0.151% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    GLU- 100  19.43 +/- 3.21   0.388% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    GLU- 100  20.77 +/- 1.10   0.142% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.02 A, kept.
 
    Peak 352 (1.67, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 219.3:
    *   T QD    LYS+  38 - HA    LYS+  38   3.50 +/- 0.77  56.125% * 97.0123% (1.00 10.00   6.01 219.76) =  99.798%  kept
        T HB    VAL   83 - HA    LYS+  38  20.94 +/- 6.48   9.401% *  0.9362% (0.97 10.00   0.02   0.02) =   0.161%  kept
        T QD    LYS+  38 - HA    GLU- 100  11.91 +/- 8.37  20.936% *  0.0586% (0.06 10.00   0.02   0.02) =   0.022%
        T QD    LYS+  65 - HA    LYS+  38  18.93 +/- 2.14   0.453% *  0.8955% (0.92 10.00   0.02   0.02) =   0.007%
        T HD2   LYS+  74 - HA    LYS+  38  18.03 +/- 2.94   0.652% *  0.3309% (0.34 10.00   0.02   0.02) =   0.004%
          QD    LYS+ 102 - HA    LYS+  38  15.88 +/- 6.86   1.810% *  0.0777% (0.80  1.00   0.02   0.02) =   0.003%
        T HB    VAL   83 - HA    GLU- 100  19.07 +/- 5.63   1.221% *  0.0566% (0.06 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+  38  21.46 +/- 5.70   0.473% *  0.0870% (0.90  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HA    LYS+  38  29.23 +/- 2.69   0.121% *  0.2994% (0.31 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HA    GLU- 100   8.25 +/- 0.71   5.661% *  0.0047% (0.05  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    GLU- 100  21.93 +/- 2.66   0.315% *  0.0541% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+  38  24.90 +/- 5.48   0.298% *  0.0549% (0.57  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  38  25.69 +/- 3.53   0.261% *  0.0588% (0.61  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    GLU- 100  19.92 +/- 2.78   0.526% *  0.0200% (0.02 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  38  25.64 +/- 3.42   0.310% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    GLU- 100  20.94 +/- 6.63   0.650% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    GLU- 100  27.59 +/- 2.26   0.149% *  0.0181% (0.02 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    GLU- 100  25.38 +/- 5.89   0.292% *  0.0033% (0.03  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    GLU- 100  25.79 +/- 1.19   0.176% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    GLU- 100  25.67 +/- 1.35   0.170% *  0.0013% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.14 A, kept.
 
    Peak 353 (3.78, 2.18, 29.57 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 6.82, residual support = 219.6:
    * O T HA    LYS+  38 - HB2   LYS+  38   2.82 +/- 0.17  78.789% * 99.6785% (1.00  10.0 10.00   6.83 219.76) =  99.948%  kept
        T HA    GLU- 100 - HB2   LYS+  38  13.17 +/- 9.69  18.158% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.051%
          HA    VAL   83 - HB2   LYS+  38  23.91 +/- 7.01   2.594% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   24 - HB2   LYS+  38  18.97 +/- 2.33   0.324% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   LYS+  38  26.54 +/- 3.77   0.134% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 354 (2.18, 2.18, 29.57 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  38 - HB2   LYS+  38  (1.00)  kept
 
    Peak 355 (1.88, 2.18, 29.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.6, residual support = 219.8:
    * O T HB3   LYS+  38 - HB2   LYS+  38   1.75 +/- 0.00  97.364% * 98.9214% (1.00  10.0 10.00   5.60 219.76) =  99.998%  kept
          QB    LYS+  81 - HB2   LYS+  38  24.53 +/- 6.34   0.665% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB2   LYS+  38  27.82 +/- 4.83   0.065% *  0.4815% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   LYS+  38  13.22 +/- 1.76   0.324% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   LYS+  38   9.26 +/- 0.48   0.680% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LYS+  38  16.62 +/- 3.33   0.462% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   LYS+  38  20.16 +/- 3.51   0.079% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LYS+  38  26.76 +/- 4.03   0.035% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LYS+  38  19.55 +/- 4.55   0.100% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LYS+  38  19.52 +/- 6.03   0.118% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   LYS+  38  25.78 +/- 3.92   0.045% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   LYS+  38  28.24 +/- 3.65   0.032% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LYS+  38  30.33 +/- 5.22   0.029% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (1.32, 2.18, 29.57 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 6.6, residual support = 219.6:
    * O T HG2   LYS+  38 - HB2   LYS+  38   2.62 +/- 0.14  84.705% * 98.5858% (1.00  10.0 10.00   6.61 219.76) =  99.948%  kept
        T HG2   LYS+  99 - HB2   LYS+  38  13.87 +/- 9.18   3.950% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.046%
          HB3   LEU   80 - HB2   LYS+  38  23.98 +/- 6.67   2.907% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - HB2   LYS+  38  11.71 +/- 2.15   2.038% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   77 - HB2   LYS+  38  19.52 +/- 4.67   2.908% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   88 - HB2   LYS+  38  21.79 +/- 4.22   0.644% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HB2   LYS+  38  22.57 +/- 6.59   1.153% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+  38  16.28 +/- 6.55   1.106% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  38  18.70 +/- 2.42   0.294% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  38  20.08 +/- 1.85   0.234% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  38  30.45 +/- 2.89   0.061% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 357 (1.26, 2.18, 29.57 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 5.98, residual support = 214.4:
    * O T HG3   LYS+  38 - HB2   LYS+  38   2.70 +/- 0.34  75.452% * 81.9040% (1.00  10.0 10.00   6.04 219.76) =  97.283%  kept
          QG2   THR   39 - HB2   LYS+  38   5.73 +/- 0.89  10.304% * 15.1057% (0.90   1.0  1.00   4.11  22.99) =   2.450%  kept
          QB    ALA   34 - HB2   LYS+  38   6.34 +/- 0.71   6.552% *  2.3957% (0.80   1.0  1.00   0.73   0.02) =   0.247%  kept
        T HG3   LYS+  99 - HB2   LYS+  38  13.93 +/- 8.86   3.642% *  0.3074% (0.38   1.0 10.00   0.02   0.02) =   0.018%
          HG    LEU   71 - HB2   LYS+  38  11.65 +/- 2.89   2.303% *  0.0253% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HB2   LYS+  38  14.09 +/- 3.35   0.939% *  0.0464% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HB2   LYS+  38  22.35 +/- 3.41   0.158% *  0.0775% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB2   LYS+  38  18.72 +/- 1.91   0.278% *  0.0367% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  38  23.43 +/- 2.99   0.139% *  0.0735% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  38  19.93 +/- 3.10   0.233% *  0.0279% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 359 (3.78, 1.88, 29.57 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 5.89, residual support = 219.6:
    * O T HA    LYS+  38 - HB3   LYS+  38   2.66 +/- 0.21  77.403% * 99.5407% (1.00  10.0 10.00   5.89 219.76) =  99.942%  kept
        T HA    GLU- 100 - HB3   LYS+  38  12.64 +/- 9.95  19.752% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.057%
          HA    VAL   83 - HB3   LYS+  38  23.25 +/- 7.09   2.365% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   24 - HB3   LYS+  38  18.79 +/- 2.69   0.342% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   LYS+  38  25.73 +/- 3.93   0.137% *  0.1536% (0.15   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (2.18, 1.88, 29.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.6, residual support = 219.8:
    * O T HB2   LYS+  38 - HB3   LYS+  38   1.75 +/- 0.00  97.652% * 99.2933% (1.00  10.0 10.00   5.60 219.76) =  99.999%  kept
          QG    GLN   17 - HB3   LYS+  38  15.01 +/- 4.43   1.646% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB3   LYS+  38  27.15 +/- 4.53   0.048% *  0.5224% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   LYS+  38  17.71 +/- 1.83   0.111% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   LYS+  38  12.78 +/- 1.82   0.321% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   LYS+  38  15.75 +/- 1.66   0.160% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   LYS+  38  21.42 +/- 2.24   0.062% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 361 (1.88, 1.88, 29.57 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  38 - HB3   LYS+  38  (1.00)  kept
 
    Peak 362 (1.32, 1.88, 29.57 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 219.4:
    * O T HG2   LYS+  38 - HB3   LYS+  38   3.02 +/- 0.06  74.484% * 98.5858% (1.00  10.0 10.00   5.64 219.76) =  99.839%  kept
        T HG2   LYS+  99 - HB3   LYS+  38  13.03 +/- 9.61  11.610% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.153%  kept
          HB2   LEU   31 - HB3   LYS+  38  11.72 +/- 2.39   3.305% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   80 - HB3   LYS+  38  23.44 +/- 6.59   2.993% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   77 - HB3   LYS+  38  19.06 +/- 4.12   1.427% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HB3   LYS+  38  22.07 +/- 6.71   2.843% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - HB3   LYS+  38  20.98 +/- 4.17   0.554% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HB3   LYS+  38  15.43 +/- 6.83   1.920% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  38  17.96 +/- 2.45   0.447% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  38  19.22 +/- 1.86   0.321% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  38  29.25 +/- 3.03   0.095% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 363 (1.26, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 5.46, residual support = 215.7:
    * O T HG3   LYS+  38 - HB3   LYS+  38   2.55 +/- 0.16  74.910% * 82.9358% (1.00  10.0 10.00   5.50 219.76) =  97.946%  kept
          QG2   THR   39 - HB3   LYS+  38   5.68 +/- 0.73   8.419% * 14.2451% (0.90   1.0  1.00   3.83  22.99) =   1.891%  kept
          QB    ALA   34 - HB3   LYS+  38   6.32 +/- 0.85   5.794% *  1.5108% (0.80   1.0  1.00   0.45   0.02) =   0.138%  kept
        T HG3   LYS+  99 - HB3   LYS+  38  13.08 +/- 9.27   3.976% *  0.3113% (0.38   1.0 10.00   0.02   0.02) =   0.020%
        T QG2   ILE   56 - HB3   LYS+  38  21.54 +/- 3.43   0.178% *  0.7845% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   71 - HB3   LYS+  38  11.49 +/- 3.01   5.379% *  0.0256% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HB3   LYS+  38  14.36 +/- 3.53   0.685% *  0.0470% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HB3   LYS+  38  22.54 +/- 2.86   0.191% *  0.0744% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB3   LYS+  38  18.80 +/- 2.15   0.223% *  0.0372% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB3   LYS+  38  19.49 +/- 2.96   0.245% *  0.0283% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 364 (1.67, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 219.7:
    * O T QD    LYS+  38 - HB3   LYS+  38   2.48 +/- 0.32  83.263% * 98.0597% (1.00  10.0 10.00   4.63 219.76) =  99.978%  kept
          HB    VAL   83 - HB3   LYS+  38  22.52 +/- 6.99  14.190% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.016%
        T QD    LYS+  65 - HB3   LYS+  38  19.62 +/- 2.32   0.238% *  0.9052% (0.92   1.0 10.00   0.02   0.02) =   0.003%
        T HD2   LYS+  74 - HB3   LYS+  38  19.48 +/- 2.94   0.267% *  0.3345% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HB3   LYS+  38  16.58 +/- 7.55   0.821% *  0.0785% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HB3   LYS+  38  21.84 +/- 6.26   0.490% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HB3   LYS+  38  25.05 +/- 6.24   0.476% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LYS+  38  29.82 +/- 2.86   0.058% *  0.3027% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+  38  26.73 +/- 3.47   0.106% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LYS+  38  26.76 +/- 3.56   0.091% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 365 (3.78, 1.32, 25.69 ppm):
    10 chemical-shift based assignments, quality = 0.981, support = 6.89, residual support = 216.1:
    * O T HA    LYS+  38 - HG2   LYS+  38   2.66 +/- 0.61  62.696% * 93.7297% (1.00  10.0 10.00   6.92 219.76) =  97.966%  kept
        T HA    GLU- 100 - HG2   LYS+  99   4.47 +/- 0.60  20.900% *  5.6871% (0.06   1.0 10.00   5.85  38.54) =   1.981%  kept
        T HA    GLU- 100 - HG2   LYS+  38  12.79 +/- 9.52   8.109% *  0.2087% (0.22   1.0 10.00   0.02   0.02) =   0.028%
        T HA    LYS+  38 - HG2   LYS+  99  12.33 +/- 8.70   5.487% *  0.2554% (0.27   1.0 10.00   0.02   0.02) =   0.023%
          HA    VAL   83 - HG2   LYS+  38  23.65 +/- 7.08   1.578% *  0.0185% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   LYS+  38  18.21 +/- 2.83   0.268% *  0.0606% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   LYS+  99  18.33 +/- 4.72   0.520% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  38  26.51 +/- 3.77   0.091% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  99  20.97 +/- 4.26   0.232% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  99  23.85 +/- 3.14   0.118% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 366 (2.18, 1.32, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 219.7:
    * O T HB2   LYS+  38 - HG2   LYS+  38   2.62 +/- 0.14  85.391% * 99.4277% (1.00  10.0 10.00   6.61 219.76) =  99.985%  kept
        T HB2   LYS+  38 - HG2   LYS+  99  13.87 +/- 9.18   3.985% *  0.2710% (0.27   1.0 10.00   0.02   0.02) =   0.013%
          QG    GLN   17 - HG2   LYS+  38  15.07 +/- 4.09   1.619% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  38  16.41 +/- 2.14   0.466% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  99  16.25 +/- 5.82   3.993% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  38  14.40 +/- 1.81   0.710% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  38  13.69 +/- 1.80   0.805% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  99  19.56 +/- 5.17   0.552% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  38  20.40 +/- 2.43   0.228% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  38  28.04 +/- 4.50   0.142% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  99  21.59 +/- 5.33   0.571% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  99  15.20 +/- 5.92   0.908% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  99  18.47 +/- 4.89   0.515% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  99  24.76 +/- 1.61   0.113% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 367 (1.88, 1.32, 25.69 ppm):
    26 chemical-shift based assignments, quality = 0.999, support = 5.64, residual support = 219.6:
    * O T HB3   LYS+  38 - HG2   LYS+  38   3.02 +/- 0.06  68.199% * 98.9095% (1.00  10.0 10.00   5.64 219.76) =  99.948%  kept
        T HB3   LYS+  38 - HG2   LYS+  99  13.03 +/- 9.61  10.636% *  0.2696% (0.27   1.0 10.00   0.02   0.02) =   0.042%
          HB3   GLN   30 - HG2   LYS+  38  12.56 +/- 2.01   1.565% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - HG2   LYS+  38   8.94 +/- 0.95   3.216% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HG3   PRO   68 - HG2   LYS+  38  16.98 +/- 3.50   2.942% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HG2   LYS+  38  24.40 +/- 6.29   1.113% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HG2   LYS+  99  15.61 +/- 4.41   1.164% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   LYS+  99  14.27 +/- 4.93   1.912% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  99  12.44 +/- 1.13   1.091% *  0.0163% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  38  19.84 +/- 3.22   0.284% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  99  10.56 +/- 1.17   1.997% *  0.0083% (0.08   1.0  1.00   0.02   0.44) =   0.000%
          HB    ILE  103 - HG2   LYS+  99   9.68 +/- 0.87   2.270% *  0.0067% (0.07   1.0  1.00   0.02   0.73) =   0.000%
          HB    ILE   56 - HG2   LYS+  38  26.80 +/- 4.03   0.127% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  38  25.71 +/- 4.00   0.179% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  38  19.33 +/- 4.36   0.370% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  38  19.10 +/- 5.78   0.426% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  38  28.21 +/- 3.61   0.113% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  99  22.63 +/- 4.57   0.528% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  38  27.74 +/- 4.55   0.147% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  99  18.69 +/- 7.17   0.876% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  99  23.94 +/- 2.90   0.158% *  0.0260% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  99  23.59 +/- 3.99   0.226% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  38  30.48 +/- 5.09   0.099% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  99  25.41 +/- 1.19   0.118% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  99  24.17 +/- 1.82   0.142% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  99  28.33 +/- 3.75   0.101% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 368 (1.32, 1.32, 25.69 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  38 - HG2   LYS+  38  (1.00)  kept
          HG2   LYS+  99 - HG2   LYS+  99  (0.27)  kept
 
    Peak 369 (1.26, 1.32, 25.69 ppm):
    20 chemical-shift based assignments, quality = 0.916, support = 6.52, residual support = 214.3:
    * O T HG3   LYS+  38 - HG2   LYS+  38   1.75 +/- 0.00  46.111% * 76.4643% (1.00  10.0 10.00   6.54 219.76) =  90.121%  kept
      O T HG3   LYS+  99 - HG2   LYS+  99   1.75 +/- 0.00  46.111% *  7.8211% (0.10  10.0 10.00   6.53 175.13) =   9.218%  kept
          QG2   THR   39 - HG2   LYS+  38   6.34 +/- 1.13   1.749% * 14.4827% (0.90   1.0  1.00   4.22  22.99) =   0.647%  kept
        T HG3   LYS+  38 - HG2   LYS+  99  13.70 +/- 9.80   0.973% *  0.2084% (0.27   1.0 10.00   0.02   0.02) =   0.005%
          QB    ALA   34 - HG2   LYS+  38   5.89 +/- 1.09   1.898% *  0.0612% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+  99 - HG2   LYS+  38  13.69 +/- 8.53   0.377% *  0.2870% (0.38   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  74 - HG2   LYS+  99  18.86 +/- 3.88   0.322% *  0.0711% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  74 - HG2   LYS+  38  19.73 +/- 3.26   0.059% *  0.2608% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG2   LYS+  99  10.26 +/- 5.40   0.905% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG2   LYS+  99  11.26 +/- 6.57   0.547% *  0.0187% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  38  11.87 +/- 2.51   0.286% *  0.0236% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  38  14.00 +/- 3.03   0.143% *  0.0433% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  38  22.37 +/- 3.35   0.029% *  0.0723% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  38  18.14 +/- 2.15   0.050% *  0.0343% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  38  23.39 +/- 2.74   0.025% *  0.0686% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  99  16.65 +/- 4.68   0.129% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  99  16.09 +/- 6.54   0.143% *  0.0064% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  99  18.40 +/- 4.18   0.077% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  99  20.13 +/- 2.71   0.037% *  0.0197% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  99  20.37 +/- 0.68   0.030% *  0.0187% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 370 (1.67, 1.32, 25.69 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 219.7:
    * O T QD    LYS+  38 - HG2   LYS+  38   2.40 +/- 0.14  84.685% * 96.4250% (1.00  10.0 10.00   5.75 219.76) =  99.961%  kept
        T QD    LYS+  38 - HG2   LYS+  99  12.32 +/- 8.01   5.004% *  0.2628% (0.27   1.0 10.00   0.02   0.02) =   0.016%
        T QD    LYS+ 102 - HG2   LYS+  99   8.48 +/- 1.39   2.672% *  0.2104% (0.22   1.0 10.00   0.02   1.59) =   0.007%
        T QD    LYS+ 102 - HG2   LYS+  38  16.94 +/- 7.19   0.675% *  0.7721% (0.80   1.0 10.00   0.02   0.02) =   0.006%
          HB    VAL   83 - HG2   LYS+  38  22.87 +/- 7.03   3.536% *  0.0931% (0.97   1.0  1.00   0.02   0.02) =   0.004%
        T QD    LYS+  65 - HG2   LYS+  38  20.06 +/- 2.72   0.225% *  0.8901% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+  74 - HG2   LYS+  38  19.65 +/- 3.45   0.365% *  0.3289% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HG2   LYS+  99  19.32 +/- 3.37   0.612% *  0.0896% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG2   LYS+  99  20.46 +/- 3.13   0.173% *  0.2426% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HG2   LYS+  99  18.05 +/- 7.64   0.755% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  38  22.76 +/- 5.78   0.189% *  0.0865% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  38  30.92 +/- 2.72   0.045% *  0.2976% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  99  20.36 +/- 4.52   0.297% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  38  25.83 +/- 5.82   0.136% *  0.0546% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  99  25.58 +/- 2.47   0.078% *  0.0811% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  38  27.72 +/- 3.55   0.083% *  0.0585% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  99  22.42 +/- 6.81   0.209% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  38  27.72 +/- 3.53   0.097% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  99  24.48 +/- 0.98   0.085% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  99  24.84 +/- 0.75   0.080% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (3.78, 1.26, 25.69 ppm):
    10 chemical-shift based assignments, quality = 0.992, support = 6.83, residual support = 218.2:
    * O T HA    LYS+  38 - HG3   LYS+  38   3.28 +/- 0.52  55.038% * 97.3136% (1.00  10.0 10.00   6.85 219.76) =  99.143%  kept
        T HA    GLU- 100 - HG3   LYS+  99   5.26 +/- 0.67  18.645% *  2.2608% (0.02   1.0 10.00   4.97  38.54) =   0.780%  kept
        T HA    GLU- 100 - HG3   LYS+  38  13.05 +/-10.37  16.691% *  0.2167% (0.22   1.0 10.00   0.02   0.02) =   0.067%
        T HA    LYS+  38 - HG3   LYS+  99  12.40 +/- 8.41   4.533% *  0.1015% (0.10   1.0 10.00   0.02   0.02) =   0.009%
          HA    VAL   83 - HG3   LYS+  38  23.95 +/- 7.14   2.513% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   24 - HG3   LYS+  38  18.84 +/- 2.86   0.565% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   24 - HG3   LYS+  99  18.41 +/- 4.50   1.231% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  38  26.45 +/- 3.80   0.179% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  99  21.14 +/- 4.29   0.369% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  99  23.28 +/- 3.39   0.236% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.02 A, kept.
 
    Peak 372 (2.18, 1.26, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.04, residual support = 219.7:
    * O T HB2   LYS+  38 - HG3   LYS+  38   2.70 +/- 0.34  82.073% * 99.6340% (1.00  10.0 10.00   6.04 219.76) =  99.993%  kept
        T HB2   LYS+  38 - HG3   LYS+  99  13.93 +/- 8.86   3.970% *  0.1040% (0.10   1.0 10.00   0.02   0.02) =   0.005%
          QG    GLN   17 - HG3   LYS+  38  15.54 +/- 4.42   3.551% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HG3   LYS+  38  17.33 +/- 2.27   0.468% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  38  15.39 +/- 1.93   0.723% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  38  13.64 +/- 1.84   0.782% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  99  16.33 +/- 5.75   5.252% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  38  21.19 +/- 2.61   0.222% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  38  28.03 +/- 4.43   0.101% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  99  19.80 +/- 4.89   0.416% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  99  14.88 +/- 5.78   1.463% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  99  21.79 +/- 5.08   0.464% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  99  18.68 +/- 4.67   0.400% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  99  24.68 +/- 1.65   0.116% *  0.0055% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 373 (1.88, 1.26, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.5, residual support = 219.7:
    * O T HB3   LYS+  38 - HG3   LYS+  38   2.55 +/- 0.16  79.053% * 98.2474% (1.00  10.0 10.00   5.50 219.76) =  99.988%  kept
        T HB3   LYS+  38 - HG3   LYS+  99  13.08 +/- 9.27   4.175% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.006%
          QB    LYS+  81 - HG3   LYS+  38  24.56 +/- 6.34   2.743% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T HB    ILE   56 - HG3   LYS+  38  26.68 +/- 4.01   0.095% *  0.9482% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HG3   LYS+  38  13.40 +/- 1.99   0.786% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HG3   LYS+  38   9.99 +/- 0.84   1.459% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HG3   LYS+  38  16.73 +/- 3.72   1.491% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  99  23.37 +/- 3.16   0.130% *  0.0989% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  38  19.78 +/- 3.84   0.210% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  99  15.68 +/- 4.22   0.888% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  38  25.73 +/- 4.05   0.130% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  38  19.18 +/- 5.05   0.271% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  38  19.12 +/- 6.59   0.319% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  38  28.18 +/- 3.21   0.093% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  38  27.75 +/- 4.43   0.157% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  99   9.95 +/- 1.42   2.029% *  0.0032% (0.03   1.0  1.00   0.02   0.44) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  99  12.05 +/- 1.35   0.951% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   LYS+  99  14.46 +/- 4.66   1.224% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  99   9.50 +/- 1.10   1.958% *  0.0026% (0.03   1.0  1.00   0.02   0.73) =   0.000%
          QB    LYS+  81 - HG3   LYS+  99  22.62 +/- 4.64   0.533% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  38  30.33 +/- 5.08   0.076% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  99  18.33 +/- 7.10   0.737% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  99  23.04 +/- 4.25   0.193% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  99  25.14 +/- 1.24   0.090% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  99  24.10 +/- 1.88   0.112% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  99  27.83 +/- 4.05   0.098% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 374 (1.32, 1.26, 25.69 ppm):
    22 chemical-shift based assignments, quality = 0.916, support = 6.54, residual support = 215.6:
    * O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  46.998% * 89.3736% (1.00  10.0 10.00   6.54 219.76) =  90.700%  kept
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  46.998% *  9.1415% (0.10  10.0 10.00   6.53 175.13) =   9.277%  kept
        T HG2   LYS+  99 - HG3   LYS+  38  13.70 +/- 9.80   0.991% *  0.8760% (0.98   1.0 10.00   0.02   0.02) =   0.019%
          HB3   LEU   80 - HG3   LYS+  38  24.01 +/- 7.01   0.920% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HG3   LYS+  38  11.53 +/- 2.92   0.718% *  0.0649% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  38 - HG3   LYS+  99  13.69 +/- 8.53   0.384% *  0.0933% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   77 - HG3   LYS+  38  19.50 +/- 4.55   0.604% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HG3   LYS+  38  22.35 +/- 6.88   0.304% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  21.72 +/- 4.12   0.053% *  0.0747% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  16.13 +/- 7.21   0.217% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  14.28 +/- 5.52   0.437% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  18.70 +/- 2.55   0.050% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  24.36 +/- 2.96   0.020% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   7.61 +/- 1.40   0.824% *  0.0014% (0.02   1.0  1.00   0.02  18.55) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  20.16 +/- 1.73   0.034% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  30.03 +/- 3.11   0.010% *  0.0716% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  17.34 +/- 3.00   0.125% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  17.54 +/- 2.03   0.053% *  0.0078% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  17.01 +/- 3.69   0.076% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  21.62 +/- 4.93   0.049% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.52 +/- 2.22   0.054% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  20.04 +/- 7.14   0.079% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 375 (1.26, 1.26, 25.69 ppm):
    2 diagonal assignments:
    *     HG3   LYS+  38 - HG3   LYS+  38  (1.00)  kept
          HG3   LYS+  99 - HG3   LYS+  99  (0.04)  kept
 
    Peak 376 (1.67, 1.26, 25.69 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.55, residual support = 219.7:
    * O T QD    LYS+  38 - HG3   LYS+  38   2.31 +/- 0.13  85.758% * 97.6899% (1.00  10.0 10.00   5.55 219.76) =  99.984%  kept
        T QD    LYS+  38 - HG3   LYS+  99  12.28 +/- 7.80   3.307% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.004%
          HB    VAL   83 - HG3   LYS+  38  23.20 +/- 7.07   3.565% *  0.0943% (0.97   1.0  1.00   0.02   0.02) =   0.004%
        T QD    LYS+ 102 - HG3   LYS+  99   8.50 +/- 1.68   3.013% *  0.0816% (0.08   1.0 10.00   0.02   1.59) =   0.003%
        T QD    LYS+  65 - HG3   LYS+  38  20.16 +/- 2.61   0.171% *  0.9018% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+  74 - HG3   LYS+  38  20.01 +/- 3.28   0.199% *  0.3332% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HG3   LYS+  38  16.95 +/- 7.94   0.835% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HG3   LYS+  99  19.08 +/- 3.54   0.700% *  0.0348% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  38  22.55 +/- 6.25   0.233% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  99  20.18 +/- 3.22   0.160% *  0.0941% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  38  30.62 +/- 2.93   0.042% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  38  25.57 +/- 6.36   0.207% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  99  17.38 +/- 7.75   1.019% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  38  27.63 +/- 3.17   0.061% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  99  25.05 +/- 2.34   0.077% *  0.0315% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  99  20.50 +/- 4.56   0.202% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  99  21.79 +/- 6.85   0.241% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  38  27.69 +/- 3.19   0.063% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  99  24.08 +/- 1.00   0.078% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  99  24.55 +/- 0.79   0.072% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 377 (3.78, 1.67, 29.90 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 6.0, residual support = 219.5:
    *   T HA    LYS+  38 - QD    LYS+  38   3.50 +/- 0.77  55.475% * 98.6212% (1.00 10.00   6.01 219.76) =  99.880%  kept
        T HA    GLU- 100 - QD    LYS+  38  11.91 +/- 8.37  20.654% *  0.2196% (0.22 10.00   0.02   0.02) =   0.083%
        T HA    VAL   83 - QD    LYS+  38  21.72 +/- 6.66   7.235% *  0.1952% (0.20 10.00   0.02   0.02) =   0.026%
        T HA    LYS+  38 - HD2   LYS+  74  18.03 +/- 2.94   0.643% *  0.2163% (0.22 10.00   0.02   0.02) =   0.003%
        T HD2   PRO   58 - QD    LYS+  65  10.88 +/- 2.11   3.532% *  0.0278% (0.03 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  38 - QD    LYS+  65  18.93 +/- 2.14   0.448% *  0.1802% (0.18 10.00   0.02   0.02) =   0.001%
        T HD2   PRO   58 - HD2   LYS+  74  13.87 +/- 3.40   1.760% *  0.0334% (0.03 10.00   0.02   0.02) =   0.001%
          HA    VAL   24 - QD    LYS+  38  17.32 +/- 3.37   0.810% *  0.0638% (0.65  1.00   0.02   0.02) =   0.001%
          HA    VAL   24 - HD2   LYS+  74  11.30 +/- 2.30   3.487% *  0.0140% (0.14  1.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - HD2   LYS+  74  15.95 +/- 2.33   0.878% *  0.0428% (0.04 10.00   0.02   0.02) =   0.001%
        T HD2   PRO   58 - QD    LYS+  38  23.96 +/- 4.33   0.231% *  0.1522% (0.15 10.00   0.02   0.02) =   0.001%
        T HA    GLU- 100 - HD2   LYS+  74  19.92 +/- 2.78   0.517% *  0.0481% (0.05 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  65  15.57 +/- 4.16   1.681% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  65  20.02 +/- 3.49   0.399% *  0.0357% (0.04 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - QD    LYS+  65  21.93 +/- 2.66   0.315% *  0.0401% (0.04 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+ 111  29.23 +/- 2.69   0.122% *  0.0742% (0.08 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+ 111  27.59 +/- 2.26   0.147% *  0.0165% (0.02 10.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD2   LYS+ 111  14.53 +/- 2.75   1.215% *  0.0011% (0.01  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+ 111  26.51 +/- 3.55   0.182% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   LYS+ 111  23.84 +/- 3.18   0.271% *  0.0015% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 378 (2.18, 1.67, 29.90 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 5.23, residual support = 219.7:
    * O   HB2   LYS+  38 - QD    LYS+  38   2.83 +/- 0.56  64.349% * 99.6020% (1.00  10.0   5.23 219.76) =  99.994%  kept
          QG    GLN   17 - QD    LYS+  65  10.66 +/- 5.28  15.076% *  0.0045% (0.05   1.0   0.02   0.02) =   0.001%
          HB    VAL   70 - QD    LYS+  38  12.80 +/- 2.27   2.606% *  0.0197% (0.20   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  29 - QD    LYS+  38  16.02 +/- 2.41   0.703% *  0.0723% (0.73   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - QD    LYS+  38  14.50 +/- 3.49   1.362% *  0.0248% (0.25   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  29 - QD    LYS+  38  14.32 +/- 1.95   0.891% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  38  19.44 +/- 2.92   0.423% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+  74  16.96 +/- 2.71   0.891% *  0.0159% (0.16   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+  74  10.80 +/- 3.26   2.516% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  38  25.27 +/- 4.26   0.204% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+  74  16.45 +/- 2.93   1.370% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+  74  19.87 +/- 3.14   0.438% *  0.0218% (0.22   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+  74  10.92 +/- 1.83   2.124% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  65  18.71 +/- 4.03   1.123% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  65   9.96 +/- 0.78   1.823% *  0.0036% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+  74  15.39 +/- 2.36   0.877% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  65  20.05 +/- 3.16   0.435% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QD    LYS+  65  20.05 +/- 2.23   0.303% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+  74  17.92 +/- 3.17   0.396% *  0.0115% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  65  20.33 +/- 4.40   0.389% *  0.0096% (0.10   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  65  19.44 +/- 3.18   0.503% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+ 111  17.11 +/- 4.12   0.579% *  0.0039% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+ 111  31.04 +/- 2.83   0.068% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+ 111  32.90 +/- 4.16   0.070% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+ 111  21.88 +/- 2.90   0.197% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+ 111  25.50 +/- 3.68   0.139% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+ 111  31.57 +/- 4.06   0.072% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+ 111  32.66 +/- 3.86   0.070% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 379 (1.88, 1.67, 29.90 ppm):
    52 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 219.7:
    * O T HB3   LYS+  38 - QD    LYS+  38   2.48 +/- 0.32  56.587% * 98.4611% (1.00  10.0 10.00   4.63 219.76) =  99.982%  kept
          HG3   PRO   68 - QD    LYS+  38  15.53 +/- 3.94  10.288% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.004%
          HB3   GLN   30 - QD    LYS+  38  12.60 +/- 2.40   1.702% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLN   30 - HD2   LYS+  74  11.41 +/- 2.94   6.808% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - QD    LYS+  38   9.53 +/- 0.86   1.449% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   58 - QD    LYS+  65   9.27 +/- 3.35   4.061% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - HD2   LYS+ 111  11.97 +/- 2.35   0.983% *  0.0449% (0.05   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HD2   LYS+  74  14.65 +/- 2.68   0.481% *  0.0888% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QD    LYS+  38  22.32 +/- 5.96   0.679% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+  38 - HD2   LYS+  74  19.48 +/- 2.94   0.169% *  0.2159% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   92 - QD    LYS+  65  17.12 +/- 4.54   1.884% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+  38 - QD    LYS+  65  19.62 +/- 2.32   0.145% *  0.1799% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  38  23.33 +/- 4.57   0.235% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+ 111  12.74 +/- 3.64   2.314% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  38  17.82 +/- 2.80   0.210% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  65  12.81 +/- 1.72   0.683% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  38  24.15 +/- 4.47   0.108% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  38  17.24 +/- 4.17   0.297% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+  74  13.56 +/- 3.91   0.592% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+  74  14.97 +/- 3.11   0.394% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+  74  15.92 +/- 3.92   0.447% *  0.0180% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  38  17.19 +/- 5.02   0.322% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+ 111  11.99 +/- 3.06   0.860% *  0.0072% (0.07   1.0  1.00   0.02   1.77) =   0.000%
          HB2   MET   92 - QD    LYS+  38  25.51 +/- 3.77   0.069% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  65  15.42 +/- 2.45   0.321% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+  74  13.78 +/- 1.66   0.405% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  65  17.02 +/- 3.65   0.459% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  65  10.61 +/- 1.29   1.053% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   LYS+  74  15.81 +/- 2.62   0.297% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  38  25.02 +/- 4.26   0.079% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  65  17.07 +/- 2.17   0.331% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+  74  16.73 +/- 3.93   0.549% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  65  14.00 +/- 2.75   0.605% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+  74  17.69 +/- 3.51   0.285% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+ 111  29.82 +/- 2.86   0.039% *  0.0741% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  38  27.51 +/- 5.44   0.087% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  65  20.10 +/- 4.37   0.246% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+  74  15.09 +/- 2.54   0.417% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+  74  17.21 +/- 3.50   0.285% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+ 111  16.88 +/- 4.46   0.485% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+  74  19.12 +/- 3.45   0.305% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  65  16.65 +/- 2.34   0.220% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  65  17.51 +/- 2.29   0.208% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+ 111  17.30 +/- 2.91   0.234% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+ 111  20.68 +/- 3.66   0.181% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+ 111  15.88 +/- 3.13   0.323% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+ 111  15.66 +/- 2.57   0.311% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  65  21.16 +/- 2.27   0.138% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+ 111  27.76 +/- 2.83   0.048% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+ 111  19.60 +/- 2.09   0.139% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+ 111  24.02 +/- 4.84   0.139% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   LYS+ 111  28.62 +/- 2.90   0.043% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.01 A, kept.
 
    Peak 380 (1.32, 1.67, 29.90 ppm):
    44 chemical-shift based assignments, quality = 0.965, support = 5.76, residual support = 223.0:
    * O T HG2   LYS+  38 - QD    LYS+  38   2.40 +/- 0.14  39.760% * 91.2181% (1.00  10.0 10.00   5.75 219.76) =  96.321%  kept
      O T HG2   LYS+ 111 - HD2   LYS+ 111   2.85 +/- 0.22  24.620% *  5.4974% (0.06  10.0 10.00   6.21 314.87) =   3.595%  kept
        T HG2   LYS+  99 - QD    LYS+  38  12.32 +/- 8.01   2.521% *  0.8941% (0.98   1.0 10.00   0.02   0.02) =   0.060%
          HB3   LEU   80 - QD    LYS+  38  21.89 +/- 6.71   9.472% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.013%
          HB2   LEU   31 - QD    LYS+  38  10.83 +/- 3.01   1.397% *  0.0662% (0.73   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   LYS+  99 - HD2   LYS+  74  19.32 +/- 3.37   0.266% *  0.1961% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - QD    LYS+  65  10.99 +/- 3.17   6.144% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  38 - HD2   LYS+  74  19.65 +/- 3.45   0.156% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  38  27.01 +/- 3.05   0.034% *  0.7304% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HD2   LYS+  74   8.92 +/- 2.91   2.360% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - QD    LYS+  65  11.33 +/- 4.21   2.527% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HD2   LYS+  74   8.32 +/- 3.40   2.535% *  0.0068% (0.07   1.0  1.00   0.02   4.48) =   0.000%
          QG2   THR   77 - QD    LYS+  38  18.00 +/- 4.14   0.416% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  20.06 +/- 2.72   0.101% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HD2   LYS+  74  21.46 +/- 4.04   0.086% *  0.1602% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  20.46 +/- 3.13   0.079% *  0.1633% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+  74   7.99 +/- 1.55   1.436% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  19.66 +/- 2.88   0.093% *  0.1334% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  20.19 +/- 6.05   0.516% *  0.0203% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   7.82 +/- 0.64   1.260% *  0.0075% (0.08   1.0  1.00   0.02   3.61) =   0.000%
          QB    ALA   88 - QD    LYS+  38  19.52 +/- 3.54   0.123% *  0.0762% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  17.19 +/- 2.92   0.175% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+  74  12.17 +/- 2.76   0.580% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+  74  15.24 +/- 2.97   0.374% *  0.0145% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  14.74 +/- 5.38   0.378% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+  74  15.99 +/- 2.86   0.222% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  18.43 +/- 2.38   0.103% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  25.58 +/- 2.47   0.036% *  0.0673% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  16.83 +/- 3.75   0.243% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  18.36 +/- 3.56   0.149% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  18.28 +/- 3.43   0.163% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  30.92 +/- 2.72   0.020% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  15.57 +/- 2.71   0.183% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  15.37 +/- 2.94   0.238% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  16.07 +/- 4.39   0.279% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+  74  15.91 +/- 2.34   0.176% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+  74  19.40 +/- 3.74   0.122% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  15.93 +/- 2.86   0.193% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  17.80 +/- 2.34   0.124% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.79 +/- 2.24   0.108% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  23.63 +/- 3.90   0.058% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  28.09 +/- 4.02   0.033% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.90 +/- 1.62   0.076% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  21.45 +/- 2.51   0.064% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 381 (1.26, 1.67, 29.90 ppm):
    40 chemical-shift based assignments, quality = 0.957, support = 5.53, residual support = 216.4:
    * O T HG3   LYS+  38 - QD    LYS+  38   2.31 +/- 0.13  48.046% * 78.1280% (1.00  10.0 10.00   5.55 219.76) =  94.531%  kept
      O T HG2   LYS+  74 - HD2   LYS+  74   2.72 +/- 0.25  30.912% *  5.8441% (0.07  10.0 10.00   5.54 186.90) =   4.549%  kept
          QG2   THR   39 - QD    LYS+  38   6.45 +/- 0.67   2.366% * 13.0346% (0.90   1.0  1.00   3.72  22.99) =   0.777%  kept
          QB    ALA   34 - QD    LYS+  38   6.46 +/- 1.31   3.414% *  1.4232% (0.80   1.0  1.00   0.45   0.02) =   0.122%  kept
        T HG3   LYS+  99 - QD    LYS+  38  12.28 +/- 7.80   1.718% *  0.2932% (0.38   1.0 10.00   0.02   0.02) =   0.013%
        T HG2   LYS+  74 - QD    LYS+  65   9.55 +/- 3.23   1.548% *  0.0487% (0.06   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  74 - QD    LYS+  38  18.48 +/- 3.32   0.153% *  0.2665% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HD2   LYS+  74  19.08 +/- 3.54   0.430% *  0.0643% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QD    LYS+  38  11.51 +/- 2.33   0.966% *  0.0241% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - HD2   LYS+  74  20.01 +/- 3.28   0.119% *  0.1713% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - QD    LYS+  65  20.16 +/- 2.61   0.099% *  0.1427% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  13.88 +/- 2.47   0.293% *  0.0442% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+  74  11.87 +/- 2.20   0.688% *  0.0137% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74  12.34 +/- 2.66   0.566% *  0.0162% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+ 111  10.79 +/- 3.79   1.546% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  65  10.76 +/- 1.28   0.579% *  0.0135% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.14 +/- 3.66   0.102% *  0.0739% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74  10.60 +/- 2.61   0.753% *  0.0097% (0.12   1.0  1.00   0.02   8.22) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  12.93 +/- 2.28   0.380% *  0.0154% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  21.01 +/- 2.78   0.079% *  0.0701% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+  74  10.54 +/- 1.68   0.715% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  38  17.22 +/- 2.40   0.145% *  0.0350% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  20.18 +/- 3.22   0.090% *  0.0536% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+ 111   9.95 +/- 1.90   0.810% *  0.0056% (0.07   1.0  1.00   0.02   1.77) =   0.000%
          QG2   THR   39 - QD    LYS+  65  13.25 +/- 2.13   0.351% *  0.0128% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  12.85 +/- 3.24   0.545% *  0.0081% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  14.84 +/- 2.62   0.243% *  0.0154% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  65  16.12 +/- 3.18   0.275% *  0.0128% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD    LYS+  65  13.78 +/- 1.76   0.274% *  0.0114% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  12.18 +/- 2.55   0.634% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  65  13.75 +/- 2.99   0.401% *  0.0064% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  12.70 +/- 1.66   0.372% *  0.0053% (0.07   1.0  1.00   0.02   0.28) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  21.26 +/- 3.29   0.076% *  0.0201% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+ 111  30.62 +/- 2.93   0.023% *  0.0588% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  25.05 +/- 2.34   0.042% *  0.0221% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+ 111  22.77 +/- 2.48   0.062% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+ 111  23.13 +/- 2.07   0.054% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+ 111  25.14 +/- 3.31   0.046% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  26.15 +/- 4.22   0.056% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  28.11 +/- 2.93   0.030% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 382 (1.67, 1.67, 29.90 ppm):
    4 diagonal assignments:
    *     QD    LYS+  38 - QD    LYS+  38  (1.00)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.17)  kept
          HD2   LYS+  74 - HD2   LYS+  74  (0.07)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 383 (4.27, 4.27, 62.55 ppm):
    2 diagonal assignments:
    *     HA    THR   39 - HA    THR   39  (1.00)  kept
          HA    ILE  103 - HA    ILE  103  (0.24)  kept
 
    Peak 384 (3.86, 4.27, 62.55 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 36.8:
    * O T HB    THR   39 - HA    THR   39   2.79 +/- 0.20  78.715% * 98.6574% (1.00  10.0 10.00   3.00  36.84) =  99.977%  kept
          HB3   SER   37 - HA    THR   39   5.51 +/- 0.60  11.629% *  0.0952% (0.97   1.0  1.00   0.02   4.22) =   0.014%
        T HB    THR   39 - HA    ILE  103  15.27 +/- 5.08   0.747% *  0.3259% (0.33   1.0 10.00   0.02   0.02) =   0.003%
          QB    SER   13 - HA    THR   39  16.01 +/- 4.84   1.106% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - HA    ILE  103  22.16 +/- 4.61   1.581% *  0.0325% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HA    THR   39  11.64 +/- 2.22   1.976% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HA    THR   39  23.73 +/- 6.12   0.421% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    THR   39  27.52 +/- 3.15   0.109% *  0.3045% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   39  19.86 +/- 4.06   0.442% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   39  21.56 +/- 3.22   0.252% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ILE  103  14.96 +/- 1.80   0.619% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ILE  103  15.56 +/- 4.39   0.805% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ILE  103  17.60 +/- 5.59   0.529% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    ILE  103  25.15 +/- 3.51   0.146% *  0.1006% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ILE  103  20.51 +/- 3.73   0.304% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ILE  103  16.75 +/- 3.86   0.619% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 385 (1.26, 4.27, 62.55 ppm):
    20 chemical-shift based assignments, quality = 0.872, support = 3.04, residual support = 35.8:
    * O T QG2   THR   39 - HA    THR   39   2.61 +/- 0.40  57.980% * 72.3604% (0.87  10.0 10.00   3.00  36.84) =  94.464%  kept
          HG3   LYS+  38 - HA    THR   39   6.15 +/- 1.13   9.218% * 18.2493% (1.00   1.0  1.00   4.39  22.99) =   3.788%  kept
          QB    ALA   34 - HA    THR   39   5.26 +/- 0.95  10.428% *  7.3293% (0.84   1.0  1.00   2.10   5.35) =   1.721%  kept
        T QG2   THR   39 - HA    ILE  103  13.21 +/- 4.69   1.493% *  0.2391% (0.29   1.0 10.00   0.02   0.02) =   0.008%
        T QB    ALA   91 - HA    THR   39  20.45 +/- 2.24   0.185% *  0.7236% (0.87   1.0 10.00   0.02   0.02) =   0.003%
          HG3   LYS+  99 - HA    THR   39  12.32 +/- 8.48   4.510% *  0.0285% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   71 - HA    THR   39   8.08 +/- 3.19   4.925% *  0.0232% (0.28   1.0  1.00   0.02   0.14) =   0.003%
        T QG2   THR   23 - HA    THR   39  17.07 +/- 2.24   0.246% *  0.4060% (0.49   1.0 10.00   0.02   0.02) =   0.002%
        T QG2   THR   23 - HA    ILE  103  17.37 +/- 4.25   0.671% *  0.1341% (0.16   1.0 10.00   0.02   0.02) =   0.002%
        T QB    ALA   91 - HA    ILE  103  15.76 +/- 1.06   0.306% *  0.2391% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HA    THR   39  11.60 +/- 4.39   1.546% *  0.0439% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  99 - HA    ILE  103   7.30 +/- 1.06   4.156% *  0.0094% (0.11   1.0  1.00   0.02   0.73) =   0.001%
          QB    ALA   34 - HA    ILE  103  11.36 +/- 3.99   1.645% *  0.0230% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    THR   39  18.86 +/- 2.67   0.221% *  0.0805% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE  103  16.98 +/- 6.84   0.487% *  0.0275% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    THR   39  16.30 +/- 2.46   0.462% *  0.0257% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ILE  103  17.20 +/- 2.47   0.315% *  0.0266% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE  103  17.47 +/- 3.62   0.341% *  0.0145% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE  103  16.88 +/- 3.33   0.479% *  0.0085% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE  103  17.32 +/- 4.45   0.386% *  0.0077% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 386 (4.27, 3.86, 70.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 36.8:
    * O T HA    THR   39 - HB    THR   39   2.79 +/- 0.20  93.970% * 98.7925% (1.00  10.0 10.00   3.00  36.84) =  99.989%  kept
        T HA    ILE  103 - HB    THR   39  15.27 +/- 5.08   0.892% *  0.7174% (0.73   1.0 10.00   0.02   0.02) =   0.007%
          HA    GLU-  79 - HB    THR   39  20.95 +/- 4.70   1.646% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   77 - HB    THR   39  20.45 +/- 4.93   1.678% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB    THR   39  15.25 +/- 1.00   0.627% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    THR   39  20.74 +/- 2.90   0.319% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    THR   39  23.44 +/- 4.72   0.376% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    THR   39  21.06 +/- 4.81   0.352% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    THR   39  27.64 +/- 3.40   0.140% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 387 (3.86, 3.86, 70.88 ppm):
    1 diagonal assignment:
    *     HB    THR   39 - HB    THR   39  (1.00)  kept
 
    Peak 388 (1.26, 3.86, 70.88 ppm):
    10 chemical-shift based assignments, quality = 0.861, support = 2.9, residual support = 29.8:
    * O T QG2   THR   39 - HB    THR   39   2.16 +/- 0.01  61.313% * 44.9056% (0.87  10.0 10.00   2.97  36.84) =  77.081%  kept
        T QB    ALA   34 - HB    THR   39   4.60 +/- 1.33  18.209% * 43.2408% (0.84   1.0 10.00   2.63   5.35) =  22.043%  kept
          HG3   LYS+  38 - HB    THR   39   7.33 +/- 1.28   2.830% * 10.8684% (1.00   1.0  1.00   4.21  22.99) =   0.861%  kept
          HG    LEU   71 - HB    THR   39   7.50 +/- 4.10  13.774% *  0.0144% (0.28   1.0  1.00   0.02   0.14) =   0.006%
        T HG3   LYS+  99 - HB    THR   39  13.14 +/- 7.10   0.914% *  0.1766% (0.34   1.0 10.00   0.02   0.02) =   0.005%
          HG13  ILE   19 - HB    THR   39  10.20 +/- 4.99   2.324% *  0.0272% (0.53   1.0  1.00   0.02   0.02) =   0.002%
        T QG2   THR   23 - HB    THR   39  15.88 +/- 2.81   0.210% *  0.2520% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T QB    ALA   91 - HB    THR   39  20.35 +/- 2.04   0.086% *  0.4491% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HB    THR   39  18.94 +/- 2.37   0.112% *  0.0500% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    THR   39  15.38 +/- 2.79   0.228% *  0.0160% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 389 (4.27, 1.26, 21.81 ppm):
    27 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 36.8:
    * O T HA    THR   39 - QG2   THR   39   2.61 +/- 0.40  63.382% * 96.3159% (0.87  10.0 10.00   3.00  36.84) =  99.944%  kept
        T HA    ILE  103 - QG2   THR   39  13.21 +/- 4.69   1.648% *  0.6994% (0.63   1.0 10.00   0.02   0.02) =   0.019%
        T HB    THR   77 - QG2   THR   23  13.36 +/- 2.20   1.174% *  0.3278% (0.30   1.0 10.00   0.02   0.02) =   0.006%
          HA1   GLY   51 - QB    ALA   91  12.81 +/- 3.20   6.547% *  0.0446% (0.40   1.0  1.00   0.02   0.02) =   0.005%
        T HA    ILE  103 - QG2   THR   23  17.37 +/- 4.25   0.734% *  0.3925% (0.35   1.0 10.00   0.02   0.02) =   0.005%
          HB    THR   77 - QB    ALA   91   9.78 +/- 4.76   6.726% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   85 - QB    ALA   91   8.47 +/- 1.68   5.713% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.003%
        T HA    THR   39 - QG2   THR   23  17.07 +/- 2.24   0.269% *  0.5405% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLU-  79 - QG2   THR   23  10.86 +/- 3.85   2.616% *  0.0536% (0.48   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ILE  103 - QB    ALA   91  15.76 +/- 1.06   0.337% *  0.3303% (0.30   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLU-  79 - QG2   THR   39  18.02 +/- 3.85   1.128% *  0.0955% (0.86   1.0  1.00   0.02   0.02) =   0.002%
        T HA    THR   39 - QB    ALA   91  20.45 +/- 2.24   0.201% *  0.4548% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   57 - QB    ALA   91  13.28 +/- 3.55   1.929% *  0.0348% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - QG2   THR   39  17.62 +/- 3.86   0.989% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    ALA   91  13.03 +/- 2.79   0.957% *  0.0451% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QB    ALA   91   9.51 +/- 0.89   1.637% *  0.0239% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QG2   THR   39  12.93 +/- 1.20   0.706% *  0.0507% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - QG2   THR   39  17.29 +/- 2.58   0.343% *  0.0736% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   39  20.17 +/- 4.09   0.386% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   23  20.83 +/- 4.28   0.312% *  0.0530% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   23  17.60 +/- 3.49   0.389% *  0.0413% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   23  14.10 +/- 1.87   0.553% *  0.0284% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   39  17.35 +/- 4.22   0.322% *  0.0469% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   23  16.70 +/- 3.34   0.438% *  0.0328% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   39  22.95 +/- 3.22   0.134% *  0.0944% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   23  19.35 +/- 3.90   0.305% *  0.0263% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   91  30.77 +/- 5.10   0.123% *  0.0221% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 390 (3.86, 1.26, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.865, support = 2.93, residual support = 36.2:
    * O T HB    THR   39 - QG2   THR   39   2.16 +/- 0.01  60.109% * 90.9710% (0.87  10.0 10.00   2.97  36.84) =  98.122%  kept
          HB3   SER   37 - QG2   THR   39   3.66 +/- 1.24  24.710% *  3.2923% (0.84   1.0  1.00   0.75   4.22) =   1.460%  kept
          HA    ILE   89 - QB    ALA   91   5.00 +/- 0.64   5.673% *  4.0069% (0.40   1.0  1.00   1.93   7.64) =   0.408%  kept
          QB    SER   13 - QG2   THR   39  12.29 +/- 4.54   2.256% *  0.0908% (0.87   1.0  1.00   0.02   0.02) =   0.004%
        T HB    THR   39 - QG2   THR   23  15.88 +/- 2.81   0.262% *  0.5105% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN   30 - QG2   THR   39   9.17 +/- 2.52   1.640% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HB    THR   39 - QB    ALA   91  20.35 +/- 2.04   0.083% *  0.4296% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB3   SER   82 - QG2   THR   39  19.68 +/- 4.92   0.363% *  0.0760% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   23  13.35 +/- 5.04   0.636% *  0.0426% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   39  16.77 +/- 3.00   0.314% *  0.0588% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR   23  14.50 +/- 2.60   0.305% *  0.0509% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   91  12.93 +/- 1.84   0.413% *  0.0359% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   39  18.26 +/- 2.66   0.149% *  0.0878% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QB    ALA   91  11.71 +/- 3.37   0.973% *  0.0133% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   23  16.60 +/- 2.65   0.223% *  0.0493% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   23   9.51 +/- 1.03   0.811% *  0.0127% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   91  13.82 +/- 2.95   0.334% *  0.0278% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR   23  16.49 +/- 2.27   0.168% *  0.0493% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   23  20.04 +/- 4.08   0.151% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QB    ALA   91  22.99 +/- 2.76   0.067% *  0.0415% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QB    ALA   91  24.48 +/- 3.79   0.062% *  0.0429% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   23  20.98 +/- 4.10   0.127% *  0.0158% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   39  22.86 +/- 2.68   0.064% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    ALA   91  20.56 +/- 2.55   0.109% *  0.0107% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 391 (1.26, 1.26, 21.81 ppm):
    3 diagonal assignments:
    *     QG2   THR   39 - QG2   THR   39  (0.75)  kept
          QB    ALA   91 - QB    ALA   91  (0.36)  kept
          QG2   THR   23 - QG2   THR   23  (0.24)  kept
 
    Peak 392 (4.40, 4.40, 56.43 ppm):
    3 diagonal assignments:
    *     HA    LEU   40 - HA    LEU   40  (1.00)  kept
          HA    GLU-  15 - HA    GLU-  15  (0.76)  kept
          HA    ASN   35 - HA    ASN   35  (0.14)  kept
 
    Peak 393 (1.94, 4.40, 56.43 ppm):
    21 chemical-shift based assignments, quality = 0.994, support = 5.35, residual support = 105.3:
    * O T HB2   LEU   40 - HA    LEU   40   2.74 +/- 0.30  67.861% * 93.6627% (1.00  10.0 10.00   5.39 106.44) =  98.953%  kept
          HB3   GLU-  14 - HA    GLU-  15   4.88 +/- 0.73  14.641% *  4.4297% (0.39   1.0  1.00   2.40   1.70) =   1.010%  kept
        T HB2   LEU   40 - HA    GLU-  15  14.15 +/- 4.35   1.155% *  0.7574% (0.81   1.0 10.00   0.02   0.02) =   0.014%
        T HB2   LEU   40 - HA    ASN   35   9.54 +/- 0.96   2.046% *  0.3512% (0.37   1.0 10.00   0.02   0.02) =   0.011%
        T HB2   LEU   67 - HA    LEU   40  10.31 +/- 1.87   1.730% *  0.1445% (0.15   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   LEU   67 - HA    GLU-  15  13.86 +/- 4.08   1.545% *  0.1169% (0.12   1.0 10.00   0.02   0.02) =   0.003%
          HB3   MET   96 - HA    LEU   40  12.95 +/- 3.27   1.107% *  0.0750% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HA    GLU-  15   9.17 +/- 0.60   1.929% *  0.0258% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HA    LEU   40  12.69 +/- 3.10   1.239% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU   67 - HA    ASN   35  15.51 +/- 2.83   0.676% *  0.0542% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HA    ASN   35  16.89 +/- 4.80   1.628% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    ASN   35  17.98 +/- 3.99   0.892% *  0.0281% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLU-  15  13.37 +/- 1.62   0.768% *  0.0234% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    LEU   40  17.95 +/- 4.00   0.391% *  0.0456% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  15  20.67 +/- 3.78   0.292% *  0.0607% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ASN   35  15.39 +/- 3.64   1.291% *  0.0120% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU   40  23.21 +/- 5.47   0.237% *  0.0568% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU-  15  28.15 +/- 5.04   0.091% *  0.0459% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    LEU   40  24.58 +/- 3.99   0.134% *  0.0289% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    ASN   35  21.82 +/- 5.23   0.258% *  0.0108% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    ASN   35  29.25 +/- 5.54   0.090% *  0.0213% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 394 (1.48, 4.40, 56.43 ppm):
    30 chemical-shift based assignments, quality = 0.91, support = 5.59, residual support = 106.4:
    * O T HB3   LEU   40 - HA    LEU   40   2.55 +/- 0.31  57.229% * 70.6117% (1.00  10.0 10.00   5.62 106.44) =  85.631%  kept
      O T HG    LEU   40 - HA    LEU   40   3.51 +/- 0.39  25.525% * 26.5014% (0.38  10.0 10.00   5.44 106.44) =  14.334%  kept
        T HB3   LEU   40 - HA    GLU-  15  14.53 +/- 4.41   1.107% *  0.5710% (0.81   1.0 10.00   0.02   0.02) =   0.013%
        T HB3   LEU   40 - HA    ASN   35   9.64 +/- 1.01   1.289% *  0.2647% (0.37   1.0 10.00   0.02   0.02) =   0.007%
        T HG    LEU  115 - HA    LEU   40  18.32 +/- 3.31   0.219% *  0.6518% (0.92   1.0 10.00   0.02   0.02) =   0.003%
        T HG    LEU   40 - HA    ASN   35  10.43 +/- 1.31   1.051% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+  74 - HA    LEU   40  13.83 +/- 3.07   1.931% *  0.0372% (0.53   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU  115 - HA    LEU   40  18.50 +/- 3.22   0.239% *  0.2650% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HA    LEU   40  11.07 +/- 1.69   1.235% *  0.0344% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HA    LEU   40  16.37 +/- 6.36   2.088% *  0.0124% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HA    GLU-  15  14.85 +/- 4.42   0.829% *  0.0278% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    GLU-  15  10.67 +/- 2.05   1.438% *  0.0159% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LEU   40  16.83 +/- 3.86   0.340% *  0.0652% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ASN   35  24.92 +/- 3.80   0.081% *  0.2444% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU   40  12.89 +/- 2.24   0.882% *  0.0196% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    GLU-  15  25.26 +/- 3.03   0.075% *  0.2143% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU-  15  13.84 +/- 2.59   0.465% *  0.0300% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    GLU-  15  14.78 +/- 4.36   0.604% *  0.0214% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU-  15  21.80 +/- 4.47   0.182% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU-  15  16.84 +/- 5.27   0.670% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ASN   35  25.09 +/- 3.58   0.074% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ASN   35  16.36 +/- 2.83   0.498% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU   40  16.00 +/- 1.73   0.309% *  0.0157% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ASN   35  11.94 +/- 1.06   0.635% *  0.0074% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    GLU-  15  24.67 +/- 3.01   0.086% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ASN   35  17.33 +/- 2.71   0.277% *  0.0139% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ASN   35  22.11 +/- 3.82   0.119% *  0.0244% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU-  15  22.67 +/- 4.48   0.157% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ASN   35  20.89 +/- 2.84   0.174% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ASN   35  22.52 +/- 5.86   0.191% *  0.0046% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (4.40, 1.94, 42.31 ppm):
    22 chemical-shift based assignments, quality = 0.999, support = 5.38, residual support = 106.3:
    * O T HA    LEU   40 - HB2   LEU   40   2.74 +/- 0.30  58.547% * 97.6617% (1.00  10.0 10.00   5.39 106.44) =  99.880%  kept
          HA    LYS+  99 - HB2   LEU   40  10.55 +/- 7.96  11.730% *  0.4050% (0.25   1.0  1.00   0.33   8.09) =   0.083%
        T HA    GLU-  15 - HB2   LEU   40  14.15 +/- 4.35   0.962% *  0.9238% (0.95   1.0 10.00   0.02   0.02) =   0.016%
        T HA    ASN   35 - HB2   LEU   40   9.54 +/- 0.96   1.838% *  0.3665% (0.38   1.0 10.00   0.02   0.02) =   0.012%
        T HA    LEU   40 - HB2   LEU   67  10.31 +/- 1.87   1.539% *  0.0900% (0.09   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLU-  15 - HB2   LEU   67  13.86 +/- 4.08   0.979% *  0.0852% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB2   LEU   40   9.84 +/- 1.38   1.832% *  0.0367% (0.38   1.0  1.00   0.02   0.71) =   0.001%
          HA    GLN   17 - HB2   LEU   67  10.05 +/- 5.11  15.183% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB2   LEU   40  12.89 +/- 4.33   1.337% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   LEU   40  17.19 +/- 3.50   0.495% *  0.0943% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB2   LEU   40  19.20 +/- 6.55   0.796% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB2   LEU   40  19.77 +/- 4.68   0.273% *  0.0924% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   LEU   67  15.51 +/- 2.83   0.600% *  0.0338% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   40  18.38 +/- 1.35   0.213% *  0.0438% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   40  20.07 +/- 3.75   0.230% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   67  13.42 +/- 1.67   0.574% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   67  16.82 +/- 5.08   0.710% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   67  18.75 +/- 4.31   0.279% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   67  15.95 +/- 2.47   0.422% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   67  15.04 +/- 2.57   0.487% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   LEU   67  15.73 +/- 4.96   0.677% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   67  16.75 +/- 1.70   0.299% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 396 (1.94, 1.94, 42.31 ppm):
    2 diagonal assignments:
    *     HB2   LEU   40 - HB2   LEU   40  (1.00)  kept
          HB2   LEU   67 - HB2   LEU   67  (0.01)  kept
 
    Peak 397 (1.48, 1.94, 42.31 ppm):
    20 chemical-shift based assignments, quality = 0.918, support = 4.33, residual support = 105.9:
    * O T HB3   LEU   40 - HB2   LEU   40   1.75 +/- 0.00  57.018% * 69.9238% (1.00  10.0 10.00   4.26 106.44) =  87.462%  kept
      O   HG    LEU   40 - HB2   LEU   40   2.56 +/- 0.24  19.638% * 26.2432% (0.38  10.0  1.00   4.79 106.44) =  11.306%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.66 +/- 0.28  17.862% *  3.1374% (0.04  10.0  1.00   5.16  60.78) =   1.229%  kept
        T HB3   LEU   40 - HB2   LEU   67   9.56 +/- 1.62   0.444% *  0.0645% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LEU  115 - HB2   LEU   40  18.42 +/- 3.22   0.071% *  0.2624% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   40  13.85 +/- 3.09   0.447% *  0.0368% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU   40   9.69 +/- 1.50   0.483% *  0.0340% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU   67   8.79 +/- 1.51   0.623% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   40  16.45 +/- 4.29   0.160% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   40  16.16 +/- 6.70   0.838% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  15.63 +/- 1.91   0.097% *  0.0595% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB2   LEU   40  18.10 +/- 3.34   0.076% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   40  13.69 +/- 2.37   0.191% *  0.0194% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  16.46 +/- 2.63   0.096% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   67  10.06 +/- 2.82   0.593% *  0.0034% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   40  15.00 +/- 1.47   0.100% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   67   8.37 +/- 0.91   0.615% *  0.0014% (0.02   1.0  1.00   0.02   0.37) =   0.000%
          QB    ALA  120 - HB2   LEU   67  15.29 +/- 3.33   0.130% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   67  15.68 +/- 4.82   0.355% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   67  13.55 +/- 1.94   0.163% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 398 (4.40, 1.48, 42.31 ppm):
    22 chemical-shift based assignments, quality = 0.999, support = 5.61, residual support = 106.3:
    * O T HA    LEU   40 - HB3   LEU   40   2.55 +/- 0.31  64.227% * 97.5958% (1.00  10.0 10.00   5.62 106.44) =  99.845%  kept
          HA    LYS+  99 - HB3   LEU   40   9.79 +/- 8.17  18.869% *  0.4047% (0.25   1.0  1.00   0.33   8.09) =   0.122%  kept
        T HA    GLU-  15 - HB3   LEU   40  14.53 +/- 4.41   1.320% *  0.9232% (0.95   1.0 10.00   0.02   0.02) =   0.019%
        T HA    ASN   35 - HB3   LEU   40   9.64 +/- 1.01   1.491% *  0.3663% (0.38   1.0 10.00   0.02   0.02) =   0.009%
          HA    PRO   58 - HB3   LEU   40  17.31 +/- 3.89   0.878% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB3   LEU   40  10.12 +/- 1.29   1.549% *  0.0366% (0.38   1.0  1.00   0.02   0.71) =   0.001%
          HA    GLN   17 - HB3   LEU   40  13.35 +/- 4.30   1.126% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB3   LEU   40  19.34 +/- 6.42   0.660% *  0.0513% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LEU   40 - HB3   LEU  115  18.50 +/- 3.22   0.289% *  0.1145% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB3   LEU   40  20.17 +/- 4.78   0.238% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  115   7.58 +/- 2.12   4.189% *  0.0047% (0.05   1.0  1.00   0.02   0.31) =   0.000%
          HA    PRO   58 - HB3   LEU  115  10.10 +/- 1.41   1.638% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU   40  20.12 +/- 3.91   0.314% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU   40  18.20 +/- 1.89   0.265% *  0.0438% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB3   LEU  115  25.26 +/- 3.03   0.088% *  0.1083% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU  115  11.38 +/- 2.66   1.826% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU  115  25.09 +/- 3.58   0.085% *  0.0430% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU  115  14.31 +/- 1.32   0.458% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU  115  20.88 +/- 3.86   0.185% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  115  30.17 +/- 3.26   0.054% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  115  19.43 +/- 2.70   0.175% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU  115  26.57 +/- 3.32   0.077% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 399 (1.94, 1.48, 42.31 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 106.4:
    * O T HB2   LEU   40 - HB3   LEU   40   1.75 +/- 0.00  96.756% * 99.4293% (1.00  10.0 10.00   4.26 106.44) =  99.998%  kept
        T HB2   LEU   67 - HB3   LEU   40   9.56 +/- 1.62   0.758% *  0.1534% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HB3   LEU   40  12.75 +/- 3.91   0.638% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU   40  13.76 +/- 3.26   0.269% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HB3   LEU  115  18.42 +/- 3.22   0.120% *  0.1167% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  22.63 +/- 6.02   0.168% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU   40  18.24 +/- 4.70   0.151% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.31 +/- 2.71   0.433% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU  115  12.87 +/- 2.46   0.316% *  0.0093% (0.09   1.0  1.00   0.02   0.14) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  16.46 +/- 2.63   0.161% *  0.0180% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU   40  25.09 +/- 4.14   0.041% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  18.12 +/- 4.10   0.143% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU  115  27.73 +/- 3.87   0.032% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU  115  35.45 +/- 4.45   0.014% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 400 (1.48, 1.48, 42.31 ppm):
    2 diagonal assignments:
    *     HB3   LEU   40 - HB3   LEU   40  (1.00)  kept
          HB3   LEU  115 - HB3   LEU  115  (0.04)  kept
 
    Peak 401 (4.88, 4.88, 60.22 ppm):
    1 diagonal assignment:
    *     HA    VAL   41 - HA    VAL   41  (1.00)  kept
 
    Peak 402 (1.84, 4.88, 60.22 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.31, residual support = 76.5:
    * O T HB    VAL   41 - HA    VAL   41   2.71 +/- 0.26  73.913% * 99.0830% (0.69  10.0 10.00   4.31  76.54) =  99.970%  kept
          HG12  ILE  103 - HA    VAL   41  11.22 +/- 4.83  12.365% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.020%
          QB    LYS+  81 - HA    VAL   41  17.28 +/- 4.05   4.524% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE  103 - HA    VAL   41  13.47 +/- 4.78   1.723% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HA    VAL   41  12.53 +/- 4.02   1.706% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    VAL   41  10.37 +/- 1.21   1.641% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    VAL   41  12.53 +/- 2.63   0.944% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HA    VAL   41  12.29 +/- 1.56   0.883% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    VAL   41  19.73 +/- 3.61   0.298% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    VAL   41  12.91 +/- 2.91   0.978% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    VAL   41  22.27 +/- 2.36   0.150% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    VAL   41  21.57 +/- 3.49   0.216% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    VAL   41  19.06 +/- 2.98   0.364% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    VAL   41  18.03 +/- 2.21   0.295% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 403 (0.76, 4.88, 60.22 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.23, residual support = 76.0:
    * O T QG1   VAL   41 - HA    VAL   41   2.58 +/- 0.28  60.404% * 93.9458% (1.00  10.0 10.00   4.26  76.54) =  99.294%  kept
          QG1   VAL   43 - HA    VAL   41   6.47 +/- 1.15   7.531% *  4.9405% (0.95   1.0  1.00   1.11   1.82) =   0.651%  kept
        T QG2   VAL   18 - HA    VAL   41   9.28 +/- 2.54   2.249% *  0.7180% (0.76   1.0 10.00   0.02   0.02) =   0.028%
          QD2   LEU   73 - HA    VAL   41   5.89 +/- 2.17  19.070% *  0.0421% (0.45   1.0  1.00   0.02   0.02) =   0.014%
        T QD2   LEU  104 - HA    VAL   41   9.83 +/- 4.23   1.938% *  0.1859% (0.20   1.0 10.00   0.02   0.02) =   0.006%
          HG    LEU   31 - HA    VAL   41   8.83 +/- 2.08   2.529% *  0.0570% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   19 - HA    VAL   41   8.70 +/- 2.97   4.729% *  0.0290% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HA    VAL   41  11.67 +/- 1.72   1.057% *  0.0608% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HA    VAL   41  14.45 +/- 2.30   0.493% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 404 (0.55, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.95, residual support = 76.5:
    * O T QG2   VAL   41 - HA    VAL   41   2.61 +/- 0.52  83.570% * 99.7508% (1.00  10.0 10.00   3.95  76.54) =  99.983%  kept
          QD2   LEU   98 - HA    VAL   41   7.69 +/- 4.31  10.144% *  0.0944% (0.95   1.0  1.00   0.02  20.04) =   0.011%
          QD2   LEU   63 - HA    VAL   41   9.04 +/- 2.02   4.278% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   80 - HA    VAL   41  13.87 +/- 4.76   2.008% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 405 (4.88, 1.84, 34.57 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.31, residual support = 76.5:
    * O T HA    VAL   41 - HB    VAL   41   2.71 +/- 0.26  97.816% * 99.8595% (0.69  10.0 10.00   4.31  76.54) =  99.998%  kept
          HA    PHE   45 - HB    VAL   41  12.37 +/- 1.69   1.306% *  0.0606% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HB    VAL   41  18.01 +/- 5.46   0.878% *  0.0800% (0.55   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 406 (1.84, 1.84, 34.57 ppm):
    1 diagonal assignment:
    *     HB    VAL   41 - HB    VAL   41  (0.47)  kept
 
    Peak 407 (0.76, 1.84, 34.57 ppm):
    9 chemical-shift based assignments, quality = 0.686, support = 4.32, residual support = 76.2:
    * O T QG1   VAL   41 - HB    VAL   41   2.12 +/- 0.02  67.081% * 92.9878% (0.69  10.0 10.00   4.33  76.54) =  99.560%  kept
          QG1   VAL   43 - HB    VAL   41   6.22 +/- 1.25   3.902% *  5.9099% (0.65   1.0  1.00   1.34   1.82) =   0.368%  kept
        T QG2   VAL   18 - HB    VAL   41   9.86 +/- 2.67   4.264% *  0.7106% (0.52   1.0 10.00   0.02   0.02) =   0.048%
          QD2   LEU   73 - HB    VAL   41   6.15 +/- 2.54  14.221% *  0.0417% (0.31   1.0  1.00   0.02   0.02) =   0.009%
        T QD2   LEU  104 - HB    VAL   41   9.16 +/- 4.49   3.078% *  0.1840% (0.14   1.0 10.00   0.02   0.02) =   0.009%
          HG    LEU   31 - HB    VAL   41   7.67 +/- 2.67   4.102% *  0.0564% (0.42   1.0  1.00   0.02   0.02) =   0.004%
          QD1   ILE   19 - HB    VAL   41   8.87 +/- 2.92   2.569% *  0.0287% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HB    VAL   41  12.08 +/- 1.99   0.545% *  0.0602% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HB    VAL   41  15.09 +/- 2.20   0.238% *  0.0207% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 408 (0.55, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.24, residual support = 76.1:
    * O T QG2   VAL   41 - HB    VAL   41   2.13 +/- 0.02  77.309% * 97.0363% (0.69  10.0 10.00   4.26  76.54) =  99.237%  kept
          QD2   LEU   98 - HB    VAL   41   6.66 +/- 4.58  20.449% *  2.8131% (0.65   1.0  1.00   0.61  20.04) =   0.761%  kept
          QD1   LEU   80 - HB    VAL   41  13.70 +/- 5.00   1.175% *  0.0918% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB    VAL   41  10.04 +/- 2.16   1.066% *  0.0589% (0.42   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 409 (4.88, 0.55, 21.65 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.95, residual support = 76.5:
    * O T HA    VAL   41 - QG2   VAL   41   2.61 +/- 0.52  95.748% * 99.8595% (1.00  10.0 10.00   3.95  76.54) =  99.997%  kept
          HA    PHE   45 - QG2   VAL   41  10.31 +/- 1.19   3.351% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HA    HIS  122 - QG2   VAL   41  15.79 +/- 4.60   0.901% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 410 (1.84, 0.55, 21.65 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.26, residual support = 76.5:
    * O T HB    VAL   41 - QG2   VAL   41   2.13 +/- 0.02  72.810% * 99.0830% (0.69  10.0 10.00   4.26  76.54) =  99.968%  kept
          HG12  ILE  103 - QG2   VAL   41   8.23 +/- 4.23  13.923% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.023%
          HB    ILE  103 - QG2   VAL   41  10.15 +/- 4.30   1.990% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  81 - QG2   VAL   41  14.01 +/- 3.70   4.599% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - QG2   VAL   41  10.54 +/- 3.28   1.657% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QG2   VAL   41   7.90 +/- 1.68   2.060% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QG2   VAL   41  12.50 +/- 2.25   0.557% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QG2   VAL   41  12.03 +/- 1.22   0.446% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   VAL   41  10.37 +/- 2.72   0.974% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   41  17.90 +/- 3.08   0.167% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   41  19.54 +/- 2.01   0.109% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   41  15.41 +/- 2.16   0.305% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   VAL   41  15.54 +/- 2.66   0.275% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   VAL   41  19.32 +/- 2.79   0.129% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 411 (0.76, 0.55, 21.65 ppm):
    9 chemical-shift based assignments, quality = 0.997, support = 3.97, residual support = 75.4:
    * O T QG1   VAL   41 - QG2   VAL   41   2.07 +/- 0.06  56.008% * 89.6327% (1.00  10.0 10.00   4.01  76.54) =  98.510%  kept
          QG1   VAL   43 - QG2   VAL   41   4.94 +/- 1.10   6.795% *  7.6405% (0.95   1.0  1.00   1.80   1.82) =   1.019%  kept
          QD2   LEU   73 - QG2   VAL   41   5.21 +/- 2.31  16.888% *  0.7188% (0.45   1.0  1.00   0.36   0.02) =   0.238%  kept
          HG    LEU   31 - QG2   VAL   41   6.09 +/- 2.69   9.084% *  1.0400% (0.61   1.0  1.00   0.38   0.02) =   0.185%  kept
        T QG2   VAL   18 - QG2   VAL   41   8.61 +/- 1.99   2.442% *  0.6850% (0.76   1.0 10.00   0.02   0.02) =   0.033%
        T QD2   LEU  104 - QG2   VAL   41   7.78 +/- 3.50   3.383% *  0.1774% (0.20   1.0 10.00   0.02   0.02) =   0.012%
          QD1   ILE   19 - QG2   VAL   41   7.37 +/- 2.70   4.412% *  0.0277% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - QG2   VAL   41  10.26 +/- 1.64   0.700% *  0.0580% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - QG2   VAL   41  13.11 +/- 2.02   0.289% *  0.0200% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 412 (0.55, 0.55, 21.65 ppm):
    1 diagonal assignment:
    *     QG2   VAL   41 - QG2   VAL   41  (1.00)  kept
 
    Peak 413 (4.44, 4.44, 60.39 ppm):
    2 diagonal assignments:
    *     HA    VAL   42 - HA    VAL   42  (1.00)  kept
          HA    PHE   55 - HA    PHE   55  (0.13)  kept
 
    Peak 414 (1.39, 4.44, 60.39 ppm):
    24 chemical-shift based assignments, quality = 0.864, support = 4.48, residual support = 88.3:
    * O T HB    VAL   42 - HA    VAL   42   2.73 +/- 0.25  59.718% * 89.5335% (0.87  10.0 10.00   4.54  89.91) =  98.179%  kept
          QB    LEU   98 - HA    VAL   42   6.98 +/- 3.91  12.738% *  6.5118% (0.76   1.0  1.00   1.65   0.37) =   1.523%  kept
        T HB2   LYS+ 112 - HA    PHE   55   8.08 +/- 3.41   6.609% *  1.9941% (0.16   1.0 10.00   0.24   1.20) =   0.242%  kept
          HB3   LEU   73 - HA    VAL   42   8.63 +/- 2.56   6.692% *  0.3232% (0.80   1.0  1.00   0.08   0.49) =   0.040%
        T HB2   LYS+ 112 - HA    VAL   42  17.73 +/- 2.54   0.272% *  0.7090% (0.69   1.0 10.00   0.02   0.02) =   0.004%
          HG3   LYS+ 106 - HA    VAL   42   9.06 +/- 3.30   3.121% *  0.0584% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LYS+  74 - HA    VAL   42  10.73 +/- 2.64   2.123% *  0.0502% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HA    VAL   42  14.58 +/- 5.78   1.527% *  0.0463% (0.45   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   42 - HA    PHE   55  17.90 +/- 3.06   0.293% *  0.2107% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HA    VAL   42  12.94 +/- 1.31   0.639% *  0.0953% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HA    VAL   42  13.95 +/- 1.78   0.627% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HA    VAL   42  15.06 +/- 5.02   0.569% *  0.0789% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HA    VAL   42  14.60 +/- 3.80   0.863% *  0.0319% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HA    PHE   55  17.92 +/- 4.20   1.942% *  0.0118% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    VAL   42  19.77 +/- 2.67   0.207% *  0.0996% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   55  19.59 +/- 4.26   0.439% *  0.0195% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    PHE   55  16.18 +/- 1.88   0.374% *  0.0211% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   55  17.83 +/- 2.73   0.324% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    PHE   55  22.58 +/- 4.74   0.372% *  0.0075% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    PHE   55  21.15 +/- 2.14   0.149% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   55  19.77 +/- 2.45   0.188% *  0.0138% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    PHE   55  28.25 +/- 4.42   0.094% *  0.0224% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    PHE   55  29.07 +/- 3.73   0.059% *  0.0234% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   55  29.46 +/- 3.34   0.059% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 415 (0.37, 4.44, 60.39 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 89.9:
    * O T QG1   VAL   42 - HA    VAL   42   2.55 +/- 0.30  81.954% * 98.1799% (0.97  10.0 10.00   4.00  89.91) =  99.961%  kept
        T QB    ALA   64 - HA    VAL   42   7.09 +/- 1.36   8.627% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.022%
        T QB    ALA   47 - HA    VAL   42  13.93 +/- 1.65   0.760% *  1.0151% (1.00   1.0 10.00   0.02   0.02) =   0.010%
        T QB    ALA   47 - HA    PHE   55  10.82 +/- 1.21   1.276% *  0.2389% (0.23   1.0 10.00   0.02   0.02) =   0.004%
        T QG1   VAL   42 - HA    PHE   55  13.66 +/- 2.17   0.860% *  0.2311% (0.23   1.0 10.00   0.02   0.02) =   0.002%
          HG2   LYS+ 112 - HA    PHE   55   8.30 +/- 3.03   5.201% *  0.0164% (0.16   1.0  1.00   0.02   1.20) =   0.001%
        T QB    ALA   64 - HA    PHE   55  13.37 +/- 1.99   0.974% *  0.0474% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - HA    VAL   42  17.66 +/- 3.25   0.348% *  0.0699% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 416 (0.15, 4.44, 60.39 ppm):
    4 chemical-shift based assignments, quality = 0.8, support = 3.99, residual support = 89.7:
    * O T QG2   VAL   42 - HA    VAL   42   2.62 +/- 0.52  90.905% * 96.8205% (0.80  10.0 10.00   4.00  89.91) =  99.757%  kept
          QG2   VAL   75 - HA    VAL   42   7.15 +/- 1.82   7.227% *  2.9332% (0.65   1.0  1.00   0.75   0.02) =   0.240%  kept
        T QG2   VAL   42 - HA    PHE   55  14.83 +/- 2.72   1.190% *  0.2279% (0.19   1.0 10.00   0.02   0.02) =   0.003%
          QG2   VAL   75 - HA    PHE   55  15.52 +/- 2.53   0.678% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 417 (4.44, 1.39, 32.90 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.53, residual support = 89.9:
    * O T HA    VAL   42 - HB    VAL   42   2.73 +/- 0.25  77.258% * 97.9628% (0.87  10.0 10.00   4.54  89.91) =  99.944%  kept
        T HA    PHE   55 - HB2   LYS+ 112   8.08 +/- 3.41   8.421% *  0.3914% (0.35   1.0 10.00   0.02   1.20) =   0.044%
        T HA    VAL   42 - HB2   LYS+ 112  17.73 +/- 2.54   0.358% *  0.6913% (0.61   1.0 10.00   0.02   0.02) =   0.003%
        T HA    PHE   55 - HB    VAL   42  17.90 +/- 3.06   0.377% *  0.5546% (0.49   1.0 10.00   0.02   0.02) =   0.003%
          HA    THR   46 - HB2   LYS+ 112  12.69 +/- 4.03   5.103% *  0.0364% (0.32   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN   17 - HB    VAL   42  13.11 +/- 3.46   1.376% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - HB2   LYS+ 112   8.20 +/- 1.26   4.164% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB    VAL   42  13.00 +/- 1.07   0.847% *  0.0515% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB    VAL   42  14.54 +/- 1.24   0.565% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL   42  16.76 +/- 2.24   0.395% *  0.0368% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB    VAL   42  16.43 +/- 2.64   0.502% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB2   LYS+ 112  17.88 +/- 3.43   0.415% *  0.0259% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LYS+ 112  24.58 +/- 4.65   0.152% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LYS+ 112  30.48 +/- 3.31   0.066% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 418 (1.39, 1.39, 32.90 ppm):
    2 diagonal assignments:
    *     HB    VAL   42 - HB    VAL   42  (0.75)  kept
          HB2   LYS+ 112 - HB2   LYS+ 112  (0.42)  kept
 
    Peak 419 (0.37, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.739, support = 5.04, residual support = 124.3:
    * O T QG1   VAL   42 - HB    VAL   42   2.12 +/- 0.02  52.929% * 64.9570% (0.84  10.0 10.00   4.54  89.91) =  76.622%  kept
      O T HG2   LYS+ 112 - HB2   LYS+ 112   2.55 +/- 0.23  31.984% * 32.6287% (0.42  10.0 10.00   6.74 238.14) =  23.258%  kept
          QB    ALA   64 - HB    VAL   42   5.77 +/- 1.63  12.638% *  0.3386% (0.17   1.0  1.00   0.51   0.02) =   0.095%
        T QB    ALA   47 - HB2   LYS+ 112  11.47 +/- 3.22   1.463% *  0.4740% (0.61   1.0 10.00   0.02   0.02) =   0.015%
        T QB    ALA   47 - HB    VAL   42  14.13 +/- 1.71   0.241% *  0.6716% (0.87   1.0 10.00   0.02   0.02) =   0.004%
        T QG1   VAL   42 - HB2   LYS+ 112  12.71 +/- 2.41   0.351% *  0.4584% (0.59   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   LYS+ 112 - HB    VAL   42  17.13 +/- 3.65   0.162% *  0.4623% (0.60   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   64 - HB2   LYS+ 112  14.19 +/- 2.25   0.231% *  0.0094% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 420 (0.15, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.695, support = 4.42, residual support = 89.9:
    * O T QG2   VAL   42 - HB    VAL   42   2.12 +/- 0.01  96.342% * 99.1635% (0.69  10.0 10.00   4.42  89.91) =  99.994%  kept
        T QG2   VAL   42 - HB2   LYS+ 112  14.07 +/- 2.57   0.461% *  0.6998% (0.49   1.0 10.00   0.02   0.02) =   0.003%
          QG2   VAL   75 - HB    VAL   42   7.57 +/- 1.48   2.866% *  0.0801% (0.56   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL   75 - HB2   LYS+ 112  15.73 +/- 2.74   0.331% *  0.0565% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 422 (1.39, 0.37, 21.48 ppm):
    24 chemical-shift based assignments, quality = 0.836, support = 4.51, residual support = 89.3:
    * O T HB    VAL   42 - QG1   VAL   42   2.12 +/- 0.02  66.434% * 93.6567% (0.84  10.0 10.00   4.54  89.91) =  99.317%  kept
          HB3   LEU   73 - QG1   VAL   42   7.24 +/- 2.22  14.027% *  2.8515% (0.77   1.0  1.00   0.66   0.49) =   0.638%  kept
        T HB2   LYS+ 112 - QB    ALA   47  11.47 +/- 3.22   1.759% *  0.6405% (0.57   1.0 10.00   0.02   0.02) =   0.018%
        T HB2   LYS+ 112 - QG1   VAL   42  12.71 +/- 2.41   0.440% *  0.7417% (0.66   1.0 10.00   0.02   0.02) =   0.005%
        T HB    VAL   42 - QB    ALA   47  14.13 +/- 1.71   0.308% *  0.8088% (0.72   1.0 10.00   0.02   0.02) =   0.004%
          QB    LEU   98 - QG1   VAL   42   7.38 +/- 2.54   2.729% *  0.0825% (0.74   1.0  1.00   0.02   0.37) =   0.004%
          HG3   LYS+ 106 - QG1   VAL   42   7.69 +/- 2.30   2.364% *  0.0611% (0.55   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - QG1   VAL   42   8.36 +/- 2.25   2.486% *  0.0526% (0.47   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - QG1   VAL   42  10.30 +/- 1.93   1.282% *  0.0937% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - QG1   VAL   42  11.31 +/- 4.22   1.660% *  0.0484% (0.43   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QB    ALA   47  13.97 +/- 3.31   1.472% *  0.0528% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QG1   VAL   42  12.31 +/- 1.63   0.447% *  0.0997% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - QB    ALA   47  14.59 +/- 4.29   0.516% *  0.0809% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - QB    ALA   47  12.41 +/- 3.41   1.289% *  0.0288% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QG1   VAL   42  14.07 +/- 3.43   0.332% *  0.0825% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QB    ALA   47  15.03 +/- 2.44   0.357% *  0.0713% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    ALA   47  14.15 +/- 1.78   0.276% *  0.0747% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG1   VAL   42  12.41 +/- 2.90   0.578% *  0.0333% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    ALA   47  13.13 +/- 2.71   0.408% *  0.0454% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   42  17.13 +/- 2.49   0.168% *  0.1042% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   47  17.61 +/- 3.99   0.354% *  0.0418% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QB    ALA   47  21.45 +/- 3.31   0.127% *  0.0861% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QB    ALA   47  22.08 +/- 3.85   0.124% *  0.0713% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    ALA   47  23.27 +/- 3.31   0.064% *  0.0900% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 423 (0.37, 0.37, 21.48 ppm):
    2 diagonal assignments:
    *     QG1   VAL   42 - QG1   VAL   42  (0.93)  kept
          QB    ALA   47 - QB    ALA   47  (0.83)  kept
 
    Peak 424 (0.15, 0.37, 21.48 ppm):
    4 chemical-shift based assignments, quality = 0.772, support = 3.99, residual support = 89.7:
    * O T QG2   VAL   42 - QG1   VAL   42   2.04 +/- 0.06  91.241% * 96.1881% (0.77  10.0 10.00   4.00  89.91) =  99.774%  kept
          QG2   VAL   75 - QG1   VAL   42   5.91 +/- 1.61   6.497% *  2.9141% (0.62   1.0  1.00   0.75   0.02) =   0.215%  kept
        T QG2   VAL   42 - QB    ALA   47  11.44 +/- 1.82   0.999% *  0.8307% (0.67   1.0 10.00   0.02   0.02) =   0.009%
          QG2   VAL   75 - QB    ALA   47  10.00 +/- 2.50   1.264% *  0.0671% (0.54   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 425 (4.44, 0.15, 20.83 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 89.9:
    * O T HA    VAL   42 - QG2   VAL   42   2.62 +/- 0.52  88.937% * 99.2010% (0.80  10.0 10.00   4.00  89.91) =  99.987%  kept
        T HA    PHE   55 - QG2   VAL   42  14.83 +/- 2.72   1.168% *  0.5616% (0.45   1.0 10.00   0.02   0.02) =   0.007%
          HA    GLN   17 - QG2   VAL   42  11.67 +/- 3.19   3.231% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR   46 - QG2   VAL   42  10.52 +/- 1.15   2.435% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - QG2   VAL   42  12.55 +/- 0.98   1.256% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   90 - QG2   VAL   42  13.37 +/- 2.33   1.810% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - QG2   VAL   42  13.34 +/- 2.12   1.164% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 426 (1.39, 0.15, 20.83 ppm):
    12 chemical-shift based assignments, quality = 0.694, support = 4.41, residual support = 89.7:
    * O T HB    VAL   42 - QG2   VAL   42   2.12 +/- 0.01  77.734% * 96.0207% (0.69  10.0 10.00   4.42  89.91) =  99.818%  kept
          QB    LEU   98 - QG2   VAL   42   7.36 +/- 3.22   4.815% *  2.2823% (0.61   1.0  1.00   0.54   0.37) =   0.147%  kept
          HB3   LEU   73 - QG2   VAL   42   7.91 +/- 2.04   4.610% *  0.3467% (0.64   1.0  1.00   0.08   0.49) =   0.021%
        T HB2   LYS+ 112 - QG2   VAL   42  14.07 +/- 2.57   0.372% *  0.7604% (0.55   1.0 10.00   0.02   0.02) =   0.004%
          HB3   LYS+  74 - QG2   VAL   42   9.24 +/- 2.47   4.199% *  0.0539% (0.39   1.0  1.00   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - QG2   VAL   42  11.53 +/- 5.30   3.448% *  0.0496% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - QG2   VAL   42   8.59 +/- 2.68   2.008% *  0.0627% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  33 - QG2   VAL   42  11.59 +/- 1.77   0.831% *  0.1022% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - QG2   VAL   42  10.68 +/- 1.67   0.829% *  0.0960% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QG2   VAL   42  13.85 +/- 4.10   0.420% *  0.0846% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG2   VAL   42  16.86 +/- 2.38   0.204% *  0.1068% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   VAL   42  13.16 +/- 3.00   0.531% *  0.0342% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (0.37, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.772, support = 4.0, residual support = 89.8:
    * O T QG1   VAL   42 - QG2   VAL   42   2.04 +/- 0.06  85.178% * 98.3974% (0.77  10.0 10.00   4.00  89.91) =  99.906%  kept
          QB    ALA   64 - QG2   VAL   42   5.32 +/- 1.20  13.405% *  0.5152% (0.16   1.0  1.00   0.51   0.02) =   0.082%
        T QB    ALA   47 - QG2   VAL   42  11.44 +/- 1.82   0.938% *  1.0173% (0.80   1.0 10.00   0.02   0.02) =   0.011%
          HG2   LYS+ 112 - QG2   VAL   42  14.05 +/- 3.30   0.479% *  0.0700% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 428 (0.15, 0.15, 20.83 ppm):
    1 diagonal assignment:
    *     QG2   VAL   42 - QG2   VAL   42  (0.64)  kept
 
    Peak 429 (4.67, 4.67, 60.29 ppm):
    1 diagonal assignment:
    *     HA    VAL   43 - HA    VAL   43  (1.00)  kept
 
    Peak 430 (1.77, 4.67, 60.29 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 61.0:
    * O T HB    VAL   43 - HA    VAL   43   2.80 +/- 0.21  94.755% * 99.7401% (0.97  10.0 10.00   3.30  61.01) =  99.995%  kept
          QD    LYS+  81 - HA    VAL   43  14.67 +/- 3.37   2.710% *  0.1024% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LYS+  99 - HA    VAL   43  12.75 +/- 3.09   1.430% *  0.1031% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   17 - HA    VAL   43  15.15 +/- 2.94   1.105% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 431 (0.76, 4.67, 60.29 ppm):
    9 chemical-shift based assignments, quality = 0.895, support = 4.49, residual support = 60.7:
    * O T QG1   VAL   43 - HA    VAL   43   2.74 +/- 0.34  63.897% * 97.7719% (0.90  10.0 10.00   4.51  61.01) =  99.528%  kept
          QD2   LEU   73 - HA    VAL   43   5.79 +/- 1.93  15.376% *  1.8342% (0.53   1.0  1.00   0.64   2.38) =   0.449%  kept
          QG1   VAL   41 - HA    VAL   43   7.06 +/- 0.70   4.819% *  0.1081% (0.99   1.0  1.00   0.02   1.82) =   0.008%
          QG2   VAL   18 - HA    VAL   43   9.39 +/- 2.44   4.745% *  0.0749% (0.69   1.0  1.00   0.02   0.02) =   0.006%
          QG2   THR   46 - HA    VAL   43   7.60 +/- 1.16   4.305% *  0.0617% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   31 - HA    VAL   43  10.06 +/- 2.62   2.731% *  0.0749% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   19 - HA    VAL   43  10.65 +/- 2.05   1.744% *  0.0272% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HA    VAL   43  11.87 +/- 1.99   0.989% *  0.0303% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    VAL   43  10.85 +/- 2.31   1.394% *  0.0168% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (0.06, 4.67, 60.29 ppm):
    3 chemical-shift based assignments, quality = 0.688, support = 2.95, residual support = 59.8:
    * O T QG2   VAL   43 - HA    VAL   43   2.31 +/- 0.40  87.222% * 76.1731% (0.69  10.0 10.00   3.00  61.01) =  98.048%  kept
        T QD2   LEU   31 - HA    VAL   43   7.76 +/- 2.03   5.550% * 23.7961% (0.73   1.0 10.00   0.59   0.02) =   1.949%  kept
          QG2   VAL   83 - HA    VAL   43   8.33 +/- 2.76   7.228% *  0.0308% (0.28   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 5.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 433 (4.67, 1.77, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 61.0:
    * O T HA    VAL   43 - HB    VAL   43   2.80 +/- 0.21  90.928% * 99.8083% (0.97  10.0 10.00   3.30  61.01) =  99.993%  kept
          HA    HIS   22 - HB    VAL   43  13.08 +/- 3.51   6.576% *  0.0799% (0.77   1.0  1.00   0.02   0.02) =   0.006%
          HA    ASN   69 - HB    VAL   43  16.03 +/- 2.45   0.741% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   71 - HB    VAL   43  12.07 +/- 2.02   1.755% *  0.0222% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 434 (1.77, 1.77, 34.62 ppm):
    1 diagonal assignment:
    *     HB    VAL   43 - HB    VAL   43  (0.93)  kept
 
    Peak 435 (0.76, 1.77, 34.62 ppm):
    9 chemical-shift based assignments, quality = 0.866, support = 3.87, residual support = 60.9:
    * O T QG1   VAL   43 - HB    VAL   43   2.13 +/- 0.01  86.628% * 89.8019% (0.87  10.0 10.00   3.88  61.01) =  99.754%  kept
        T QG1   VAL   41 - HB    VAL   43   8.08 +/- 0.93   1.944% *  9.1249% (0.96   1.0 10.00   0.18   1.82) =   0.227%  kept
        T QG2   VAL   18 - HB    VAL   43  10.90 +/- 2.34   1.097% *  0.6878% (0.66   1.0 10.00   0.02   0.02) =   0.010%
          QD2   LEU   73 - HB    VAL   43   7.02 +/- 1.64   3.697% *  0.0527% (0.51   1.0  1.00   0.02   2.38) =   0.002%
        T QD2   LEU  104 - HB    VAL   43  10.18 +/- 2.21   1.187% *  0.1545% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HB    VAL   43   8.32 +/- 1.23   2.910% *  0.0567% (0.55   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - HB    VAL   43  10.36 +/- 2.65   1.223% *  0.0688% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HB    VAL   43  12.21 +/- 2.20   0.657% *  0.0278% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   43  11.82 +/- 1.98   0.657% *  0.0250% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 436 (0.06, 1.77, 34.62 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 2.84, residual support = 60.2:
    * O T QG2   VAL   43 - HB    VAL   43   2.12 +/- 0.01  82.006% * 71.2094% (0.66  10.0 10.00   2.87  61.01) =  98.637%  kept
        T QD2   LEU   31 - HB    VAL   43   8.08 +/- 1.86   2.552% * 28.2290% (0.70   1.0 10.00   0.75   0.02) =   1.217%  kept
          QG2   VAL   83 - HB    VAL   43   7.76 +/- 3.40  15.442% *  0.5615% (0.27   1.0  1.00   0.39   0.02) =   0.146%  kept
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 437 (4.67, 0.76, 21.16 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.51, residual support = 61.0:
    * O T HA    VAL   43 - QG1   VAL   43   2.74 +/- 0.34  83.689% * 99.8083% (0.90  10.0 10.00   4.51  61.01) =  99.987%  kept
          HA    HIS   22 - QG1   VAL   43  11.00 +/- 3.28  11.837% *  0.0799% (0.72   1.0  1.00   0.02   0.02) =   0.011%
          HA    ASN   69 - QG1   VAL   43  13.29 +/- 2.05   1.211% *  0.0895% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   71 - QG1   VAL   43  10.04 +/- 1.55   3.262% *  0.0222% (0.20   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 438 (1.77, 0.76, 21.16 ppm):
    4 chemical-shift based assignments, quality = 0.865, support = 3.88, residual support = 61.0:
    * O T HB    VAL   43 - QG1   VAL   43   2.13 +/- 0.01  96.972% * 99.7401% (0.87  10.0 10.00   3.88  61.01) =  99.997%  kept
          HB2   LYS+  99 - QG1   VAL   43   9.92 +/- 2.55   1.429% *  0.1031% (0.89   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  81 - QG1   VAL   43  12.14 +/- 3.05   1.156% *  0.1024% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QG1   VAL   43  14.21 +/- 2.38   0.443% *  0.0544% (0.47   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 439 (0.76, 0.76, 21.16 ppm):
    1 diagonal assignment:
    *     QG1   VAL   43 - QG1   VAL   43  (0.80)  kept
 
    Peak 440 (0.06, 0.76, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.616, support = 3.94, residual support = 59.8:
    * O T QG2   VAL   43 - QG1   VAL   43   2.05 +/- 0.06  80.079% * 71.2139% (0.62  10.0 10.00   4.00  61.01) =  97.971%  kept
        T QD2   LEU   31 - QG1   VAL   43   6.56 +/- 1.74   3.868% * 28.2308% (0.65   1.0 10.00   0.75   0.02) =   1.876%  kept
          QG2   VAL   83 - QG1   VAL   43   6.51 +/- 2.80  16.052% *  0.5553% (0.25   1.0  1.00   0.39   0.02) =   0.153%  kept
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 442 (1.77, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.661, support = 2.86, residual support = 60.8:
    * O T HB    VAL   43 - QG2   VAL   43   2.12 +/- 0.01  91.606% * 90.0132% (0.66  10.0 10.00   2.87  61.01) =  99.663%  kept
        T HB    VAL   43 - QD2   LEU   31   8.08 +/- 1.86   2.849% *  9.6849% (0.19   1.0 10.00   0.75   0.02) =   0.334%  kept
          QD    LYS+  81 - QG2   VAL   43  11.89 +/- 3.07   1.028% *  0.0924% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QG2   VAL   43  10.72 +/- 2.60   1.004% *  0.0931% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QD2   LEU   31  10.89 +/- 3.74   1.648% *  0.0267% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QG2   VAL   43  13.58 +/- 2.47   0.762% *  0.0491% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU   31  12.41 +/- 2.12   0.723% *  0.0141% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   31  15.44 +/- 3.66   0.381% *  0.0265% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 443 (0.76, 0.06, 21.48 ppm):
    18 chemical-shift based assignments, quality = 0.534, support = 4.3, residual support = 89.0:
    * O T QG1   VAL   43 - QG2   VAL   43   2.05 +/- 0.06  32.051% * 79.1719% (0.62  10.0 10.00   4.00  61.01) =  82.898%  kept
      O T HG    LEU   31 - QD2   LEU   31   2.11 +/- 0.02  29.205% * 17.3987% (0.14  10.0 10.00   5.88 231.30) =  16.600%  kept
          QD2   LEU   73 - QG2   VAL   43   5.43 +/- 1.75   4.078% *  1.7417% (0.36   1.0  1.00   0.75   2.38) =   0.232%  kept
          QG1   VAL   41 - QD2   LEU   31   4.73 +/- 2.13  13.353% *  0.4603% (0.20   1.0  1.00   0.37   0.02) =   0.201%  kept
        T HG    LEU   31 - QG2   VAL   43   7.95 +/- 2.95   1.271% *  0.6064% (0.47   1.0 10.00   0.02   0.02) =   0.025%
          QD2   LEU   73 - QD2   LEU   31   4.50 +/- 1.85   7.478% *  0.0865% (0.10   1.0  1.00   0.13   1.88) =   0.021%
        T QG1   VAL   43 - QD2   LEU   31   6.56 +/- 1.74   1.571% *  0.2272% (0.18   1.0 10.00   0.02   0.02) =   0.012%
          QG1   VAL   41 - QG2   VAL   43   6.40 +/- 1.21   1.459% *  0.0875% (0.68   1.0  1.00   0.02   1.82) =   0.004%
          QG2   VAL   18 - QG2   VAL   43   8.82 +/- 2.17   1.198% *  0.0606% (0.47   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - QG2   VAL   43   7.10 +/- 1.01   1.073% *  0.0500% (0.39   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL   18 - QD2   LEU   31   8.77 +/- 2.06   1.260% *  0.0174% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - QD2   LEU   31  11.18 +/- 2.58   1.164% *  0.0143% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - QD2   LEU   31   6.54 +/- 1.32   2.237% *  0.0063% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  10.80 +/- 2.44   0.491% *  0.0245% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   43   9.38 +/- 1.81   0.452% *  0.0220% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QG2   VAL   43   9.00 +/- 2.03   0.529% *  0.0136% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QD2   LEU   31   9.59 +/- 2.97   0.976% *  0.0039% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  14.52 +/- 2.74   0.155% *  0.0070% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 444 (0.06, 0.06, 21.48 ppm):
    2 diagonal assignments:
    *     QG2   VAL   43 - QG2   VAL   43  (0.47)  kept
          QD2   LEU   31 - QD2   LEU   31  (0.14)  kept
 
    Peak 445 (4.29, 4.29, 51.33 ppm):
    1 diagonal assignment:
    *     HA    ASP-  44 - HA    ASP-  44  (1.00)  kept
 
    Peak 446 (2.27, 4.29, 51.33 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.64, residual support = 39.9:
    * O T HB2   ASP-  44 - HA    ASP-  44   2.65 +/- 0.29  89.572% * 97.1917% (1.00  10.0 10.00   2.64  39.89) =  99.984%  kept
          HB3   PHE   72 - HA    ASP-  44   8.32 +/- 1.72   4.664% *  0.0953% (0.98   1.0  1.00   0.02   0.02) =   0.005%
        T QG    GLU-  15 - HA    ASP-  44  18.31 +/- 2.72   0.343% *  0.9527% (0.98   1.0 10.00   0.02   0.02) =   0.004%
        T QG    GLU-  14 - HA    ASP-  44  19.57 +/- 2.60   0.298% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          QG    GLN   90 - HA    ASP-  44  11.31 +/- 1.82   1.726% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE  119 - HA    ASP-  44  11.67 +/- 2.18   1.658% *  0.0629% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HA    ASP-  44  25.91 +/- 3.31   0.121% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HA    ASP-  44  11.39 +/- 1.14   1.251% *  0.0192% (0.20   1.0  1.00   0.02   0.19) =   0.000%
          HB2   GLU-  29 - HA    ASP-  44  18.11 +/- 2.05   0.366% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (1.34, 4.29, 51.33 ppm):
    13 chemical-shift based assignments, quality = 0.998, support = 4.12, residual support = 39.4:
    * O T HB3   ASP-  44 - HA    ASP-  44   2.68 +/- 0.25  75.322% * 77.2709% (1.00  10.0 10.00   4.16  39.89) =  98.885%  kept
        T QB    ALA   84 - HA    ASP-  44   9.33 +/- 1.73   2.906% * 22.1710% (0.80   1.0 10.00   0.72   0.02) =   1.095%  kept
          HB3   PRO   93 - HA    ASP-  44   7.70 +/- 1.34   7.066% *  0.0591% (0.76   1.0  1.00   0.02   0.02) =   0.007%
          HB2   LEU   63 - HA    ASP-  44   8.59 +/- 1.94   4.096% *  0.0757% (0.98   1.0  1.00   0.02   0.02) =   0.005%
          HB2   LEU   31 - HA    ASP-  44  14.99 +/- 2.63   2.526% *  0.0619% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   80 - HA    ASP-  44  12.31 +/- 3.30   1.558% *  0.0713% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HA    ASP-  44  11.65 +/- 2.06   1.320% *  0.0693% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HA    ASP-  44   9.61 +/- 2.17   2.735% *  0.0172% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    ASP-  44  14.80 +/- 2.75   0.681% *  0.0561% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HA    ASP-  44  19.03 +/- 2.01   0.242% *  0.0746% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ASP-  44  16.78 +/- 1.90   0.342% *  0.0346% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASP-  44  13.77 +/- 3.33   0.981% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ASP-  44  19.60 +/- 1.33   0.226% *  0.0264% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 448 (4.29, 2.27, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.64, residual support = 39.9:
    * O T HA    ASP-  44 - HB2   ASP-  44   2.65 +/- 0.29  87.649% * 98.1053% (1.00  10.0 10.00   2.64  39.89) =  99.991%  kept
          HB    THR   77 - HB2   ASP-  44  11.29 +/- 2.44   1.755% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   57 - HB2   ASP-  44   9.80 +/- 2.81   5.630% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T HA    MET   11 - HB2   ASP-  44  27.59 +/- 3.46   0.097% *  0.9789% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  14 - HB2   ASP-  44  21.02 +/- 3.09   0.240% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   ASP-  44  15.38 +/- 2.42   0.780% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB2   ASP-  44  13.95 +/- 2.14   0.802% *  0.0928% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB2   ASP-  44  13.40 +/- 2.43   1.194% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   39 - HB2   ASP-  44  14.64 +/- 1.61   0.647% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ASP-  44  16.46 +/- 2.32   0.572% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ASP-  44  15.68 +/- 1.57   0.503% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  44  25.16 +/- 3.34   0.131% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 449 (2.27, 2.27, 38.87 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  44 - HB2   ASP-  44  (1.00)  kept
 
    Peak 450 (1.34, 2.27, 38.87 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.75, residual support = 39.9:
    * O T HB3   ASP-  44 - HB2   ASP-  44   1.75 +/- 0.00  88.747% * 99.2040% (1.00  10.0 10.00   2.75  39.89) =  99.990%  kept
          HB2   LEU   63 - HB2   ASP-  44   7.31 +/- 2.21   4.618% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.005%
          HB3   PRO   93 - HB2   ASP-  44   9.06 +/- 1.57   2.396% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - HB2   ASP-  44  14.78 +/- 2.72   1.340% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HB2   ASP-  44  10.31 +/- 1.77   0.770% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HB2   ASP-  44  12.73 +/- 3.30   0.413% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  44  12.66 +/- 2.21   0.299% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB2   ASP-  44  11.47 +/- 2.26   0.659% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   ASP-  44  16.19 +/- 2.90   0.173% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   ASP-  44  18.73 +/- 2.17   0.083% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  44  14.41 +/- 3.72   0.316% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   ASP-  44  17.18 +/- 2.47   0.108% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   ASP-  44  18.92 +/- 1.81   0.079% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 451 (4.29, 1.34, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.16, residual support = 39.9:
    * O T HA    ASP-  44 - HB3   ASP-  44   2.68 +/- 0.25  85.698% * 99.3093% (1.00  10.0 10.00   4.16  39.89) =  99.991%  kept
          HB    THR   77 - HB3   ASP-  44  10.76 +/- 2.87   3.042% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.004%
          HA    SER   85 - HB3   ASP-  44  14.82 +/- 2.59   1.375% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  79 - HB3   ASP-  44  13.04 +/- 2.77   1.992% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB3   ASP-  44   9.42 +/- 3.02   5.005% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB3   ASP-  44  14.33 +/- 1.86   0.635% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - HB3   ASP-  44  16.16 +/- 2.28   0.767% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   ASP-  44  15.78 +/- 1.64   0.525% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   ASP-  44  14.90 +/- 1.46   0.569% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  44  28.64 +/- 3.70   0.090% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  44  22.07 +/- 3.11   0.182% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  44  26.19 +/- 3.53   0.119% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 452 (2.27, 1.34, 38.87 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.75, residual support = 39.9:
    * O T HB2   ASP-  44 - HB3   ASP-  44   1.75 +/- 0.00  96.588% * 99.4398% (1.00  10.0 10.00   2.75  39.89) =  99.997%  kept
          HB3   PHE   72 - HB3   ASP-  44   8.36 +/- 1.49   1.325% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - HB3   ASP-  44  12.15 +/- 2.24   0.595% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - HB3   ASP-  44  11.42 +/- 2.70   0.571% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP-  44  11.49 +/- 1.80   0.584% *  0.0197% (0.20   1.0  1.00   0.02   0.19) =   0.000%
          QG    GLU-  15 - HB3   ASP-  44  18.22 +/- 2.55   0.100% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   ASP-  44  19.35 +/- 3.03   0.090% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP-  44  18.46 +/- 2.43   0.109% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   ASP-  44  25.84 +/- 3.58   0.037% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 453 (1.34, 1.34, 38.87 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  44 - HB3   ASP-  44  (1.00)  kept
 
    Peak 454 (4.86, 4.86, 58.73 ppm):
    1 diagonal assignment:
    *     HA    PHE   45 - HA    PHE   45  (1.00)  kept
 
    Peak 455 (3.05, 4.86, 58.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 79.8:
    * O T HB2   PHE   45 - HA    PHE   45   2.77 +/- 0.26  97.801% * 99.8680% (1.00  10.0 10.00   3.31  79.80) =  99.999%  kept
          QE    LYS+ 111 - HA    PHE   45  14.25 +/- 2.15   1.064% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HA    PHE   45  14.09 +/- 2.78   1.134% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 456 (2.42, 4.86, 58.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 79.8:
    * O T HB3   PHE   45 - HA    PHE   45   2.85 +/- 0.26  79.430% * 99.6736% (1.00  10.0 10.00   3.99  79.80) =  99.988%  kept
          QE    LYS+ 112 - HA    PHE   45  12.71 +/- 3.79   4.042% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.005%
          QG    GLN   32 - HA    PHE   45  19.38 +/- 4.08   9.842% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL  107 - HA    PHE   45  10.36 +/- 1.30   2.362% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HA    PHE   45  12.58 +/- 1.49   1.194% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HA    PHE   45  20.38 +/- 3.63   0.756% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HA    PHE   45  12.69 +/- 2.96   2.374% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 457 (4.86, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 79.8:
    * O T HA    PHE   45 - HB2   PHE   45   2.77 +/- 0.26  98.672% * 99.9145% (1.00  10.0 10.00   3.31  79.80) =  99.999%  kept
          HA    VAL   41 - HB2   PHE   45  13.34 +/- 1.13   1.020% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HB2   PHE   45  19.86 +/- 2.61   0.308% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 458 (3.05, 3.05, 39.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   45 - HB2   PHE   45  (1.00)  kept
 
    Peak 459 (2.42, 3.05, 39.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 79.8:
    * O T HB3   PHE   45 - HB2   PHE   45   1.75 +/- 0.00  85.779% * 99.6736% (1.00  10.0 10.00   3.31  79.80) =  99.995%  kept
          QG    GLN   32 - HB2   PHE   45  20.25 +/- 4.64  11.744% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.003%
          QE    LYS+ 112 - HB2   PHE   45  12.26 +/- 3.92   1.136% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  107 - HB2   PHE   45   9.47 +/- 1.00   0.620% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HB2   PHE   45  12.15 +/- 1.39   0.306% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   PHE   45  21.58 +/- 3.56   0.106% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   PHE   45  13.55 +/- 2.86   0.310% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 460 (4.86, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 79.8:
    * O T HA    PHE   45 - HB3   PHE   45   2.85 +/- 0.26  98.452% * 99.9145% (1.00  10.0 10.00   3.99  79.80) =  99.999%  kept
          HA    VAL   41 - HB3   PHE   45  13.35 +/- 1.02   1.160% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HB3   PHE   45  19.86 +/- 2.95   0.388% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 461 (3.05, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 79.8:
    * O T HB2   PHE   45 - HB3   PHE   45   1.75 +/- 0.00  99.437% * 99.8680% (1.00  10.0 10.00   3.31  79.80) = 100.000%  kept
          QE    LYS+ 111 - HB3   PHE   45  12.87 +/- 2.51   0.386% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB3   PHE   45  15.75 +/- 2.53   0.176% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 462 (2.42, 2.42, 39.30 ppm):
    1 diagonal assignment:
    *     HB3   PHE   45 - HB3   PHE   45  (1.00)  kept
 
    Peak 463 (4.42, 4.42, 58.68 ppm):
    3 diagonal assignments:
    *     HA    THR   46 - HA    THR   46  (1.00)  kept
          HA    SER   37 - HA    SER   37  (0.98)  kept
          HA    SER   13 - HA    SER   13  (0.39)  kept
 
    Peak 464 (3.44, 4.42, 58.68 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 34.2:
    * O T HB    THR   46 - HA    THR   46   2.54 +/- 0.15  95.234% * 98.0423% (1.00  10.0 10.00   2.96  34.25) =  99.995%  kept
          HA    LYS+ 112 - HA    THR   46  11.68 +/- 3.53   3.410% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.002%
        T HB    THR   46 - HA    SER   37  24.37 +/- 2.83   0.131% *  0.9714% (0.99   1.0 10.00   0.02   0.02) =   0.001%
        T HB    THR   46 - HA    SER   13  26.93 +/- 4.82   0.105% *  0.5934% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - HA    THR   46  18.53 +/- 3.21   0.475% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   37  22.58 +/- 6.61   0.369% *  0.0871% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   13  25.71 +/- 5.31   0.148% *  0.0532% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   37  29.02 +/- 3.02   0.072% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   13  32.52 +/- 3.57   0.056% *  0.0384% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 465 (0.75, 4.42, 58.68 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.2:
    * O T QG2   THR   46 - HA    THR   46   2.91 +/- 0.36  66.428% * 97.3989% (1.00  10.0 10.00   3.00  34.25) =  99.960%  kept
          QD1   ILE   19 - HA    SER   37   9.75 +/- 3.20   4.492% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.006%
          QG1   VAL   43 - HA    THR   46   9.17 +/- 1.41   4.407% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.006%
          QG2   VAL   18 - HA    SER   37  13.35 +/- 3.19   3.704% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.005%
        T QG2   THR   46 - HA    SER   37  19.86 +/- 2.80   0.310% *  0.9651% (0.99   1.0 10.00   0.02   0.02) =   0.005%
          QG1   VAL   41 - HA    SER   37   7.82 +/- 0.92   4.751% *  0.0624% (0.64   1.0  1.00   0.02   0.02) =   0.005%
          QD1   ILE   19 - HA    SER   13   9.10 +/- 2.33   4.329% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.003%
          QG2   VAL   18 - HA    THR   46  13.02 +/- 3.08   1.346% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T QG2   THR   46 - HA    SER   13  21.97 +/- 3.56   0.212% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL   18 - HA    SER   13  11.60 +/- 1.53   1.500% *  0.0578% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HA    SER   13  20.46 +/- 4.67   1.552% *  0.0405% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HA    SER   37  14.77 +/- 4.82   0.822% *  0.0663% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HA    THR   46  14.34 +/- 1.52   0.737% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HA    SER   37  15.02 +/- 1.50   0.567% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HA    SER   13  15.48 +/- 3.98   1.015% *  0.0381% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HA    THR   46  16.54 +/- 1.91   0.474% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HA    THR   46  16.61 +/- 1.80   0.553% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HA    THR   46  17.87 +/- 3.48   1.229% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   13  19.38 +/- 2.79   0.298% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   37  12.76 +/- 0.98   0.923% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   13  19.10 +/- 3.11   0.351% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 466 (4.42, 3.44, 70.99 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 34.2:
    * O T HA    THR   46 - HB    THR   46   2.54 +/- 0.15  92.373% * 98.0777% (1.00  10.0 10.00   2.96  34.25) =  99.993%  kept
          HA    PRO   58 - HB    THR   46  11.18 +/- 3.76   5.608% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.004%
        T HA    SER   37 - HB    THR   46  24.37 +/- 2.83   0.127% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.001%
        T HA    SER   13 - HB    THR   46  26.93 +/- 4.82   0.102% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB    THR   46  12.57 +/- 1.26   0.920% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB    THR   46  18.46 +/- 4.59   0.375% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    THR   46  17.55 +/- 1.72   0.318% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    THR   46  22.48 +/- 4.11   0.177% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 467 (3.44, 3.44, 70.99 ppm):
    1 diagonal assignment:
    *     HB    THR   46 - HB    THR   46  (1.00)  kept
 
    Peak 468 (0.75, 3.44, 70.99 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.2:
    * O T QG2   THR   46 - HB    THR   46   2.16 +/- 0.02  93.524% * 99.5878% (1.00  10.0 10.00   3.00  34.25) =  99.995%  kept
          QG1   VAL   43 - HB    THR   46   9.25 +/- 1.69   2.877% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          QG2   VAL   18 - HB    THR   46  11.85 +/- 3.49   1.216% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HB    THR   46  13.84 +/- 1.82   0.435% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    THR   46  15.54 +/- 2.32   0.306% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    THR   46  17.12 +/- 3.84   1.389% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    THR   46  16.59 +/- 1.84   0.253% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.42, 0.75, 18.88 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.2:
    * O T HA    THR   46 - QG2   THR   46   2.91 +/- 0.36  86.453% * 98.0777% (1.00  10.0 10.00   3.00  34.25) =  99.984%  kept
          HA    PRO   58 - QG2   THR   46   9.44 +/- 3.38   7.598% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.005%
        T HA    SER   37 - QG2   THR   46  19.86 +/- 2.80   0.408% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.005%
        T HA    SER   13 - QG2   THR   46  21.97 +/- 3.56   0.277% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   42 - QG2   THR   46  10.15 +/- 1.37   2.842% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN   17 - QG2   THR   46  15.07 +/- 3.51   1.014% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QG2   THR   46  14.26 +/- 1.99   0.942% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG2   THR   46  18.32 +/- 3.04   0.466% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 470 (3.44, 0.75, 18.88 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.2:
    * O T HB    THR   46 - QG2   THR   46   2.16 +/- 0.02  97.332% * 99.8459% (1.00  10.0 10.00   3.00  34.25) =  99.998%  kept
          HA    LYS+ 112 - QG2   THR   46  10.57 +/- 2.81   2.133% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - QG2   THR   46  14.84 +/- 2.85   0.535% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 471 (0.75, 0.75, 18.88 ppm):
    1 diagonal assignment:
    *     QG2   THR   46 - QG2   THR   46  (1.00)  kept
 
    Peak 472 (4.56, 4.56, 52.00 ppm):
    1 diagonal assignment:
    *     HA    ALA   47 - HA    ALA   47  (1.00)  kept
 
    Peak 473 (0.37, 4.56, 52.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.0, residual support = 10.8:
    * O T QB    ALA   47 - HA    ALA   47   2.13 +/- 0.02  97.117% * 99.0048% (0.95  10.0 10.00   2.00  10.83) =  99.991%  kept
        T QG1   VAL   42 - HA    ALA   47  12.04 +/- 1.57   0.874% *  0.9079% (0.87   1.0 10.00   0.02   0.02) =   0.008%
          HG2   LYS+ 112 - HA    ALA   47  14.93 +/- 4.16   1.441% *  0.0551% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   64 - HA    ALA   47  12.86 +/- 1.84   0.569% *  0.0323% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 474 (4.56, 0.37, 21.60 ppm):
    12 chemical-shift based assignments, quality = 0.932, support = 2.02, residual support = 10.8:
    * O T HA    ALA   47 - QB    ALA   47   2.13 +/- 0.02  62.482% * 89.7717% (0.95  10.0 10.00   2.00  10.83) =  97.383%  kept
          HA    CYS   50 - QB    ALA   47   3.64 +/- 1.05  23.109% *  5.5055% (0.42   1.0  1.00   2.74   7.01) =   2.209%  kept
          HA    TRP   49 - QB    ALA   47   4.74 +/- 0.26   6.057% *  3.7403% (0.26   1.0  1.00   3.00  16.20) =   0.393%  kept
        T HA    ALA   47 - QG1   VAL   42  12.04 +/- 1.57   0.586% *  0.6876% (0.72   1.0 10.00   0.02   0.02) =   0.007%
          HA    VAL  108 - QB    ALA   47  10.63 +/- 3.26   3.497% *  0.0880% (0.93   1.0  1.00   0.02   0.02) =   0.005%
          HA1   GLY  109 - QB    ALA   47  11.11 +/- 3.36   1.426% *  0.0369% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  108 - QG1   VAL   42   9.92 +/- 1.37   0.756% *  0.0674% (0.71   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   50 - QG1   VAL   42  13.29 +/- 2.20   0.397% *  0.0308% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QG1   VAL   42  12.56 +/- 1.89   0.414% *  0.0283% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QG1   VAL   42  11.73 +/- 1.82   0.757% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL   42  15.69 +/- 2.46   0.379% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    ALA   47  17.25 +/- 2.34   0.140% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 475 (0.37, 0.37, 21.60 ppm):
    2 diagonal assignments:
    *     QB    ALA   47 - QB    ALA   47  (0.89)  kept
          QG1   VAL   42 - QG1   VAL   42  (0.63)  kept
 
    Peak 476 (3.99, 3.99, 61.71 ppm):
    3 diagonal assignments:
    *     HA    SER   48 - HA    SER   48  (1.00)  kept
          HB2   SER   82 - HB2   SER   82  (0.35)  kept
          HA    VAL   70 - HA    VAL   70  (0.06)  kept
 
    Peak 477 (3.94, 3.99, 61.71 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 1.71, residual support = 9.23:
    * O T QB    SER   48 - HA    SER   48   2.29 +/- 0.09  78.208% * 96.0221% (1.00  10.0 10.00   1.71   9.23) =  99.956%  kept
        T QB    SER   85 - HB2   SER   82   5.52 +/- 0.45   6.006% *  0.2561% (0.27   1.0 10.00   0.02   2.90) =   0.020%
          HA2   GLY   51 - HA    SER   48   8.91 +/- 1.65   4.060% *  0.0861% (0.90   1.0  1.00   0.02   0.02) =   0.005%
        T QB    SER  117 - HA    SER   48  19.12 +/- 3.66   0.533% *  0.6212% (0.65   1.0 10.00   0.02   0.02) =   0.004%
        T QB    SER   85 - HA    SER   48  14.39 +/- 2.47   0.510% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.004%
        T QB    SER   48 - HB2   SER   82  14.42 +/- 3.12   0.579% *  0.4222% (0.44   1.0 10.00   0.02   0.02) =   0.003%
        T QB    SER   48 - HA    VAL   70  19.30 +/- 3.78   0.599% *  0.2188% (0.23   1.0 10.00   0.02   0.02) =   0.002%
          HB    THR   94 - HA    SER   48  12.00 +/- 1.38   0.632% *  0.0941% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HA2   GLY   16 - HA    SER   48  25.78 +/- 5.04   0.097% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HA    SER   48  17.03 +/- 5.20   0.885% *  0.0505% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T QB    SER  117 - HA    VAL   70  17.53 +/- 3.12   0.248% *  0.1415% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HB2   SER   82  24.89 +/- 3.65   0.115% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    VAL   70  11.66 +/- 5.55   2.141% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   48  24.44 +/- 4.91   0.276% *  0.0908% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    VAL   70  21.75 +/- 3.23   0.124% *  0.1327% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   48  23.44 +/- 4.72   0.173% *  0.0886% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    VAL   70   9.72 +/- 1.35   1.280% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   SER   82  14.90 +/- 1.85   0.322% *  0.0414% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    VAL   70  17.85 +/- 5.26   0.396% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   SER   82  25.81 +/- 6.23   0.317% *  0.0256% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    SER   48  14.81 +/- 2.62   0.444% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    VAL   70  18.23 +/- 4.44   0.317% *  0.0202% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    VAL   70  16.87 +/- 2.42   0.246% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   SER   82  23.10 +/- 3.91   0.128% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    VAL   70  22.33 +/- 4.73   0.216% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    VAL   70  11.10 +/- 1.40   0.877% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   SER   82  23.09 +/- 3.02   0.090% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   SER   82  30.30 +/- 3.49   0.044% *  0.0399% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   SER   82  30.51 +/- 3.58   0.042% *  0.0390% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   SER   82  22.22 +/- 2.41   0.095% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 478 (3.99, 3.94, 63.31 ppm):
    1 diagonal assignment:
          QB    SER   85 - QB    SER   85  (0.03)  kept
    Reference assignment not found: HA    SER   48 - QB    SER   48
 
    Peak 479 (3.94, 3.94, 63.31 ppm):
    3 diagonal assignments:
    *     QB    SER   48 - QB    SER   48  (1.00)  kept
          QB    SER  117 - QB    SER  117  (0.17)  kept
          QB    SER   85 - QB    SER   85  (0.15)  kept
 
    Peak 480 (4.58, 4.58, 54.06 ppm):
    2 diagonal assignments:
    *     HA    TRP   49 - HA    TRP   49  (1.00)  kept
          HA    CYS   50 - HA    CYS   50  (0.89)  kept
 
    Peak 481 (3.69, 4.58, 54.06 ppm):
    12 chemical-shift based assignments, quality = 0.994, support = 4.12, residual support = 76.9:
    * O T HB2   TRP   49 - HA    TRP   49   2.42 +/- 0.11  82.356% * 50.9151% (1.00  10.0 10.00   4.19  84.63) =  90.296%  kept
        T HB2   TRP   49 - HA    CYS   50   5.26 +/- 0.45   9.366% * 47.9899% (0.94   1.0 10.00   3.47   5.46) =   9.679%  kept
        T HA2   GLY  109 - HA    CYS   50  14.57 +/- 4.69   1.697% *  0.3843% (0.75   1.0 10.00   0.02   0.02) =   0.014%
        T HA2   GLY  109 - HA    TRP   49  17.55 +/- 4.85   0.719% *  0.4077% (0.80   1.0 10.00   0.02   0.02) =   0.006%
          HA    ILE  119 - HA    CYS   50  16.70 +/- 4.29   1.811% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR  118 - HA    CYS   50  17.99 +/- 4.64   1.522% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   84 - HA    CYS   50  15.59 +/- 2.53   0.477% *  0.0454% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    TRP   49  16.58 +/- 2.78   0.424% *  0.0482% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    TRP   49  21.81 +/- 4.67   0.393% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    TRP   49  20.60 +/- 4.26   0.308% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    CYS   50  14.78 +/- 2.67   0.538% *  0.0065% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    TRP   49  16.29 +/- 3.20   0.389% *  0.0069% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 482 (3.15, 4.58, 54.06 ppm):
    4 chemical-shift based assignments, quality = 0.83, support = 4.11, residual support = 76.2:
    * O T HB3   TRP   49 - HA    TRP   49   2.49 +/- 0.19  85.618% * 51.4295% (0.84  10.0 10.00   4.19  84.63) =  89.326%  kept
        T HB3   TRP   49 - HA    CYS   50   5.58 +/- 0.65  10.851% * 48.4748% (0.79   1.0 10.00   3.45   5.46) =  10.671%  kept
          HB3   PHE   59 - HA    CYS   50  12.08 +/- 2.54   2.177% *  0.0465% (0.75   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   59 - HA    TRP   49  16.03 +/- 2.90   1.354% *  0.0493% (0.80   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 483 (4.58, 3.69, 29.61 ppm):
    7 chemical-shift based assignments, quality = 0.995, support = 4.12, residual support = 76.9:
    * O T HA    TRP   49 - HB2   TRP   49   2.42 +/- 0.11  83.410% * 51.0809% (1.00  10.0 10.00   4.19  84.63) =  90.275%  kept
        T HA    CYS   50 - HB2   TRP   49   5.26 +/- 0.45   9.488% * 48.3205% (0.95   1.0 10.00   3.47   5.46) =   9.714%  kept
        T HA1   GLY  109 - HB2   TRP   49  16.97 +/- 5.00   0.879% *  0.4930% (0.97   1.0 10.00   0.02   0.02) =   0.009%
          HA    ALA   47 - HB2   TRP   49   7.10 +/- 0.65   4.192% *  0.0142% (0.28   1.0  1.00   0.02  16.20) =   0.001%
          HA    VAL  108 - HB2   TRP   49  17.29 +/- 4.61   1.768% *  0.0101% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB2   TRP   49  23.80 +/- 3.83   0.120% *  0.0483% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   TRP   49  28.94 +/- 5.52   0.143% *  0.0330% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 484 (3.69, 3.69, 29.61 ppm):
    1 diagonal assignment:
    *     HB2   TRP   49 - HB2   TRP   49  (1.00)  kept
 
    Peak 485 (3.15, 3.69, 29.61 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.12, residual support = 84.6:
    * O T HB3   TRP   49 - HB2   TRP   49   1.75 +/- 0.00  99.763% * 99.9042% (0.84  10.0 10.00   3.12  84.63) = 100.000%  kept
          HB3   PHE   59 - HB2   TRP   49  16.17 +/- 2.55   0.237% *  0.0958% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 486 (4.58, 3.15, 29.61 ppm):
    7 chemical-shift based assignments, quality = 0.83, support = 4.11, residual support = 76.2:
    * O T HA    TRP   49 - HB3   TRP   49   2.49 +/- 0.19  78.063% * 51.3085% (0.84  10.0 10.00   4.19  84.63) =  89.372%  kept
        T HA    CYS   50 - HB3   TRP   49   5.58 +/- 0.65   9.809% * 48.5358% (0.79   1.0 10.00   3.45   5.46) =  10.623%  kept
          HA1   GLY  109 - HB3   TRP   49  16.97 +/- 4.94   1.639% *  0.0495% (0.81   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   47 - HB3   TRP   49   6.59 +/- 0.38   4.659% *  0.0143% (0.23   1.0  1.00   0.02  16.20) =   0.001%
          HA    VAL  108 - HB3   TRP   49  17.13 +/- 4.73   5.533% *  0.0102% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - HB3   TRP   49  23.60 +/- 3.82   0.125% *  0.0485% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   TRP   49  28.61 +/- 5.42   0.171% *  0.0332% (0.54   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 487 (3.69, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.12, residual support = 84.6:
    * O T HB2   TRP   49 - HB3   TRP   49   1.75 +/- 0.00  98.546% * 99.6151% (0.84  10.0 10.00   3.12  84.63) =  99.999%  kept
          HA2   GLY  109 - HB3   TRP   49  16.88 +/- 5.01   0.795% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  119 - HB3   TRP   49  21.14 +/- 4.65   0.229% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB3   TRP   49  16.69 +/- 2.68   0.153% *  0.0942% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HB3   TRP   49  22.02 +/- 5.01   0.140% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   TRP   49  17.33 +/- 3.32   0.137% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 488 (3.15, 3.15, 29.61 ppm):
    1 diagonal assignment:
    *     HB3   TRP   49 - HB3   TRP   49  (0.70)  kept
 
    Peak 489 (4.58, 4.58, 54.04 ppm):
    2 diagonal assignments:
    *     HA    CYS   50 - HA    CYS   50  (1.00)  kept
          HA    TRP   49 - HA    TRP   49  (0.89)  kept
 
    Peak 490 (2.80, 4.58, 54.04 ppm):
    10 chemical-shift based assignments, quality = 0.994, support = 1.96, residual support = 7.66:
    * O T QB    CYS   50 - HA    CYS   50   2.23 +/- 0.12  82.777% * 51.3514% (1.00  10.0 10.00   1.83   7.92) =  89.396%  kept
        T QB    CYS   50 - HA    TRP   49   4.74 +/- 0.48  10.413% * 48.4012% (0.94   1.0 10.00   3.03   5.46) =  10.600%  kept
          QE    LYS+  74 - HA    TRP   49  14.94 +/- 4.33   1.219% *  0.0483% (0.94   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HA    TRP   49  14.07 +/- 7.19   2.642% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  74 - HA    CYS   50  13.44 +/- 3.40   0.699% *  0.0512% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HA    CYS   50  14.27 +/- 6.06   1.545% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASN   69 - HA    TRP   49  24.89 +/- 5.80   0.164% *  0.0388% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    CYS   50  22.82 +/- 4.27   0.127% *  0.0411% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    CYS   50  17.53 +/- 2.55   0.212% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    TRP   49  19.69 +/- 3.41   0.201% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 491 (4.58, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.993, support = 1.96, residual support = 7.66:
    * O T HA    CYS   50 - QB    CYS   50   2.23 +/- 0.12  81.509% * 50.1482% (1.00  10.0 10.00   1.83   7.92) =  89.099%  kept
        T HA    TRP   49 - QB    CYS   50   4.74 +/- 0.48  10.264% * 47.4382% (0.95   1.0 10.00   3.03   5.46) =  10.614%  kept
          HA    ALA   47 - QB    CYS   50   5.62 +/- 0.69   5.746% *  2.2839% (0.45   1.0  1.00   2.03   7.01) =   0.286%  kept
          HA1   GLY  109 - QB    CYS   50  13.85 +/- 3.45   0.724% *  0.0500% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  108 - QB    CYS   50  13.54 +/- 3.44   1.362% *  0.0171% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - QB    CYS   50  17.83 +/- 3.24   0.230% *  0.0402% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    CYS   50  23.30 +/- 3.91   0.165% *  0.0225% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 492 (2.80, 2.80, 44.93 ppm):
    1 diagonal assignment:
    *     QB    CYS   50 - QB    CYS   50  (1.00)  kept
 
    Peak 493 (4.51, 3.98, 51.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 7.05, residual support = 222.9:
    * O T HA    PRO   52 - HD2   PRO   52   3.98 +/- 0.00  80.607% * 99.8323% (1.00  10.0 10.00   7.05 222.96) =  99.989%  kept
          HA    LYS+ 111 - HD2   PRO   52  12.29 +/- 4.01   9.259% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.007%
          HA    ALA   91 - HD2   PRO   52  12.48 +/- 3.60   5.331% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL  107 - HD2   PRO   52  16.49 +/- 4.16   4.230% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - HD2   PRO   52  23.27 +/- 3.53   0.573% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.02 A, kept.
 
    Peak 494 (2.63, 3.98, 51.93 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.6, residual support = 222.9:
    * O T HB2   PRO   52 - HD2   PRO   52   3.94 +/- 0.09  95.861% * 99.5699% (1.00  10.0 10.00   6.60 222.96) =  99.993%  kept
        T HG2   MET   96 - HD2   PRO   52  19.58 +/- 3.29   1.278% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.005%
          HB2   ASP-  62 - HD2   PRO   52  14.93 +/- 2.76   2.862% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 495 (1.84, 3.98, 51.93 ppm):
    14 chemical-shift based assignments, quality = 0.996, support = 6.62, residual support = 221.5:
    * O T HB3   PRO   52 - HD2   PRO   52   3.95 +/- 0.09  64.535% * 95.7986% (1.00  10.0 10.00   6.66 222.96) =  99.361%  kept
          HG2   ARG+  54 - HD2   PRO   52   6.75 +/- 0.82  15.161% *  2.4650% (0.38   1.0  1.00   1.37   1.91) =   0.601%  kept
        T HG    LEU  123 - HD2   PRO   52  19.34 +/- 4.29   1.536% *  0.9580% (1.00   1.0 10.00   0.02   0.02) =   0.024%
          HG2   PRO   93 - HD2   PRO   52  10.10 +/- 3.36   9.113% *  0.0296% (0.31   1.0  1.00   0.02   0.02) =   0.004%
        T QB    LYS+  81 - HD2   PRO   52  15.58 +/- 3.06   1.612% *  0.1478% (0.15   1.0 10.00   0.02   0.02) =   0.004%
        T QB    LYS+  33 - HD2   PRO   52  26.09 +/- 3.74   0.482% *  0.2389% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - HD2   PRO   52  16.60 +/- 3.45   1.848% *  0.0542% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE  103 - HD2   PRO   52  22.79 +/- 3.71   0.587% *  0.0859% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HD2   PRO   52  15.81 +/- 3.60   2.289% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HD2   PRO   52  21.81 +/- 2.79   0.510% *  0.0732% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HD2   PRO   52  21.98 +/- 4.22   0.698% *  0.0429% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   PRO   52  23.92 +/- 4.30   0.652% *  0.0394% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   52  20.98 +/- 2.96   0.587% *  0.0327% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   52  25.08 +/- 3.71   0.389% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 496 (2.32, 3.98, 51.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 223.0:
    * O T HG2   PRO   52 - HD2   PRO   52   2.30 +/- 0.00  93.317% * 99.6094% (1.00  10.0 10.00   6.44 222.96) =  99.995%  kept
          HG2   MET   92 - HD2   PRO   52  10.57 +/- 4.05   3.294% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU- 114 - HD2   PRO   52  12.52 +/- 3.40   1.690% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HD2   PRO   52  17.29 +/- 4.50   0.769% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   58 - HD2   PRO   52  13.74 +/- 2.63   0.788% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   52  27.58 +/- 4.84   0.097% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD2   PRO   52  32.83 +/- 4.06   0.045% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 497 (2.08, 3.98, 51.93 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 222.9:
    * O T HG3   PRO   52 - HD2   PRO   52   2.87 +/- 0.00  89.837% * 98.5427% (1.00  10.0 10.00   6.44 222.96) =  99.980%  kept
        T HG2   PRO   58 - HD2   PRO   52  12.81 +/- 2.07   1.371% *  0.9854% (1.00   1.0 10.00   0.02   0.02) =   0.015%
          HB2   PRO   93 - HD2   PRO   52  10.05 +/- 3.19   7.261% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T QB    GLN   32 - HD2   PRO   52  26.52 +/- 4.80   0.826% *  0.1950% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HB2   PRO   68 - HD2   PRO   52  23.28 +/- 3.91   0.266% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   52  30.92 +/- 4.60   0.088% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   52  37.68 +/- 5.92   0.063% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   52  21.68 +/- 3.82   0.287% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 498 (3.98, 3.98, 51.93 ppm):
    1 diagonal assignment:
    *     HD2   PRO   52 - HD2   PRO   52  (1.00)  kept
 
    Peak 499 (4.51, 4.51, 65.44 ppm):
    1 diagonal assignment:
    *     HA    PRO   52 - HA    PRO   52  (1.00)  kept
 
    Peak 500 (2.63, 4.51, 65.44 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.24, residual support = 223.0:
    * O T HB2   PRO   52 - HA    PRO   52   2.54 +/- 0.21  99.059% * 99.5699% (1.00  10.0 10.00   5.24 222.96) =  99.999%  kept
        T HG2   MET   96 - HA    PRO   52  20.82 +/- 2.54   0.238% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  62 - HA    PRO   52  14.39 +/- 2.27   0.703% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 501 (1.84, 4.51, 65.44 ppm):
    14 chemical-shift based assignments, quality = 0.999, support = 6.17, residual support = 222.5:
    * O T HB3   PRO   52 - HA    PRO   52   2.50 +/- 0.21  71.823% * 98.6947% (1.00  10.0 10.00   6.18 222.96) =  99.792%  kept
          HG2   ARG+  54 - HA    PRO   52   4.82 +/- 1.53  23.230% *  0.6262% (0.38   1.0  1.00   0.34   1.91) =   0.205%  kept
          HG2   PRO   93 - HA    PRO   52  10.87 +/- 3.95   2.344% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HA    PRO   52  18.03 +/- 3.41   0.320% *  0.1523% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    PRO   52  18.03 +/- 3.57   0.359% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    PRO   52  16.49 +/- 3.40   0.603% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   52  24.02 +/- 2.85   0.105% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   52  18.20 +/- 3.60   0.470% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   52  22.88 +/- 2.48   0.120% *  0.0754% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    PRO   52  21.99 +/- 4.56   0.204% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   52  21.21 +/- 2.54   0.155% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    PRO   52  24.97 +/- 3.39   0.102% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   52  27.17 +/- 3.63   0.084% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   52  25.92 +/- 2.93   0.080% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 502 (2.32, 4.51, 65.44 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 222.9:
    * O T HG2   PRO   52 - HA    PRO   52   3.97 +/- 0.00  73.402% * 99.6094% (1.00  10.0 10.00   5.98 222.96) =  99.977%  kept
          HG2   MET   92 - HA    PRO   52  12.40 +/- 4.54  11.995% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.011%
          QG    GLU- 114 - HA    PRO   52  11.88 +/- 3.16   8.151% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.008%
          HB2   GLU-  79 - HA    PRO   52  19.57 +/- 4.71   3.044% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB2   PRO   58 - HA    PRO   52  12.61 +/- 1.75   2.892% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HA    PRO   52  29.30 +/- 4.97   0.361% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    PRO   52  33.78 +/- 4.13   0.155% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.27 A, kept.
 
    Peak 503 (2.08, 4.51, 65.44 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 5.95, residual support = 222.8:
    * O T HG3   PRO   52 - HA    PRO   52   3.88 +/- 0.00  84.495% * 98.7160% (1.00  10.0 10.00   5.95 222.96) =  99.946%  kept
        T HG2   PRO   58 - HA    PRO   52  11.27 +/- 1.64   4.234% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.050%
          HB2   PRO   93 - HA    PRO   52  11.03 +/- 3.34   8.815% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HB2   PRO   68 - HA    PRO   52  23.34 +/- 4.31   0.703% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   52  31.83 +/- 5.00   0.204% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   52  27.72 +/- 4.53   0.859% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   52  38.75 +/- 5.83   0.115% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   52  23.42 +/- 3.86   0.575% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.65 A, kept.
 
    Peak 504 (3.98, 4.51, 65.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.05, residual support = 222.9:
    * O T HD2   PRO   52 - HA    PRO   52   3.98 +/- 0.00  87.883% * 99.4673% (1.00  10.0 10.00   7.05 222.96) =  99.992%  kept
          HA    SER   48 - HA    PRO   52  11.81 +/- 1.68   4.811% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.004%
          HA    ALA   88 - HA    PRO   52  21.20 +/- 3.65   0.832% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - HA    PRO   52  30.57 +/- 4.78   0.603% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HA    PRO   52  18.64 +/- 2.27   0.997% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HA    PRO   52  20.58 +/- 3.13   0.837% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HA    PRO   52  24.48 +/- 3.99   0.774% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    PRO   52  18.45 +/- 3.15   1.188% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    PRO   52  29.89 +/- 5.11   0.897% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    PRO   52  23.17 +/- 4.16   0.585% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    PRO   52  28.59 +/- 4.74   0.289% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    PRO   52  31.43 +/- 4.15   0.304% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.65 A, kept.
 
    Peak 505 (4.51, 2.63, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.24, residual support = 222.9:
    * O T HA    PRO   52 - HB2   PRO   52   2.54 +/- 0.21  85.009% * 99.4915% (1.00  10.0 10.00   5.24 222.96) =  99.991%  kept
          HA    LYS+ 111 - HB2   PRO   52  10.42 +/- 5.09   8.746% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.007%
        T HA    PRO   52 - HG2   MET   96  20.82 +/- 2.54   0.202% *  0.2923% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   91 - HB2   PRO   52  13.74 +/- 4.42   1.304% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   PRO   52  15.77 +/- 4.35   0.786% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   MET   96   8.69 +/- 0.71   2.343% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   MET   96  15.20 +/- 2.57   0.542% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   MET   96  15.84 +/- 1.47   0.415% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   PRO   52  24.62 +/- 3.90   0.147% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   MET   96  14.69 +/- 1.12   0.507% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 506 (2.63, 2.63, 32.81 ppm):
    2 diagonal assignments:
    *     HB2   PRO   52 - HB2   PRO   52  (1.00)  kept
          HG2   MET   96 - HG2   MET   96  (0.11)  kept
 
    Peak 507 (1.84, 2.63, 32.81 ppm):
    28 chemical-shift based assignments, quality = 0.998, support = 6.44, residual support = 222.3:
    * O T HB3   PRO   52 - HB2   PRO   52   1.75 +/- 0.00  75.660% * 96.6834% (1.00  10.0 10.00   6.46 222.96) =  99.671%  kept
          HG12  ILE  103 - HG2   MET   96   4.33 +/- 1.76  11.064% *  2.1504% (0.26   1.0  1.00   1.69   6.68) =   0.324%  kept
          HG2   PRO   93 - HB2   PRO   52  10.00 +/- 4.66   3.007% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HB2   PRO   52   6.87 +/- 1.44   1.927% *  0.0363% (0.38   1.0  1.00   0.02   1.91) =   0.001%
        T QB    LYS+  81 - HG2   MET   96  15.32 +/- 3.24   0.737% *  0.0438% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   MET   96   5.82 +/- 1.14   2.761% *  0.0117% (0.12   1.0  1.00   0.02   6.68) =   0.000%
        T QB    LYS+  81 - HB2   PRO   52  17.62 +/- 3.69   0.198% *  0.1492% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   MET   96  10.26 +/- 4.02   1.154% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   MET   96  20.20 +/- 3.09   0.064% *  0.2840% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   MET   96   7.43 +/- 1.03   1.144% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   52  18.05 +/- 3.47   0.105% *  0.0967% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   52  16.82 +/- 3.34   0.145% *  0.0547% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PRO   52  22.16 +/- 4.58   0.124% *  0.0433% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   52  23.24 +/- 3.51   0.042% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   MET   96   8.97 +/- 1.17   0.736% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   52  22.48 +/- 2.62   0.043% *  0.0739% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   52  17.39 +/- 4.19   0.126% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   52  20.52 +/- 2.95   0.058% *  0.0330% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   MET   96  20.07 +/- 3.51   0.065% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   MET   96  16.87 +/- 2.56   0.111% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   PRO   52  24.12 +/- 3.91   0.041% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   MET   96  13.86 +/- 1.12   0.170% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   MET   96  19.38 +/- 4.46   0.100% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   MET   96  13.90 +/- 1.74   0.183% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   52  27.05 +/- 3.75   0.035% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   MET   96  21.30 +/- 3.14   0.073% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   MET   96  17.17 +/- 2.26   0.094% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   52  25.23 +/- 3.30   0.031% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 508 (2.32, 2.63, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 222.9:
    * O T HG2   PRO   52 - HB2   PRO   52   2.60 +/- 0.32  77.463% * 99.2053% (1.00  10.0 10.00   6.19 222.96) =  99.982%  kept
          HG2   MET   92 - HB2   PRO   52  11.55 +/- 5.32  12.100% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.010%
          QG    GLU- 114 - HB2   PRO   52  11.07 +/- 3.88   4.448% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.004%
          HB2   GLU-  79 - HB2   PRO   52  19.38 +/- 5.08   1.632% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   PRO   52 - HG2   MET   96  19.06 +/- 3.68   0.318% *  0.2914% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HG2   MET   96  12.12 +/- 1.76   1.092% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   MET   96  21.06 +/- 4.07   0.475% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   96  15.81 +/- 3.07   0.525% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PRO   52  13.39 +/- 2.24   0.703% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB2   PRO   52  29.34 +/- 4.94   0.082% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   96  15.70 +/- 0.70   0.400% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   MET   96  22.34 +/- 3.78   0.172% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   PRO   52  33.63 +/- 3.82   0.047% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   MET   96  18.32 +/- 3.34   0.545% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 509 (2.08, 2.63, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 222.9:
    * O T HG3   PRO   52 - HB2   PRO   52   2.58 +/- 0.25  81.773% * 98.0617% (1.00  10.0 10.00   6.16 222.96) =  99.976%  kept
        T HG2   PRO   58 - HB2   PRO   52  12.02 +/- 2.06   1.395% *  0.9806% (1.00   1.0 10.00   0.02   0.02) =   0.017%
          HB2   PRO   93 - HB2   PRO   52  10.25 +/- 4.31  10.979% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.004%
        T HG2   PRO   58 - HG2   MET   96  18.48 +/- 3.14   0.283% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   PRO   52 - HG2   MET   96  20.33 +/- 3.64   0.275% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HB2   PRO   52  23.57 +/- 4.29   0.353% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   MET   96  15.49 +/- 4.40   2.449% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   MET   96  12.76 +/- 1.20   0.928% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   52  27.50 +/- 4.74   0.394% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   52  31.90 +/- 4.95   0.060% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   MET   96  24.14 +/- 3.53   0.161% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   52  38.85 +/- 5.64   0.039% *  0.0961% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   52  23.38 +/- 4.08   0.171% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   MET   96  16.66 +/- 2.93   0.440% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   MET   96  20.58 +/- 4.00   0.227% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   MET   96  30.40 +/- 4.92   0.074% *  0.0282% (0.29   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 510 (3.98, 2.63, 32.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.6, residual support = 222.9:
    * O T HD2   PRO   52 - HB2   PRO   52   3.94 +/- 0.09  69.940% * 99.0230% (1.00  10.0 10.00   6.60 222.96) =  99.983%  kept
          HA    SER   48 - HB2   PRO   52  11.94 +/- 1.90   3.858% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.004%
        T HD2   PRO   52 - HG2   MET   96  19.58 +/- 3.29   0.927% *  0.2909% (0.29   1.0 10.00   0.02   0.02) =   0.004%
          HA    ALA   88 - HG2   MET   96  12.25 +/- 2.46   3.132% *  0.0269% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HG2   MET   96  18.14 +/- 3.49   3.127% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HB2   PRO   52  20.25 +/- 4.09   0.716% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - HB2   PRO   52  30.27 +/- 5.02   0.599% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HB2   PRO   52  19.06 +/- 2.45   0.708% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB2   PRO   52  19.84 +/- 3.53   0.814% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - HG2   MET   96  17.70 +/- 4.00   1.196% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PRO   52  23.86 +/- 4.43   0.961% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   MET   96  13.67 +/- 2.70   2.200% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   MET   96  20.81 +/- 4.65   2.067% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   MET   96  16.32 +/- 3.32   2.544% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PRO   52  18.30 +/- 3.16   0.948% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   MET   96  18.29 +/- 2.60   1.066% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PRO   52  29.74 +/- 5.21   0.636% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   PRO   52  23.19 +/- 4.13   0.444% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   MET   96  17.37 +/- 3.52   1.224% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PRO   52  28.53 +/- 4.70   0.224% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   MET   96  18.51 +/- 3.15   0.883% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   MET   96  18.97 +/- 3.51   0.816% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PRO   52  31.23 +/- 4.25   0.257% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   MET   96  19.56 +/- 3.04   0.713% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 511 (4.51, 1.84, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 222.9:
    * O T HA    PRO   52 - HB3   PRO   52   2.50 +/- 0.21  76.672% * 99.6990% (1.00  10.0 10.00   6.18 222.96) =  99.986%  kept
          HA    LYS+ 111 - HB3   PRO   52  10.27 +/- 4.91  14.835% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.013%
        T HA    PRO   52 - QB    LYS+  81  18.03 +/- 3.41   0.349% *  0.1144% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   91 - HB3   PRO   52  13.59 +/- 4.18   1.076% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   PRO   52  15.80 +/- 4.29   1.274% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    LYS+  81  10.06 +/- 2.82   4.742% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   PRO   52  24.99 +/- 3.15   0.096% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    LYS+  81  15.92 +/- 4.11   0.463% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QB    LYS+  81  19.22 +/- 3.37   0.260% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    LYS+  81  18.26 +/- 2.35   0.233% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 512 (2.63, 1.84, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.46, residual support = 223.0:
    * O T HB2   PRO   52 - HB3   PRO   52   1.75 +/- 0.00  98.416% * 99.4073% (1.00  10.0 10.00   6.46 222.96) =  99.999%  kept
        T HG2   MET   96 - QB    LYS+  81  15.32 +/- 3.24   0.949% *  0.0428% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - HB3   PRO   52  20.20 +/- 3.09   0.084% *  0.3731% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   PRO   52 - QB    LYS+  81  17.62 +/- 3.69   0.257% *  0.1140% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HB3   PRO   52  15.22 +/- 2.28   0.195% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - QB    LYS+  81  19.26 +/- 2.84   0.099% *  0.0065% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 513 (1.84, 1.84, 32.81 ppm):
    2 diagonal assignments:
    *     HB3   PRO   52 - HB3   PRO   52  (1.00)  kept
          QB    LYS+  81 - QB    LYS+  81  (0.02)  kept
 
    Peak 514 (2.32, 1.84, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 222.9:
    * O T HG2   PRO   52 - HB3   PRO   52   2.66 +/- 0.32  56.723% * 99.4355% (1.00  10.0 10.00   6.21 222.96) =  99.975%  kept
          HG2   MET   92 - HB3   PRO   52  11.46 +/- 5.10  13.560% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.015%
          QG    GLU- 114 - HB3   PRO   52  11.04 +/- 3.72   3.523% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.005%
          HG2   MET   92 - QB    LYS+  81  11.31 +/- 4.03  13.116% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  79 - QB    LYS+  81   6.45 +/- 0.89   5.925% *  0.0091% (0.09   1.0  1.00   0.02   1.23) =   0.001%
        T HG2   PRO   52 - QB    LYS+  81  16.08 +/- 3.43   0.363% *  0.1141% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HG3   GLU-  36 - QB    LYS+  81  25.23 +/- 6.96   4.766% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HB3   PRO   52  19.73 +/- 4.75   0.343% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   PRO   52  13.60 +/- 1.65   0.534% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   52  29.54 +/- 4.52   0.078% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QB    LYS+  81  17.49 +/- 5.45   0.598% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - QB    LYS+  81  19.82 +/- 3.91   0.187% *  0.0176% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   PRO   52  34.14 +/- 3.86   0.037% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QB    LYS+  81  17.62 +/- 2.96   0.247% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 515 (2.08, 1.84, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 222.9:
    * O T HG3   PRO   52 - HB3   PRO   52   2.53 +/- 0.25  88.303% * 98.1909% (1.00  10.0 10.00   6.18 222.96) =  99.976%  kept
        T HB2   PRO   93 - HB3   PRO   52  10.38 +/- 3.64   3.247% *  0.3031% (0.31   1.0 10.00   0.02   0.02) =   0.011%
        T HG2   PRO   58 - HB3   PRO   52  12.19 +/- 1.45   0.939% *  0.9819% (1.00   1.0 10.00   0.02   0.02) =   0.011%
        T HG3   PRO   52 - QB    LYS+  81  16.78 +/- 3.63   0.526% *  0.1126% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   PRO   58 - QB    LYS+  81  20.07 +/- 3.57   0.383% *  0.1126% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QB    LYS+  81  24.00 +/- 5.15   0.740% *  0.0112% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   52  24.14 +/- 4.33   0.215% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QB    LYS+  81  28.80 +/- 7.10   0.662% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QB    LYS+  81  12.70 +/- 5.99   3.260% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   52  32.41 +/- 4.52   0.057% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   52  27.85 +/- 4.36   0.186% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    LYS+  81  13.51 +/- 2.45   0.876% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   52  39.38 +/- 5.74   0.032% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   52  23.58 +/- 3.45   0.139% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - QB    LYS+  81  19.13 +/- 4.53   0.296% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    LYS+  81  23.75 +/- 3.24   0.142% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 516 (3.98, 1.84, 32.81 ppm):
    24 chemical-shift based assignments, quality = 0.997, support = 6.65, residual support = 222.2:
    * O T HD2   PRO   52 - HB3   PRO   52   3.95 +/- 0.09  40.776% * 97.2473% (1.00  10.0 10.00   6.66 222.96) =  99.650%  kept
          HB2   SER   82 - QB    LYS+  81   5.49 +/- 0.63  17.235% *  0.7476% (0.04   1.0  1.00   3.93  13.21) =   0.324%  kept
        T HA    GLN   32 - HB3   PRO   52  30.69 +/- 4.64   0.283% *  0.9199% (0.95   1.0 10.00   0.02   0.02) =   0.007%
          HA    SER   48 - HB3   PRO   52  12.07 +/- 1.72   2.215% *  0.0706% (0.73   1.0  1.00   0.02   0.02) =   0.004%
        T HD2   PRO   52 - QB    LYS+  81  15.58 +/- 3.06   1.001% *  0.1116% (0.11   1.0 10.00   0.02   0.02) =   0.003%
          QB    SER   85 - QB    LYS+  81   5.62 +/- 0.53  15.649% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLU-  29 - HB3   PRO   52  30.09 +/- 4.77   0.332% *  0.2425% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          HA    SER   48 - QB    LYS+  81  11.05 +/- 3.04   7.388% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - QB    LYS+  81  21.68 +/- 4.98   0.431% *  0.1055% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   88 - QB    LYS+  81   9.14 +/- 0.90   3.898% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HB3   PRO   52  20.26 +/- 4.02   0.430% *  0.0898% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QB    LYS+  81  23.28 +/- 5.92   4.612% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB3   PRO   52  19.89 +/- 3.47   0.481% *  0.0473% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB3   PRO   52  24.05 +/- 4.33   0.645% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HB3   PRO   52  19.54 +/- 2.10   0.380% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  33 - HB3   PRO   52  31.70 +/- 3.91   0.137% *  0.1500% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  33 - QB    LYS+  81  22.61 +/- 5.44   0.877% *  0.0172% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QB    LYS+  81  19.91 +/- 4.58   0.496% *  0.0278% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB3   PRO   52  18.48 +/- 3.61   0.603% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   PRO   52  23.68 +/- 3.93   0.242% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   PRO   52  29.08 +/- 4.59   0.126% *  0.0473% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  81  18.26 +/- 3.67   1.025% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    LYS+  81  18.86 +/- 2.82   0.496% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  81  24.88 +/- 3.42   0.240% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.52 A, kept.
 
    Peak 517 (4.51, 2.32, 28.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 222.9:
    * O T HA    PRO   52 - HG2   PRO   52   3.97 +/- 0.00  69.645% * 99.8323% (1.00  10.0 10.00   5.98 222.96) =  99.979%  kept
          HA    LYS+ 111 - HG2   PRO   52  10.91 +/- 4.58  17.787% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.017%
          HA    ALA   91 - HG2   PRO   52  12.17 +/- 4.22   6.128% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL  107 - HG2   PRO   52  15.40 +/- 4.57   5.987% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   27 - HG2   PRO   52  23.67 +/- 3.67   0.453% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 518 (2.63, 2.32, 28.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 223.0:
    * O T HB2   PRO   52 - HG2   PRO   52   2.60 +/- 0.32  98.793% * 99.5699% (1.00  10.0 10.00   6.19 222.96) =  99.998%  kept
        T HG2   MET   96 - HG2   PRO   52  19.06 +/- 3.68   0.406% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASP-  62 - HG2   PRO   52  15.06 +/- 2.46   0.800% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 519 (1.84, 2.32, 28.73 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 222.9:
    * O T HB3   PRO   52 - HG2   PRO   52   2.66 +/- 0.32  80.135% * 99.2796% (1.00  10.0 10.00   6.21 222.96) =  99.990%  kept
          HG2   PRO   93 - HG2   PRO   52   9.28 +/- 4.09  11.543% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.004%
          HG2   ARG+  54 - HG2   PRO   52   7.69 +/- 1.03   4.093% *  0.0373% (0.38   1.0  1.00   0.02   1.91) =   0.002%
        T QB    LYS+  81 - HG2   PRO   52  16.08 +/- 3.43   0.854% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU  123 - HG2   PRO   52  18.72 +/- 4.06   0.409% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG2   PRO   52  16.89 +/- 3.19   0.467% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   52  22.20 +/- 4.37   0.515% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   52  22.32 +/- 3.91   0.233% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   52  21.75 +/- 2.85   0.199% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   52  15.73 +/- 4.04   0.706% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   52  23.31 +/- 4.36   0.240% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   52  20.20 +/- 3.27   0.259% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   52  26.34 +/- 3.72   0.191% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   52  24.59 +/- 3.73   0.159% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 520 (2.32, 2.32, 28.73 ppm):
    1 diagonal assignment:
    *     HG2   PRO   52 - HG2   PRO   52  (1.00)  kept
 
    Peak 521 (2.08, 2.32, 28.73 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 223.0:
    * O T HG3   PRO   52 - HG2   PRO   52   1.75 +/- 0.00  94.754% * 98.7160% (1.00  10.0 10.00   5.97 222.96) =  99.995%  kept
        T HG2   PRO   58 - HG2   PRO   52  12.73 +/- 1.93   0.333% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.004%
          HB2   PRO   93 - HG2   PRO   52   9.40 +/- 3.95   4.561% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLN   32 - HG2   PRO   52  26.70 +/- 4.81   0.170% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   PRO   52  23.57 +/- 3.99   0.085% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   52  31.33 +/- 4.46   0.020% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   52  38.21 +/- 5.74   0.014% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   PRO   52  22.18 +/- 3.92   0.063% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 522 (3.98, 2.32, 28.73 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 223.0:
    * O T HD2   PRO   52 - HG2   PRO   52   2.30 +/- 0.00  94.888% * 99.4673% (1.00  10.0 10.00   6.44 222.96) =  99.997%  kept
          HA    SER   48 - HG2   PRO   52   9.97 +/- 1.94   2.944% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   88 - HG2   PRO   52  18.59 +/- 4.14   0.270% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   PRO   52  29.46 +/- 5.11   0.234% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   52  18.26 +/- 3.48   0.286% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   52  18.82 +/- 2.63   0.210% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   52  22.13 +/- 4.19   0.314% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   52  18.86 +/- 3.83   0.331% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   PRO   52  28.77 +/- 5.18   0.244% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   52  22.59 +/- 3.91   0.127% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   52  28.16 +/- 4.49   0.063% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   PRO   52  30.47 +/- 4.30   0.091% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 523 (4.51, 2.08, 28.73 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 5.95, residual support = 222.8:
    * O T HA    PRO   52 - HG3   PRO   52   3.88 +/- 0.00  65.368% * 98.8988% (1.00  10.0 10.00   5.95 222.96) =  99.936%  kept
        T HA    PRO   52 - HG2   PRO   58  11.27 +/- 1.64   3.313% *  0.8007% (0.81   1.0 10.00   0.02   0.02) =   0.041%
          HA    LYS+ 111 - HG3   PRO   52  11.49 +/- 5.01  15.925% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.016%
          HA    ALA   91 - HG3   PRO   52  12.81 +/- 4.54   5.126% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+ 111 - HG2   PRO   58  13.10 +/- 2.54   2.514% *  0.0518% (0.52   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL  107 - HG3   PRO   52  16.50 +/- 4.62   3.052% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HG2   PRO   58  14.86 +/- 4.36   2.862% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - HG2   PRO   58  21.17 +/- 3.08   0.565% *  0.0421% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   PRO   58  18.43 +/- 3.54   0.947% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG3   PRO   52  24.92 +/- 3.71   0.328% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.16 A, kept.
 
    Peak 524 (2.63, 2.08, 28.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 222.9:
    * O T HB2   PRO   52 - HG3   PRO   52   2.58 +/- 0.25  89.491% * 98.4337% (1.00  10.0 10.00   6.16 222.96) =  99.980%  kept
        T HB2   PRO   52 - HG2   PRO   58  12.02 +/- 2.06   1.520% *  0.7969% (0.81   1.0 10.00   0.02   0.02) =   0.014%
          HB2   ASP-  62 - HG2   PRO   58   6.70 +/- 1.45   7.922% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.004%
        T HG2   MET   96 - HG3   PRO   52  20.33 +/- 3.64   0.301% *  0.3694% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   96 - HG2   PRO   58  18.48 +/- 3.14   0.316% *  0.2991% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  62 - HG3   PRO   52  16.38 +/- 2.52   0.451% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 525 (1.84, 2.08, 28.73 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 222.9:
    * O T HB3   PRO   52 - HG3   PRO   52   2.53 +/- 0.25  76.036% * 97.4419% (1.00  10.0 10.00   6.18 222.96) =  99.960%  kept
        T HG2   PRO   93 - HG3   PRO   52  10.22 +/- 4.29   3.683% *  0.3008% (0.31   1.0 10.00   0.02   0.02) =   0.015%
        T HB3   PRO   52 - HG2   PRO   58  12.19 +/- 1.45   0.805% *  0.7889% (0.81   1.0 10.00   0.02   0.02) =   0.009%
        T HG2   PRO   93 - HG2   PRO   58  13.38 +/- 4.14   1.391% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.005%
          HG    LEU  123 - HG2   PRO   58  11.50 +/- 2.79   3.023% *  0.0789% (0.81   1.0  1.00   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HG2   PRO   58   9.66 +/- 2.04   4.869% *  0.0296% (0.30   1.0  1.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HG3   PRO   52   8.11 +/- 1.16   3.216% *  0.0366% (0.38   1.0  1.00   0.02   1.91) =   0.002%
        T QB    LYS+  81 - HG3   PRO   52  16.78 +/- 3.63   0.450% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG2   PRO   58  11.54 +/- 2.16   1.152% *  0.0447% (0.46   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HG2   PRO   58  20.07 +/- 3.57   0.328% *  0.1217% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HG3   PRO   52  19.81 +/- 4.09   0.409% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HG2   PRO   58  16.84 +/- 4.81   1.006% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   52  17.93 +/- 3.56   0.487% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   58  19.30 +/- 2.21   0.239% *  0.0603% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   58  21.12 +/- 3.14   0.200% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   52  23.61 +/- 3.84   0.141% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   58  17.58 +/- 2.63   0.306% *  0.0354% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   PRO   52  23.30 +/- 4.71   0.240% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  16.42 +/- 4.30   0.526% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   PRO   52  23.10 +/- 2.71   0.128% *  0.0745% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  21.45 +/- 3.24   0.193% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   58  22.13 +/- 3.88   0.196% *  0.0324% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   PRO   52  24.53 +/- 4.36   0.145% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  21.02 +/- 4.10   0.344% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  23.26 +/- 2.53   0.123% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  27.50 +/- 3.69   0.087% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   58  22.62 +/- 3.47   0.173% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   PRO   52  25.69 +/- 3.74   0.102% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 526 (2.32, 2.08, 28.73 ppm):
    14 chemical-shift based assignments, quality = 0.96, support = 5.89, residual support = 219.5:
    * O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  64.249% * 86.8129% (1.00  10.0 10.00   5.97 222.96) =  95.423%  kept
      O T HB2   PRO   58 - HG2   PRO   58   2.49 +/- 0.29  24.599% * 10.8440% (0.12  10.0 10.00   4.28 147.90) =   4.564%  kept
          HG2   MET   92 - HG3   PRO   52  10.98 +/- 5.10   8.896% *  0.0562% (0.65   1.0  1.00   0.02   0.02) =   0.009%
        T HG2   PRO   52 - HG2   PRO   58  12.73 +/- 1.93   0.223% *  0.7028% (0.81   1.0 10.00   0.02   0.02) =   0.003%
          QG    GLU- 114 - HG3   PRO   52  12.14 +/- 4.04   0.911% *  0.0630% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HG2   PRO   58  11.14 +/- 1.99   0.419% *  0.0510% (0.59   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  15.10 +/- 2.24   0.143% *  0.1339% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   PRO   52  19.07 +/- 5.01   0.233% *  0.0695% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   PRO   58  29.15 +/- 3.39   0.017% *  0.4547% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   PRO   58  19.34 +/- 3.74   0.119% *  0.0563% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   PRO   52  34.29 +/- 3.88   0.011% *  0.5616% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   PRO   58  16.47 +/- 3.97   0.126% *  0.0455% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  26.81 +/- 5.15   0.034% *  0.0665% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  29.18 +/- 4.96   0.021% *  0.0821% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 527 (2.08, 2.08, 28.73 ppm):
    2 diagonal assignments:
    *     HG3   PRO   52 - HG3   PRO   52  (1.00)  kept
          HG2   PRO   58 - HG2   PRO   58  (0.81)  kept
 
    Peak 528 (3.98, 2.08, 28.73 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 222.9:
    * O T HD2   PRO   52 - HG3   PRO   52   2.87 +/- 0.00  84.896% * 96.1754% (1.00  10.0 10.00   6.44 222.96) =  99.973%  kept
        T HD2   PRO   52 - HG2   PRO   58  12.81 +/- 2.07   1.295% *  0.7786% (0.81   1.0 10.00   0.02   0.02) =   0.012%
          HA    SER   48 - HG3   PRO   52  10.64 +/- 1.94   3.689% *  0.0698% (0.73   1.0  1.00   0.02   0.02) =   0.003%
        T HA    GLN   32 - HG3   PRO   52  30.70 +/- 5.03   0.265% *  0.9098% (0.95   1.0 10.00   0.02   0.02) =   0.003%
        T HA    GLN   32 - HG2   PRO   58  26.69 +/- 4.25   0.196% *  0.7365% (0.77   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   88 - HG2   PRO   58  23.24 +/- 4.82   1.543% *  0.0719% (0.75   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HG3   PRO   52  29.98 +/- 5.21   0.297% *  0.2398% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HG2   PRO   58  13.08 +/- 1.67   1.014% *  0.0441% (0.46   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HG2   PRO   58  26.31 +/- 4.16   0.223% *  0.1941% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   48 - HG2   PRO   58  16.72 +/- 3.12   0.720% *  0.0565% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   PRO   52  19.40 +/- 4.22   0.404% *  0.0888% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   58  12.07 +/- 2.39   2.024% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   PRO   52  18.94 +/- 3.59   0.442% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   PRO   52  22.97 +/- 4.52   0.601% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   PRO   52  31.75 +/- 4.25   0.121% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG3   PRO   52  20.06 +/- 2.67   0.296% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG2   PRO   58  27.12 +/- 3.07   0.127% *  0.1201% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   58  22.63 +/- 3.57   0.368% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   58  18.57 +/- 3.48   0.404% *  0.0216% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   58  23.37 +/- 4.59   0.215% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   PRO   52  20.00 +/- 3.78   0.415% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   PRO   52  23.93 +/- 4.06   0.182% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   58  25.94 +/- 3.56   0.168% *  0.0266% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   PRO   52  29.44 +/- 4.67   0.095% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 529 (4.17, 4.17, 63.73 ppm):
    1 diagonal assignment:
    *     HA    CYS   53 - HA    CYS   53  (1.00)  kept
 
    Peak 530 (3.83, 4.17, 63.73 ppm):
    7 chemical-shift based assignments, quality = 0.996, support = 2.96, residual support = 44.9:
    * O T HB2   CYS   53 - HA    CYS   53   2.87 +/- 0.17  68.437% * 89.5561% (1.00  10.0 10.00   2.96  44.75) =  98.854%  kept
          HD3   PRO   52 - HA    CYS   53   6.20 +/- 0.06   6.936% * 10.0742% (0.69   1.0  1.00   3.28  55.28) =   1.127%  kept
          HD2   PRO   58 - HA    CYS   53   6.73 +/- 2.24  23.716% *  0.0471% (0.53   1.0  1.00   0.02   0.02) =   0.018%
        T HB3   SER   82 - HA    CYS   53  21.99 +/- 3.46   0.268% *  0.1772% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HA    CYS   53  24.61 +/- 3.84   0.246% *  0.0684% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HA    CYS   53  20.65 +/- 3.12   0.302% *  0.0402% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HA    CYS   53  26.94 +/- 2.45   0.096% *  0.0368% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 531 (3.34, 4.17, 63.73 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.36, residual support = 44.1:
    * O T HB3   CYS   53 - HA    CYS   53   2.53 +/- 0.23  68.391% * 79.4443% (1.00  10.0 10.00   3.38  44.75) =  97.864%  kept
          QB    PHE   55 - HA    CYS   53   4.26 +/- 0.40  16.049% *  4.1270% (0.87   1.0  1.00   1.20   0.02) =   1.193%  kept
          HD2   ARG+  54 - HA    CYS   53   7.40 +/- 0.64   3.175% * 16.2320% (0.99   1.0  1.00   4.12  32.13) =   0.928%  kept
          HD3   PRO   93 - HA    CYS   53   9.42 +/- 3.63   8.789% *  0.0752% (0.95   1.0  1.00   0.02   0.02) =   0.012%
          HB2   PHE   59 - HA    CYS   53   7.96 +/- 1.51   3.290% *  0.0482% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          HD3   PRO   68 - HA    CYS   53  17.73 +/- 2.99   0.306% *  0.0733% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 532 (4.17, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 44.7:
    * O T HA    CYS   53 - HB2   CYS   53   2.87 +/- 0.17  97.295% * 98.9901% (1.00  10.0 10.00   2.96  44.75) =  99.995%  kept
        T HA    GLU-  25 - HB2   CYS   53  24.04 +/- 4.44   0.514% *  0.6800% (0.69   1.0 10.00   0.02   0.02) =   0.004%
        T HA    SER   82 - HB2   CYS   53  19.99 +/- 2.92   0.394% *  0.1734% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   19 - HB2   CYS   53  20.49 +/- 3.18   0.332% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   CYS   53  14.80 +/- 2.90   1.052% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   CYS   53  24.34 +/- 4.22   0.413% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 533 (3.83, 3.83, 34.62 ppm):
    1 diagonal assignment:
    *     HB2   CYS   53 - HB2   CYS   53  (1.00)  kept
 
    Peak 534 (3.34, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 3.46, residual support = 44.7:
    * O T HB3   CYS   53 - HB2   CYS   53   1.75 +/- 0.00  92.588% * 79.2505% (1.00  10.0 10.00   3.46  44.75) =  99.563%  kept
          HD2   ARG+  54 - HB2   CYS   53   7.26 +/- 0.74   1.446% * 17.3489% (0.99   1.0  1.00   4.42  32.13) =   0.340%  kept
          QB    PHE   55 - HB2   CYS   53   6.18 +/- 0.26   2.156% *  3.2044% (0.87   1.0  1.00   0.93   0.02) =   0.094%
          HD3   PRO   93 - HB2   CYS   53   9.54 +/- 3.08   1.823% *  0.0750% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HB2   CYS   53   9.26 +/- 1.85   1.856% *  0.0481% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HB2   CYS   53  17.74 +/- 3.05   0.131% *  0.0732% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 535 (4.17, 3.34, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.38, residual support = 44.7:
    * O T HA    CYS   53 - HB3   CYS   53   2.53 +/- 0.23  98.128% * 99.7562% (1.00  10.0 10.00   3.38  44.75) =  99.999%  kept
          HA    ILE   19 - HB3   CYS   53  20.20 +/- 3.34   0.244% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HB3   CYS   53  24.01 +/- 4.36   0.292% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   CYS   53  14.34 +/- 2.77   0.801% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   CYS   53  24.24 +/- 4.19   0.245% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   CYS   53  19.88 +/- 3.18   0.290% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 536 (3.83, 3.34, 34.62 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.46, residual support = 44.8:
    * O T HB2   CYS   53 - HB3   CYS   53   1.75 +/- 0.00  93.832% * 85.4171% (1.00  10.0 10.00   3.46  44.75) =  99.556%  kept
          HD3   PRO   52 - HB3   CYS   53   6.26 +/- 0.71   2.373% * 12.9960% (0.69   1.0  1.00   4.43  55.28) =   0.383%  kept
          HD2   PRO   58 - HB3   CYS   53   7.84 +/- 2.23   3.440% *  1.4314% (0.53   1.0  1.00   0.64   0.02) =   0.061%
          HA    GLN   30 - HB3   CYS   53  23.86 +/- 4.20   0.145% *  0.0653% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   CYS   53  19.55 +/- 3.21   0.099% *  0.0383% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   CYS   53  20.69 +/- 3.30   0.080% *  0.0169% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB3   CYS   53  26.71 +/- 2.94   0.031% *  0.0351% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 537 (3.34, 3.34, 34.62 ppm):
    1 diagonal assignment:
    *     HB3   CYS   53 - HB3   CYS   53  (1.00)  kept
 
    Peak 538 (4.11, 4.11, 59.18 ppm):
    2 diagonal assignments:
    *     HA    ARG+  54 - HA    ARG+  54  (1.00)  kept
          HA    LEU  115 - HA    LEU  115  (0.19)  kept
 
    Peak 539 (2.05, 4.11, 59.18 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 170.5:
    * O T HB2   ARG+  54 - HA    ARG+  54   2.73 +/- 0.20  73.614% * 98.6035% (1.00  10.0 10.00   5.69 170.49) =  99.980%  kept
          HB2   PRO   93 - HA    ARG+  54  10.61 +/- 3.57   5.938% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.007%
        T HB2   ARG+  54 - HA    LEU  115  13.58 +/- 2.58   0.833% *  0.3034% (0.31   1.0 10.00   0.02   0.02) =   0.003%
          HB    ILE  119 - HA    LEU  115   6.44 +/- 0.99   7.458% *  0.0263% (0.27   1.0  1.00   0.02   7.75) =   0.003%
          HB2   PRO   93 - HA    LEU  115   9.34 +/- 3.28   6.455% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE  119 - HA    ARG+  54  12.86 +/- 2.41   1.047% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    LEU  115  10.21 +/- 2.80   2.252% *  0.0301% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    ARG+  54  17.87 +/- 3.92   0.550% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    ARG+  54  23.05 +/- 4.01   0.222% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    ARG+  54  28.62 +/- 4.56   0.079% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ARG+  54  23.17 +/- 3.93   0.199% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    ARG+  54  35.52 +/- 5.63   0.048% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ARG+  54  19.50 +/- 3.73   0.314% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ARG+  54  29.28 +/- 3.80   0.077% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU  115  21.75 +/- 2.34   0.174% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    LEU  115  27.83 +/- 3.46   0.088% *  0.0468% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU  115  23.22 +/- 2.67   0.145% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  22.45 +/- 2.59   0.163% *  0.0172% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    LEU  115  34.72 +/- 4.60   0.045% *  0.0531% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  19.50 +/- 3.06   0.300% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.09 A, kept.
 
    Peak 540 (1.86, 4.11, 59.18 ppm):
    28 chemical-shift based assignments, quality = 0.993, support = 5.75, residual support = 168.7:
    * O T HG2   ARG+  54 - HA    ARG+  54   3.04 +/- 0.67  58.518% * 86.8426% (1.00  10.0 10.00   5.80 170.49) =  98.923%  kept
        T HB3   PRO   52 - HA    ARG+  54   7.71 +/- 0.31   4.756% *  8.9609% (0.38   1.0 10.00   0.55   1.91) =   0.830%  kept
          HB    ILE   56 - HA    ARG+  54   6.49 +/- 0.94   9.817% *  1.0598% (0.41   1.0  1.00   0.59   0.02) =   0.203%  kept
        T QB    LYS+  81 - HA    ARG+  54  17.52 +/- 3.54   0.617% *  0.7533% (0.87   1.0 10.00   0.02   0.02) =   0.009%
        T HG3   PRO   68 - HA    ARG+  54  18.93 +/- 3.91   0.500% *  0.8607% (0.99   1.0 10.00   0.02   0.02) =   0.008%
        T HG2   ARG+  54 - HA    LEU  115  13.82 +/- 2.63   1.480% *  0.2672% (0.31   1.0 10.00   0.02   0.02) =   0.008%
        T HB3   PRO   52 - HA    LEU  115  12.56 +/- 3.24   2.961% *  0.1003% (0.12   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   PRO   68 - HA    LEU  115  18.18 +/- 3.84   0.466% *  0.2649% (0.30   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+  81 - HA    LEU  115  19.36 +/- 2.56   0.418% *  0.2318% (0.27   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLN   90 - HA    ARG+  54  18.61 +/- 3.72   1.009% *  0.0802% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HA    LEU  115   9.87 +/- 2.90   3.600% *  0.0223% (0.26   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HA    LEU  115  10.90 +/- 4.37   2.922% *  0.0267% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE   56 - HA    LEU  115   7.98 +/- 1.57   5.542% *  0.0110% (0.13   1.0  1.00   0.02   0.31) =   0.001%
          QB    LYS+ 106 - HA    ARG+  54  17.21 +/- 3.40   0.567% *  0.0725% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    ARG+  54  16.11 +/- 3.18   1.253% *  0.0326% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    ARG+  54  19.73 +/- 3.34   0.383% *  0.0866% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    LEU  115  10.94 +/- 1.29   1.770% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ARG+  54  24.65 +/- 3.92   0.197% *  0.0838% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ARG+  54  23.82 +/- 3.94   0.190% *  0.0866% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  115  16.28 +/- 2.75   0.578% *  0.0267% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  115  17.79 +/- 3.17   0.599% *  0.0247% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ARG+  54  27.66 +/- 5.19   0.200% *  0.0241% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  115  23.06 +/- 2.31   0.170% *  0.0258% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ARG+  54  22.85 +/- 4.10   0.272% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    ARG+  54  22.59 +/- 3.46   0.219% *  0.0152% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  115  15.96 +/- 2.63   0.631% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LEU  115  24.02 +/- 3.58   0.146% *  0.0074% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LEU  115  21.75 +/- 2.46   0.218% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.26 A, kept.
 
    Peak 541 (3.34, 4.11, 59.18 ppm):
    12 chemical-shift based assignments, quality = 0.983, support = 5.38, residual support = 143.9:
    *   T HD2   ARG+  54 - HA    ARG+  54   4.22 +/- 0.62  26.763% * 72.3630% (1.00 10.00   5.64 170.49) =  82.349%  kept
          HB3   CYS   53 - HA    ARG+  54   5.08 +/- 0.53  15.378% * 14.8599% (0.99  1.00   4.14  32.13) =   9.717%  kept
          QB    PHE   55 - HA    ARG+  54   5.08 +/- 0.08  15.043% * 12.2979% (0.80  1.00   4.24   4.31) =   7.867%  kept
          HD3   PRO   93 - HA    ARG+  54  11.73 +/- 4.07   9.922% *  0.0649% (0.90  1.00   0.02   0.02) =   0.027%
          HB2   PHE   59 - HA    ARG+  54   8.22 +/- 2.09  11.143% *  0.0381% (0.53  1.00   0.02   0.02) =   0.018%
        T HD2   ARG+  54 - HA    LEU  115  14.84 +/- 2.42   0.754% *  0.2227% (0.31 10.00   0.02   0.02) =   0.007%
          HB2   PHE   59 - HA    LEU  115   7.04 +/- 1.35  10.311% *  0.0117% (0.16  1.00   0.02  29.56) =   0.005%
          QB    PHE   55 - HA    LEU  115   9.38 +/- 2.50   4.327% *  0.0178% (0.25  1.00   0.02   7.88) =   0.003%
          HB3   CYS   53 - HA    LEU  115  11.40 +/- 2.77   3.077% *  0.0221% (0.30  1.00   0.02   0.02) =   0.003%
          HD3   PRO   93 - HA    LEU  115  12.01 +/- 2.91   2.123% *  0.0200% (0.28  1.00   0.02   0.02) =   0.002%
          HD3   PRO   68 - HA    ARG+  54  17.23 +/- 3.54   0.630% *  0.0628% (0.87  1.00   0.02   0.02) =   0.002%
          HD3   PRO   68 - HA    LEU  115  16.78 +/- 3.31   0.529% *  0.0193% (0.27  1.00   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 542 (4.11, 2.05, 30.44 ppm):
    27 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 170.5:
    * O T HA    ARG+  54 - HB2   ARG+  54   2.73 +/- 0.20  90.154% * 98.5625% (1.00  10.0 10.00   5.69 170.49) =  99.991%  kept
        T HA    LEU  115 - HB2   ARG+  54  13.58 +/- 2.58   1.022% *  0.5978% (0.61   1.0 10.00   0.02   0.02) =   0.007%
          HA    ASN   28 - HB2   ARG+  54  25.58 +/- 5.26   0.593% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ARG+  54  19.40 +/- 3.71   0.372% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ARG+  54  23.55 +/- 3.94   0.182% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB2   GLU-  14  28.62 +/- 4.56   0.097% *  0.1449% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB2   GLU-  14  27.83 +/- 3.46   0.107% *  0.0879% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   GLU-  14  16.13 +/- 5.20   1.215% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ARG+  54  16.07 +/- 2.22   0.534% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   GLU-  14  14.30 +/- 3.92   0.955% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ARG+  54  27.07 +/- 4.47   0.139% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG2   MET   11  35.52 +/- 5.63   0.058% *  0.0953% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   GLU-  14  25.77 +/- 5.17   0.541% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ARG+  54  32.37 +/- 5.01   0.076% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   MET   11  19.35 +/- 6.18   0.762% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   GLU-  14  28.24 +/- 7.16   0.263% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ARG+  54  30.04 +/- 4.29   0.132% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   MET   11  31.46 +/- 7.48   0.567% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   GLU-  14  18.60 +/- 3.30   0.363% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   MET   11  34.72 +/- 4.60   0.055% *  0.0578% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   GLU-  14  22.68 +/- 6.05   0.631% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   MET   11  19.66 +/- 4.22   0.388% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   MET   11  33.88 +/- 9.03   0.157% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   MET   11  24.03 +/- 4.51   0.227% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   MET   11  27.89 +/- 7.12   0.261% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   GLU-  14  31.20 +/- 4.72   0.101% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   MET   11  37.75 +/- 5.62   0.047% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 543 (2.05, 2.05, 30.44 ppm):
    3 diagonal assignments:
    *     HB2   ARG+  54 - HB2   ARG+  54  (1.00)  kept
          HB2   GLU-  14 - HB2   GLU-  14  (0.02)  kept
          HG2   MET   11 - HG2   MET   11  (0.02)  kept
 
    Peak 545 (3.34, 2.05, 30.44 ppm):
    18 chemical-shift based assignments, quality = 0.994, support = 4.96, residual support = 161.8:
    * O T HD2   ARG+  54 - HB2   ARG+  54   2.76 +/- 0.64  62.115% * 74.1303% (1.00  10.0 10.00   5.05 170.49) =  94.342%  kept
          HB3   CYS   53 - HB2   ARG+  54   6.10 +/- 0.63   9.870% * 13.6807% (0.99   1.0  1.00   3.72  32.13) =   2.766%  kept
          QB    PHE   55 - HB2   ARG+  54   4.97 +/- 0.56  13.074% * 10.3008% (0.80   1.0  1.00   3.47   4.31) =   2.759%  kept
        T HD3   PRO   93 - HB2   ARG+  54  12.06 +/- 3.85   8.133% *  0.6648% (0.90   1.0 10.00   0.02   0.02) =   0.111%  kept
        T HD3   PRO   68 - HB2   ARG+  54  18.75 +/- 4.53   1.260% *  0.6430% (0.87   1.0 10.00   0.02   0.02) =   0.017%
          HB2   PHE   59 - HB2   ARG+  54  10.30 +/- 2.13   4.187% *  0.0390% (0.53   1.0  1.00   0.02   0.02) =   0.003%
        T HD3   PRO   68 - HB2   GLU-  14  18.99 +/- 4.63   0.384% *  0.0946% (0.13   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   ARG+  54 - HB2   GLU-  14  31.23 +/- 5.65   0.098% *  0.1090% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   MET   11  25.29 +/- 4.38   0.158% *  0.0622% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HB2   GLU-  14  30.04 +/- 3.81   0.068% *  0.0978% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG2   MET   11  36.27 +/- 6.37   0.062% *  0.0643% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG2   MET   11  37.86 +/- 6.48   0.048% *  0.0717% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   GLU-  14  27.50 +/- 4.32   0.126% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB2   GLU-  14  27.79 +/- 4.20   0.086% *  0.0108% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HB2   GLU-  14  24.97 +/- 3.41   0.122% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   11  34.75 +/- 5.74   0.065% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   11  33.83 +/- 4.95   0.063% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   11  32.11 +/- 4.67   0.082% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 550 (4.11, 3.34, 43.59 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.64, residual support = 170.4:
    *   T HA    ARG+  54 - HD2   ARG+  54   4.22 +/- 0.62  89.312% * 99.0328% (1.00 10.00   5.64 170.49) =  99.974%  kept
        T HA    LEU  115 - HD2   ARG+  54  14.84 +/- 2.42   3.181% *  0.6007% (0.61 10.00   0.02   0.02) =   0.022%
          HA    LYS+  81 - HD2   ARG+  54  20.58 +/- 4.61   2.240% *  0.0641% (0.65  1.00   0.02   0.02) =   0.002%
          HA    ASN   28 - HD2   ARG+  54  26.69 +/- 5.80   1.417% *  0.0641% (0.65  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HD2   ARG+  54  24.39 +/- 3.91   0.703% *  0.0971% (0.98  1.00   0.02   0.02) =   0.001%
          HA    GLU- 114 - HD2   ARG+  54  17.16 +/- 1.98   1.674% *  0.0173% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HD2   ARG+  54  28.10 +/- 4.94   0.562% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HD2   ARG+  54  31.26 +/- 5.06   0.597% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   ARG+  54  33.31 +/- 5.65   0.314% *  0.0521% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.07 A, kept.
 
    Peak 551 (2.05, 3.34, 43.59 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 170.4:
    * O T HB2   ARG+  54 - HD2   ARG+  54   2.76 +/- 0.64  94.058% * 97.9068% (1.00  10.0 10.00   5.05 170.49) =  99.972%  kept
        T HB2   PRO   93 - HD2   ARG+  54  13.14 +/- 2.95   2.612% *  0.8493% (0.87   1.0 10.00   0.02   0.02) =   0.024%
        T HG3   GLN   30 - HD2   ARG+  54  25.88 +/- 4.83   0.309% *  0.5543% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE  119 - HD2   ARG+  54  15.50 +/- 2.45   0.982% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HD2   ARG+  54  19.94 +/- 4.08   0.571% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HD2   ARG+  54  25.82 +/- 4.78   0.308% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD2   ARG+  54  31.23 +/- 5.65   0.157% *  0.1511% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   ARG+  54  21.46 +/- 5.21   0.794% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD2   ARG+  54  37.86 +/- 6.48   0.083% *  0.1715% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   ARG+  54  31.99 +/- 4.80   0.126% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.03 A, kept.
 
    Peak 552 (1.86, 3.34, 43.59 ppm):
    14 chemical-shift based assignments, quality = 0.996, support = 4.98, residual support = 169.3:
    * O T HG2   ARG+  54 - HD2   ARG+  54   2.79 +/- 0.26  87.017% * 88.6616% (1.00  10.0 10.00   5.01 170.49) =  99.325%  kept
        T HB3   PRO   52 - HD2   ARG+  54   7.84 +/- 1.46   5.593% *  9.1486% (0.38   1.0 10.00   0.55   1.91) =   0.659%  kept
        T QB    LYS+  81 - HD2   ARG+  54  18.90 +/- 4.43   0.745% *  0.7691% (0.87   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   PRO   68 - HD2   ARG+  54  20.90 +/- 5.30   0.451% *  0.8788% (0.99   1.0 10.00   0.02   0.02) =   0.005%
          HB3   GLN   90 - HD2   ARG+  54  20.35 +/- 3.92   1.304% *  0.0818% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HD2   ARG+  54   9.34 +/- 0.93   2.613% *  0.0364% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HD2   ARG+  54  19.36 +/- 3.69   0.544% *  0.0741% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HD2   ARG+  54  26.37 +/- 4.76   0.281% *  0.0885% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   ARG+  54  22.30 +/- 3.43   0.208% *  0.0885% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   ARG+  54  18.55 +/- 3.35   0.472% *  0.0333% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   ARG+  54  27.07 +/- 4.55   0.172% *  0.0856% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   ARG+  54  25.29 +/- 4.21   0.222% *  0.0155% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   ARG+  54  25.57 +/- 4.84   0.249% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD2   ARG+  54  30.14 +/- 6.48   0.129% *  0.0247% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 553 (3.34, 3.34, 43.59 ppm):
    1 diagonal assignment:
    *     HD2   ARG+  54 - HD2   ARG+  54  (1.00)  kept
 
    Peak 554 (4.45, 4.45, 60.13 ppm):
    2 diagonal assignments:
    *     HA    PHE   55 - HA    PHE   55  (1.00)  kept
          HA    VAL   42 - HA    VAL   42  (0.13)  kept
 
    Peak 555 (3.33, 4.45, 60.13 ppm):
    12 chemical-shift based assignments, quality = 0.995, support = 3.74, residual support = 20.5:
    * O T QB    PHE   55 - HA    PHE   55   2.45 +/- 0.13  76.443% * 87.4507% (1.00  10.0 10.00   3.75  20.90) =  97.639%  kept
          HD2   ARG+  54 - HA    PHE   55   5.22 +/- 1.07  13.505% * 11.9235% (0.80   1.0  1.00   3.41   4.31) =   2.352%  kept
          HB2   PHE   59 - HA    PHE   55   8.35 +/- 1.30   2.438% *  0.0784% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HB3   CYS   53 - HA    PHE   55   7.84 +/- 0.35   2.468% *  0.0759% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HD3   PRO   93 - HA    PHE   55  12.88 +/- 3.87   1.160% *  0.0857% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T QB    PHE   55 - HA    VAL   42  16.65 +/- 1.74   0.302% *  0.2058% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HA    VAL   42  12.30 +/- 3.23   1.203% *  0.0204% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   55  18.49 +/- 3.28   0.240% *  0.0867% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HA    VAL   42  13.16 +/- 2.58   0.880% *  0.0185% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    VAL   42  15.21 +/- 2.31   0.613% *  0.0202% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    VAL   42  16.11 +/- 3.06   0.497% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    VAL   42  20.56 +/- 3.71   0.250% *  0.0165% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 556 (4.45, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 3.74, residual support = 20.9:
    * O T HA    PHE   55 - QB    PHE   55   2.45 +/- 0.13  90.898% * 98.7472% (1.00  10.0 10.00   3.75  20.90) =  99.942%  kept
          HA    ALA  110 - QB    PHE   55   9.66 +/- 4.39   8.295% *  0.6004% (0.87   1.0  1.00   0.14   0.02) =   0.055%
        T HA    VAL   42 - QB    PHE   55  16.65 +/- 1.74   0.357% *  0.5591% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN   90 - QB    PHE   55  16.09 +/- 2.95   0.451% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 557 (3.33, 3.33, 38.95 ppm):
    1 diagonal assignment:
    *     QB    PHE   55 - QB    PHE   55  (1.00)  kept
 
    Peak 558 (4.38, 4.38, 60.23 ppm):
    1 diagonal assignment:
    *     HA    ILE   56 - HA    ILE   56  (1.00)  kept
 
    Peak 559 (1.88, 4.38, 60.23 ppm):
    13 chemical-shift based assignments, quality = 0.993, support = 4.32, residual support = 122.5:
    * O T HB    ILE   56 - HA    ILE   56   2.53 +/- 0.16  85.801% * 82.4242% (1.00  10.0 10.00   4.37 124.29) =  98.545%  kept
        T HB3   PRO   58 - HA    ILE   56   6.64 +/- 1.15   6.114% * 17.0181% (0.49   1.0 10.00   0.85   0.02) =   1.450%  kept
          HG2   ARG+  54 - HA    ILE   56   7.27 +/- 0.71   3.844% *  0.0339% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB2   MET   92 - HA    ILE   56  13.69 +/- 4.00   1.483% *  0.0566% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    ILE   56  15.23 +/- 3.42   0.666% *  0.0630% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HA    ILE   56  18.98 +/- 3.19   0.308% *  0.0599% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ILE   56  16.92 +/- 3.86   0.497% *  0.0370% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ILE   56  22.60 +/- 3.04   0.240% *  0.0688% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE   56  19.46 +/- 3.68   0.259% *  0.0533% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE   56  24.18 +/- 3.03   0.196% *  0.0467% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE   56  18.41 +/- 2.92   0.314% *  0.0281% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE   56  26.43 +/- 4.28   0.104% *  0.0795% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ILE   56  21.78 +/- 3.30   0.174% *  0.0309% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 560 (1.27, 4.38, 60.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 124.3:
    * O   QG2   ILE   56 - HA    ILE   56   2.73 +/- 0.43  94.517% * 98.4757% (1.00  10.0  1.00   4.74 124.29) =  99.995%  kept
        T HG3   LYS+  38 - HA    ILE   56  27.25 +/- 4.12   0.132% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HA    ILE   56  13.73 +/- 3.20   1.623% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HA    ILE   56  19.43 +/- 2.93   0.590% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HA    ILE   56  23.88 +/- 3.31   0.220% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HA    ILE   56  19.33 +/- 2.73   0.406% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ILE   56  20.12 +/- 3.22   0.379% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   56  14.55 +/- 2.92   1.152% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   56  20.12 +/- 3.78   0.751% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   56  21.87 +/- 2.32   0.230% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 561 (1.72, 4.38, 60.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 124.3:
    * O T QG1   ILE   56 - HA    ILE   56   3.01 +/- 0.52  92.251% * 97.9351% (1.00  10.0 10.00   3.87 124.29) =  99.987%  kept
        T QD    LYS+ 106 - HA    ILE   56  15.80 +/- 3.70   1.123% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.006%
        T HB3   LYS+  99 - HA    ILE   56  23.11 +/- 3.26   0.261% *  0.9600% (0.98   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  99 - HA    ILE   56  21.21 +/- 3.35   0.359% *  0.5153% (0.53   1.0 10.00   0.02   0.02) =   0.002%
          HB3   MET   92 - HA    ILE   56  12.66 +/- 3.84   3.827% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   89 - HA    ILE   56  18.09 +/- 3.33   0.987% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HA    ILE   56  17.53 +/- 3.69   1.192% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.16 A, kept.
 
    Peak 563 (4.38, 1.88, 41.57 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.36, residual support = 124.1:
    * O T HA    ILE   56 - HB    ILE   56   2.53 +/- 0.16  90.608% * 96.6107% (1.00  10.0 10.00   4.37 124.29) =  99.859%  kept
        T HA    PRO   58 - HB    ILE   56   7.28 +/- 1.25   5.413% *  2.1041% (0.28   1.0 10.00   0.16   0.02) =   0.130%  kept
        T HA    LEU  123 - HB    ILE   56  15.02 +/- 3.08   0.819% *  0.9470% (0.98   1.0 10.00   0.02   0.02) =   0.009%
          HA    ASP- 113 - HB    ILE   56   9.82 +/- 1.89   2.396% *  0.0625% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASN   35 - HB    ILE   56  26.14 +/- 4.19   0.181% *  0.0964% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB    ILE   56  22.27 +/- 2.75   0.163% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    ILE   56  19.92 +/- 3.55   0.256% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    ILE   56  25.50 +/- 3.55   0.103% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    ILE   56  30.14 +/- 3.92   0.062% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 564 (1.88, 1.88, 41.57 ppm):
    1 diagonal assignment:
    *     HB    ILE   56 - HB    ILE   56  (1.00)  kept
 
    Peak 565 (1.27, 1.88, 41.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.5, residual support = 124.3:
    * O T QG2   ILE   56 - HB    ILE   56   2.12 +/- 0.02  97.413% * 98.4757% (1.00  10.0 10.00   5.50 124.29) =  99.998%  kept
        T HG3   LYS+  38 - HB    ILE   56  26.68 +/- 4.01   0.062% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HB    ILE   56  12.77 +/- 3.24   0.769% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HB    ILE   56  18.92 +/- 2.99   0.270% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   56  23.37 +/- 3.16   0.086% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB    ILE   56  18.86 +/- 2.66   0.167% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB    ILE   56  20.04 +/- 3.18   0.181% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   56  14.34 +/- 2.84   0.445% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   56  19.85 +/- 4.14   0.497% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   56  21.61 +/- 3.08   0.111% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 566 (1.72, 1.88, 41.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.59, residual support = 124.3:
    * O T QG1   ILE   56 - HB    ILE   56   2.25 +/- 0.12  95.046% * 98.7886% (1.00  10.0 10.00   4.59 124.29) =  99.994%  kept
        T QD    LYS+ 106 - HB    ILE   56  14.92 +/- 3.61   0.733% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  99 - HB    ILE   56  20.79 +/- 3.13   0.162% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HB    ILE   56  11.60 +/- 3.89   2.758% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   89 - HB    ILE   56  17.21 +/- 3.65   0.530% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    ILE   56  17.22 +/- 3.97   0.648% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB    ILE   56  22.55 +/- 3.11   0.124% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 569 (1.88, 1.27, 17.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.5, residual support = 124.3:
    * O T HB    ILE   56 - QG2   ILE   56   2.12 +/- 0.02  86.533% * 98.4311% (1.00  10.0 10.00   5.50 124.29) =  99.990%  kept
          HB2   MET   92 - QG2   ILE   56  10.03 +/- 3.67   3.042% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - QG2   ILE   56   6.48 +/- 1.22   4.185% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   58 - QG2   ILE   56   6.98 +/- 0.61   2.639% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+  38 - QG2   ILE   56  21.54 +/- 3.43   0.108% *  0.9499% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QG2   ILE   56  11.92 +/- 2.88   0.893% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QG2   ILE   56  14.95 +/- 3.06   0.637% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QG2   ILE   56  14.86 +/- 3.44   0.370% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   ILE   56  18.51 +/- 2.98   0.276% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   ILE   56  13.73 +/- 3.10   0.449% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE   56  15.24 +/- 2.78   0.438% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE   56  19.89 +/- 2.99   0.243% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   ILE   56  17.51 +/- 2.58   0.187% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 570 (1.27, 1.27, 17.92 ppm):
    1 diagonal assignment:
    *     QG2   ILE   56 - QG2   ILE   56  (1.00)  kept
 
    Peak 571 (1.72, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.84, residual support = 124.3:
    * O T QG1   ILE   56 - QG2   ILE   56   2.25 +/- 0.19  89.652% * 98.7886% (1.00  10.0 10.00   4.84 124.29) =  99.990%  kept
        T QD    LYS+ 106 - QG2   ILE   56  12.39 +/- 3.10   1.098% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.006%
          HB3   MET   92 - QG2   ILE   56   9.19 +/- 3.53   6.529% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  99 - QG2   ILE   56  17.48 +/- 2.82   0.234% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   89 - QG2   ILE   56  13.87 +/- 3.35   0.791% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - QG2   ILE   56  14.37 +/- 3.63   1.520% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QG2   ILE   56  18.94 +/- 2.79   0.176% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 573 (4.38, 1.72, 31.79 ppm):
    9 chemical-shift based assignments, quality = 0.996, support = 3.85, residual support = 123.5:
    * O T HA    ILE   56 - QG1   ILE   56   3.01 +/- 0.52  67.984% * 95.8785% (1.00  10.0 10.00   3.87 124.29) =  99.333%  kept
          HA    PRO   58 - QG1   ILE   56   6.06 +/- 0.97  14.982% *  2.3174% (0.28   1.0  1.00   1.74   0.02) =   0.529%  kept
        T HA    ASP- 113 - QG1   ILE   56   8.43 +/- 2.07  13.746% *  0.6202% (0.65   1.0 10.00   0.02   0.02) =   0.130%  kept
        T HA    LYS+  99 - QG1   ILE   56  18.51 +/- 2.61   0.383% *  0.9070% (0.95   1.0 10.00   0.02   0.02) =   0.005%
          HA    LEU  123 - QG1   ILE   56  12.77 +/- 1.96   1.433% *  0.0940% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - QG1   ILE   56  16.45 +/- 3.06   0.768% *  0.0394% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QG1   ILE   56  22.08 +/- 3.57   0.270% *  0.0957% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG1   ILE   56  21.61 +/- 3.01   0.278% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QG1   ILE   56  25.92 +/- 3.32   0.155% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.05 A, kept.
 
    Peak 574 (1.88, 1.72, 31.79 ppm):
    13 chemical-shift based assignments, quality = 0.998, support = 4.58, residual support = 123.9:
    * O T HB    ILE   56 - QG1   ILE   56   2.25 +/- 0.12  86.263% * 93.5100% (1.00  10.0 10.00   4.59 124.29) =  99.673%  kept
          HB3   PRO   58 - QG1   ILE   56   6.57 +/- 1.13   4.790% *  5.2141% (0.49   1.0  1.00   2.29   0.02) =   0.309%  kept
        T QB    LYS+ 106 - QG1   ILE   56  11.91 +/- 2.97   1.598% *  0.7146% (0.76   1.0 10.00   0.02   0.02) =   0.014%
          HB2   MET   92 - QG1   ILE   56  11.23 +/- 3.20   2.093% *  0.0642% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - QG1   ILE   56   7.88 +/- 1.28   2.610% *  0.0384% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QG1   ILE   56  13.22 +/- 3.25   0.719% *  0.0419% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG1   ILE   56  16.12 +/- 2.84   0.335% *  0.0679% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG1   ILE   56  16.03 +/- 3.08   0.321% *  0.0605% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG1   ILE   56  15.27 +/- 2.65   0.510% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG1   ILE   56  18.69 +/- 2.68   0.201% *  0.0781% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG1   ILE   56  21.78 +/- 3.54   0.128% *  0.0902% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG1   ILE   56  17.59 +/- 2.73   0.259% *  0.0351% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG1   ILE   56  20.18 +/- 2.62   0.171% *  0.0529% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 575 (1.27, 1.72, 31.79 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.84, residual support = 124.3:
    * O T QG2   ILE   56 - QG1   ILE   56   2.25 +/- 0.19  93.869% * 98.4757% (1.00  10.0 10.00   4.84 124.29) =  99.996%  kept
          QB    ALA   91 - QG1   ILE   56  11.16 +/- 2.61   1.692% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - QG1   ILE   56  22.56 +/- 3.39   0.122% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   34 - QG1   ILE   56  15.86 +/- 2.48   0.422% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG1   ILE   56  19.49 +/- 2.86   0.172% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG1   ILE   56  16.56 +/- 3.63   1.718% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QG1   ILE   56  15.81 +/- 2.31   0.334% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QG1   ILE   56  11.88 +/- 2.85   1.132% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   ILE   56  17.27 +/- 2.72   0.296% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG1   ILE   56  18.18 +/- 2.62   0.244% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 576 (1.72, 1.72, 31.79 ppm):
    1 diagonal assignment:
    *     QG1   ILE   56 - QG1   ILE   56  (1.00)  kept
 
    Peak 583 (4.41, 3.81, 50.93 ppm):
    11 chemical-shift based assignments, quality = 0.924, support = 6.53, residual support = 143.1:
    * O T HA    PRO   58 - HD2   PRO   58   3.90 +/- 0.09  36.183% * 97.4037% (0.95  10.0 10.00   6.69 147.90) =  96.777%  kept
          HA    ILE   56 - HD2   PRO   58   3.33 +/- 1.09  56.494% *  2.0704% (0.26   1.0  1.00   1.53   0.02) =   3.212%  kept
          HA    THR   46 - HD2   PRO   58  11.57 +/- 3.28   4.093% *  0.0591% (0.57   1.0  1.00   0.02   0.02) =   0.007%
          HA    LEU  123 - HD2   PRO   58  14.57 +/- 2.72   1.430% *  0.0366% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HD2   PRO   58  19.89 +/- 3.35   0.523% *  0.0940% (0.91   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HD2   PRO   58  19.88 +/- 4.06   0.359% *  0.0512% (0.50   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HD2   PRO   58  24.41 +/- 3.48   0.178% *  0.0972% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   58  28.84 +/- 3.88   0.111% *  0.0972% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   58  26.83 +/- 3.19   0.155% *  0.0512% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HD2   PRO   58  25.92 +/- 3.70   0.218% *  0.0243% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD2   PRO   58  22.22 +/- 2.75   0.257% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 584 (2.35, 3.81, 50.93 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 6.92, residual support = 147.9:
    * O T HB2   PRO   58 - HD2   PRO   58   3.89 +/- 0.19  82.923% * 99.3830% (0.95  10.0 10.00   6.92 147.90) =  99.990%  kept
          HB2   GLN  116 - HD2   PRO   58   9.69 +/- 1.71   7.986% *  0.0563% (0.54   1.0  1.00   0.02   0.02) =   0.005%
        T HB2   GLU- 100 - HD2   PRO   58  26.58 +/- 2.55   0.300% *  0.4456% (0.42   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   97 - HD2   PRO   58  17.04 +/- 3.59   1.710% *  0.0722% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HD2   PRO   58  11.01 +/- 2.15   6.375% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HD2   PRO   58  26.18 +/- 4.90   0.706% *  0.0276% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 585 (1.89, 3.81, 50.93 ppm):
    12 chemical-shift based assignments, quality = 0.79, support = 6.82, residual support = 141.4:
    * O T HB3   PRO   58 - HD2   PRO   58   3.91 +/- 0.23  46.532% * 92.5435% (0.79  10.0 10.00   7.08 147.90) =  95.590%  kept
          HB    ILE   56 - HD2   PRO   58   4.26 +/- 1.63  39.591% *  4.9887% (0.79   1.0  1.00   1.08   0.02) =   4.384%  kept
        T HB3   GLN   30 - HD2   PRO   58  21.26 +/- 2.98   0.436% *  1.1079% (0.95   1.0 10.00   0.02   0.02) =   0.011%
        T HB3   LYS+  38 - HD2   PRO   58  25.73 +/- 3.93   0.198% *  1.0481% (0.89   1.0 10.00   0.02   0.02) =   0.005%
          HB2   MET   92 - HD2   PRO   58  14.43 +/- 3.87   1.822% *  0.1069% (0.91   1.0  1.00   0.02   0.02) =   0.004%
          HG2   ARG+  54 - HD2   PRO   58   8.14 +/- 1.43   7.772% *  0.0171% (0.15   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HD2   PRO   58  15.55 +/- 3.25   1.056% *  0.0455% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HD2   PRO   58  18.93 +/- 3.39   0.648% *  0.0416% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HD2   PRO   58  16.82 +/- 4.02   1.063% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   PRO   58  19.76 +/- 3.82   0.498% *  0.0342% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   PRO   58  23.07 +/- 2.74   0.296% *  0.0276% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HD2   PRO   58  34.23 +/- 5.11   0.087% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.15 A, kept.
 
    Peak 586 (2.08, 3.81, 50.93 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.6, residual support = 147.9:
    * O T HG2   PRO   58 - HD2   PRO   58   2.57 +/- 0.30  88.367% * 98.7160% (0.95  10.0 10.00   6.60 147.90) =  99.976%  kept
        T HG3   PRO   52 - HD2   PRO   58  12.20 +/- 2.02   1.834% *  0.9872% (0.95   1.0 10.00   0.02   0.02) =   0.021%
          HB2   PRO   93 - HD2   PRO   58  10.68 +/- 4.10   8.440% *  0.0305% (0.29   1.0  1.00   0.02   0.02) =   0.003%
          HB2   PRO   68 - HD2   PRO   58  18.98 +/- 1.79   0.281% *  0.0370% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   58  26.60 +/- 4.05   0.102% *  0.0978% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   58  20.54 +/- 4.32   0.565% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD2   PRO   58  23.99 +/- 3.61   0.355% *  0.0195% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   58  33.81 +/- 5.22   0.055% *  0.0968% (0.93   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 587 (3.81, 3.81, 50.93 ppm):
    1 diagonal assignment:
    *     HD2   PRO   58 - HD2   PRO   58  (0.89)  kept
 
    Peak 588 (4.41, 4.41, 66.06 ppm):
    1 diagonal assignment:
    *     HA    PRO   58 - HA    PRO   58  (1.00)  kept
 
    Peak 589 (2.35, 4.41, 66.06 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.27, residual support = 147.9:
    * O T HB2   PRO   58 - HA    PRO   58   2.63 +/- 0.19  96.174% * 99.2784% (1.00  10.0 10.00   6.27 147.90) =  99.991%  kept
        T HB2   GLN  116 - HA    PRO   58  11.59 +/- 1.49   1.291% *  0.5621% (0.57   1.0 10.00   0.02   0.02) =   0.008%
          HB3   PHE   97 - HA    PRO   58  16.22 +/- 3.77   1.017% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HA    PRO   58  13.45 +/- 2.39   1.088% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   58  24.17 +/- 4.71   0.284% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    PRO   58  25.00 +/- 3.05   0.145% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 590 (1.89, 4.41, 66.06 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 6.22, residual support = 147.8:
    * O T HB3   PRO   58 - HA    PRO   58   2.41 +/- 0.19  90.552% * 98.4544% (0.84  10.0 10.00   6.23 147.90) =  99.950%  kept
        T HB    ILE   56 - HA    PRO   58   7.28 +/- 1.25   4.291% *  0.9845% (0.84   1.0 10.00   0.02   0.02) =   0.047%
          HB2   MET   92 - HA    PRO   58  15.92 +/- 3.92   0.605% *  0.1138% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HA    PRO   58  10.49 +/- 1.52   1.907% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    PRO   58  18.83 +/- 2.83   0.267% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    PRO   58  15.88 +/- 3.26   0.542% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    PRO   58  23.47 +/- 3.99   0.159% *  0.1115% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    PRO   58  18.92 +/- 3.55   0.369% *  0.0442% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   58  16.44 +/- 4.08   0.775% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   58  20.48 +/- 4.33   0.294% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   58  20.71 +/- 2.38   0.176% *  0.0294% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    PRO   58  31.57 +/- 5.10   0.063% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 591 (2.08, 4.41, 66.06 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 147.8:
    * O T HG2   PRO   58 - HA    PRO   58   3.97 +/- 0.02  81.232% * 98.7160% (1.00  10.0 10.00   5.98 147.90) =  99.963%  kept
        T HG3   PRO   52 - HA    PRO   58  14.73 +/- 2.18   2.451% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.030%
          HB2   PRO   93 - HA    PRO   58  12.12 +/- 4.06  11.159% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.004%
          HB2   GLU-  14 - HA    PRO   58  23.81 +/- 4.55   0.539% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HA    PRO   58  16.72 +/- 1.69   1.236% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - HA    PRO   58  18.81 +/- 4.48   2.353% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   58  31.17 +/- 5.17   0.238% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   58  21.87 +/- 3.13   0.791% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.11 A, kept.
 
    Peak 592 (3.81, 4.41, 66.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.69, residual support = 147.9:
    * O T HD2   PRO   58 - HA    PRO   58   3.90 +/- 0.09  87.005% * 98.5403% (0.95  10.0 10.00   6.69 147.90) =  99.987%  kept
        T HA    GLU- 100 - HA    PRO   58  24.18 +/- 2.93   0.461% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.006%
          HB2   CYS   53 - HA    PRO   58   9.93 +/- 2.49  11.208% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.005%
        T HA    LYS+  38 - HA    PRO   58  22.60 +/- 3.51   0.715% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HA    PRO   58  22.43 +/- 3.40   0.611% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.07 A, kept.
 
    Peak 593 (4.41, 2.35, 31.07 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.27, residual support = 147.9:
    * O T HA    PRO   58 - HB2   PRO   58   2.63 +/- 0.19  74.574% * 99.4356% (1.00  10.0 10.00   6.27 147.90) =  99.982%  kept
          HA    THR   46 - HB2   PRO   58  12.97 +/- 4.41  16.450% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.013%
          HA    ILE   56 - HB2   PRO   58   6.56 +/- 1.20   6.216% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU  123 - HB2   PRO   58  13.56 +/- 2.89   1.347% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HB2   PRO   58  19.15 +/- 3.49   0.357% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   PRO   58  18.54 +/- 4.65   0.369% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   PRO   58  22.92 +/- 3.85   0.145% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   PRO   58  27.20 +/- 4.17   0.083% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   PRO   58  25.67 +/- 2.87   0.098% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PRO   58  21.65 +/- 3.65   0.223% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PRO   58  25.10 +/- 3.69   0.137% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 594 (2.35, 2.35, 31.07 ppm):
    1 diagonal assignment:
    *     HB2   PRO   58 - HB2   PRO   58  (1.00)  kept
 
    Peak 595 (1.89, 2.35, 31.07 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 4.52, residual support = 147.9:
    * O T HB3   PRO   58 - HB2   PRO   58   1.75 +/- 0.00  95.066% * 98.9371% (0.84  10.0 10.00   4.52 147.90) =  99.996%  kept
          HB    ILE   56 - HB2   PRO   58   7.24 +/- 1.64   2.333% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T QB    LYS+  81 - HB2   PRO   58  19.82 +/- 3.91   0.120% *  0.4446% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HB2   PRO   58  10.73 +/- 2.21   1.374% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   PRO   58  16.61 +/- 3.78   0.181% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   PRO   58  16.40 +/- 3.67   0.256% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   PRO   58  20.38 +/- 2.92   0.082% *  0.1184% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   58  16.92 +/- 4.76   0.325% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PRO   58  24.89 +/- 3.89   0.052% *  0.1120% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   58  21.22 +/- 4.59   0.133% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   58  22.04 +/- 2.33   0.056% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   58  32.54 +/- 5.38   0.021% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (2.08, 2.35, 31.07 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 147.9:
    * O T HG2   PRO   58 - HB2   PRO   58   2.49 +/- 0.29  95.270% * 98.7160% (1.00  10.0 10.00   4.28 147.90) =  99.989%  kept
        T HG3   PRO   52 - HB2   PRO   58  15.10 +/- 2.24   0.909% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.010%
          HB2   PRO   93 - HB2   PRO   58  12.73 +/- 4.00   2.681% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HB2   PRO   58  17.64 +/- 1.92   0.373% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   58  25.02 +/- 4.51   0.128% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   58  32.14 +/- 5.40   0.092% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   58  20.21 +/- 4.96   0.379% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   58  23.22 +/- 3.43   0.168% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 597 (3.81, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.92, residual support = 147.9:
    * O T HD2   PRO   58 - HB2   PRO   58   3.89 +/- 0.19  85.047% * 98.5403% (0.95  10.0 10.00   6.92 147.90) =  99.987%  kept
          HB2   CYS   53 - HB2   PRO   58  10.41 +/- 3.04  13.224% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.006%
        T HA    GLU- 100 - HB2   PRO   58  25.24 +/- 3.37   0.414% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.005%
        T HA    LYS+  38 - HB2   PRO   58  24.08 +/- 3.47   0.525% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HB2   PRO   58  23.50 +/- 3.79   0.790% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 0 structures by 0.01 A, kept.
 
    Peak 598 (4.41, 1.89, 31.07 ppm):
    11 chemical-shift based assignments, quality = 0.83, support = 6.18, residual support = 146.7:
    * O T HA    PRO   58 - HB3   PRO   58   2.41 +/- 0.19  84.509% * 89.0206% (0.84  10.0 10.00   6.23 147.90) =  99.162%  kept
        T HA    ILE   56 - HB3   PRO   58   6.64 +/- 1.15   6.008% * 10.4989% (0.23   1.0 10.00   0.85   0.02) =   0.831%  kept
          HA    THR   46 - HB3   PRO   58  13.52 +/- 4.22   7.250% *  0.0540% (0.51   1.0  1.00   0.02   0.02) =   0.005%
          HA    LEU  123 - HB3   PRO   58  13.89 +/- 2.89   1.058% *  0.0334% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   PRO   58  19.43 +/- 3.63   0.285% *  0.0859% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   PRO   58  18.79 +/- 4.74   0.337% *  0.0468% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   PRO   58  23.13 +/- 4.01   0.129% *  0.0888% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   58  27.31 +/- 4.37   0.074% *  0.0888% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   58  25.80 +/- 3.07   0.089% *  0.0468% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PRO   58  25.26 +/- 3.87   0.105% *  0.0222% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PRO   58  22.10 +/- 3.55   0.155% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 599 (2.35, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.52, residual support = 147.9:
    * O T HB2   PRO   58 - HB3   PRO   58   1.75 +/- 0.00  98.879% * 99.1367% (0.84  10.0 10.00   4.52 147.90) =  99.998%  kept
        T HB3   PHE   97 - HB3   PRO   58  17.50 +/- 4.26   0.254% *  0.7199% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HB2   GLN  116 - HB3   PRO   58  11.37 +/- 1.92   0.495% *  0.0561% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   PRO   58  14.19 +/- 2.14   0.268% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   58  25.63 +/- 5.24   0.068% *  0.0276% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   PRO   58  26.41 +/- 3.37   0.036% *  0.0444% (0.37   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 600 (1.89, 1.89, 31.07 ppm):
    1 diagonal assignment:
    *     HB3   PRO   58 - HB3   PRO   58  (0.70)  kept
 
    Peak 601 (2.08, 1.89, 31.07 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.23, residual support = 147.9:
    * O T HG2   PRO   58 - HB3   PRO   58   2.76 +/- 0.30  87.666% * 97.0168% (0.84  10.0 10.00   4.24 147.90) =  99.987%  kept
        T HG3   PRO   52 - HB3   PRO   58  15.39 +/- 1.97   0.589% *  0.9702% (0.84   1.0 10.00   0.02   0.02) =   0.007%
          HB2   PRO   93 - HB3   PRO   58  13.12 +/- 4.36  10.076% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.004%
        T HB2   GLU-  14 - HB3   PRO   58  25.15 +/- 4.76   0.179% *  0.9616% (0.83   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   MET   11 - HB3   PRO   58  32.30 +/- 5.67   0.074% *  0.9510% (0.82   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HB3   PRO   58  17.83 +/- 2.29   0.389% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   58  20.43 +/- 4.96   0.762% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   58  23.35 +/- 3.47   0.265% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.33 A, kept.
 
    Peak 602 (3.81, 1.89, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.79, support = 7.08, residual support = 147.9:
    * O T HD2   PRO   58 - HB3   PRO   58   3.91 +/- 0.23  87.808% * 98.5403% (0.79  10.0 10.00   7.08 147.90) =  99.988%  kept
        T HA    GLU- 100 - HB3   PRO   58  25.64 +/- 3.31   0.413% *  1.0325% (0.83   1.0 10.00   0.02   0.02) =   0.005%
          HB2   CYS   53 - HB3   PRO   58  10.74 +/- 2.71  10.544% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.004%
        T HA    LYS+  38 - HB3   PRO   58  24.28 +/- 3.71   0.605% *  0.2896% (0.23   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HB3   PRO   58  24.04 +/- 3.86   0.630% *  0.1021% (0.82   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.93 A violated in 0 structures by 0.08 A, kept.
 
    Peak 603 (4.41, 2.08, 28.60 ppm):
    22 chemical-shift based assignments, quality = 0.997, support = 5.96, residual support = 147.3:
    * O T HA    PRO   58 - HG2   PRO   58   3.97 +/- 0.02  40.800% * 97.8059% (1.00  10.0 10.00   5.98 147.90) =  99.588%  kept
          HA    ILE   56 - HG2   PRO   58   4.66 +/- 1.45  34.242% *  0.4249% (0.28   1.0  1.00   0.31   0.02) =   0.363%  kept
        T HA    PRO   58 - HG3   PRO   52  14.73 +/- 2.18   0.957% *  0.7918% (0.81   1.0 10.00   0.02   0.02) =   0.019%
          HA    THR   46 - HG2   PRO   58  12.94 +/- 3.73  10.941% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.016%
          HA    THR   46 - HG3   PRO   52   9.96 +/- 2.89   4.548% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.005%
          HA    LEU  123 - HG2   PRO   58  13.49 +/- 2.83   2.402% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - HG2   PRO   58  20.09 +/- 3.39   0.546% *  0.0944% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   56 - HG3   PRO   52  10.57 +/- 0.85   2.321% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HG2   PRO   58  19.91 +/- 4.43   0.480% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HG3   PRO   52  22.07 +/- 4.73   0.777% *  0.0297% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HG2   PRO   58  24.39 +/- 3.69   0.214% *  0.0976% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG3   PRO   52  24.85 +/- 2.80   0.203% *  0.0764% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   PRO   58  28.71 +/- 4.05   0.130% *  0.0976% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   52  30.45 +/- 4.04   0.107% *  0.0790% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG2   PRO   58  26.89 +/- 2.98   0.161% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   52  25.92 +/- 4.52   0.184% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   52  34.85 +/- 4.42   0.071% *  0.0790% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   PRO   58  26.20 +/- 3.76   0.215% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG2   PRO   58  22.36 +/- 3.42   0.337% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   52  32.09 +/- 3.30   0.094% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   PRO   52  30.66 +/- 3.78   0.128% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG3   PRO   52  27.10 +/- 2.55   0.143% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.04 A, kept.
 
    Peak 604 (2.35, 2.08, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.784, support = 4.7, residual support = 166.4:
    * O T HB2   PRO   58 - HG2   PRO   58   2.49 +/- 0.29  27.113% * 87.8577% (1.00  10.0 10.00   4.28 147.90) =  75.278%  kept
      O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  71.262% * 10.9746% (0.12  10.0 10.00   5.97 222.96) =  24.715%  kept
        T HB2   PRO   58 - HG3   PRO   52  15.10 +/- 2.24   0.165% *  0.7113% (0.81   1.0 10.00   0.02   0.02) =   0.004%
          HB2   GLN  116 - HG2   PRO   58   9.51 +/- 1.99   0.716% *  0.0497% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   PRO   52 - HG2   PRO   58  12.73 +/- 1.93   0.255% *  0.1356% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   97 - HG2   PRO   58  17.21 +/- 4.24   0.159% *  0.0638% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG3   PRO   52  14.56 +/- 2.87   0.180% *  0.0403% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   PRO   52  21.66 +/- 3.38   0.051% *  0.0516% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   PRO   58  26.71 +/- 3.18   0.024% *  0.0394% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  26.81 +/- 5.15   0.038% *  0.0244% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  29.18 +/- 4.96   0.024% *  0.0198% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   PRO   52  31.17 +/- 3.14   0.014% *  0.0319% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 605 (1.89, 2.08, 28.60 ppm):
    24 chemical-shift based assignments, quality = 0.835, support = 4.22, residual support = 147.4:
    * O T HB3   PRO   58 - HG2   PRO   58   2.76 +/- 0.30  61.020% * 96.3592% (0.84  10.0 10.00   4.24 147.90) =  99.695%  kept
          HB    ILE   56 - HG2   PRO   58   5.42 +/- 1.75  21.993% *  0.7548% (0.84   1.0  1.00   0.16   0.02) =   0.281%  kept
          HB2   MET   92 - HG3   PRO   52  10.61 +/- 4.66   3.931% *  0.0901% (0.78   1.0  1.00   0.02   0.02) =   0.006%
        T HB3   PRO   58 - HG3   PRO   52  15.39 +/- 1.97   0.414% *  0.7801% (0.68   1.0 10.00   0.02   0.02) =   0.005%
        T QB    LYS+  81 - HG3   PRO   52  16.78 +/- 3.63   0.410% *  0.3505% (0.30   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE   56 - HG3   PRO   52  10.51 +/- 1.31   1.637% *  0.0780% (0.68   1.0  1.00   0.02   0.02) =   0.002%
        T QB    LYS+  81 - HG2   PRO   58  20.07 +/- 3.57   0.253% *  0.4330% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HG2   PRO   58   9.66 +/- 2.04   2.879% *  0.0178% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HG2   PRO   58  16.01 +/- 3.51   0.456% *  0.1113% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG3   PRO   52   8.11 +/- 1.16   2.946% *  0.0144% (0.12   1.0  1.00   0.02   1.91) =   0.001%
          QB    LYS+ 106 - HG2   PRO   58  16.05 +/- 3.76   0.754% *  0.0474% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HG3   PRO   52  17.20 +/- 4.17   0.648% *  0.0384% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   PRO   58  21.71 +/- 2.96   0.201% *  0.1154% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  16.84 +/- 4.81   0.819% *  0.0202% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  16.42 +/- 4.30   0.541% *  0.0288% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   PRO   58  25.90 +/- 3.89   0.114% *  0.1091% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   PRO   52  25.84 +/- 3.75   0.118% *  0.0934% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  21.02 +/- 4.10   0.273% *  0.0356% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG2   PRO   58  34.04 +/- 5.35   0.040% *  0.2020% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   PRO   52  39.87 +/- 5.75   0.034% *  0.1636% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   PRO   52  30.59 +/- 3.37   0.056% *  0.0883% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  23.26 +/- 2.53   0.141% *  0.0288% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  21.45 +/- 3.24   0.194% *  0.0164% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  27.50 +/- 3.69   0.129% *  0.0233% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.23 A, kept.
 
    Peak 606 (2.08, 2.08, 28.60 ppm):
    2 diagonal assignments:
    *     HG2   PRO   58 - HG2   PRO   58  (1.00)  kept
          HG3   PRO   52 - HG3   PRO   52  (0.81)  kept
 
    Peak 607 (3.81, 2.08, 28.60 ppm):
    10 chemical-shift based assignments, quality = 0.943, support = 6.59, residual support = 147.4:
    * O T HD2   PRO   58 - HG2   PRO   58   2.57 +/- 0.30  86.121% * 92.8731% (0.95  10.0 10.00   6.60 147.90) =  99.517%  kept
          HB2   CYS   53 - HG3   PRO   52   6.57 +/- 0.56   6.260% *  5.9420% (0.28   1.0  1.00   4.38  55.28) =   0.463%  kept
        T HD2   PRO   58 - HG3   PRO   52  12.20 +/- 2.02   1.767% *  0.7519% (0.77   1.0 10.00   0.02   0.02) =   0.017%
          HB2   CYS   53 - HG2   PRO   58   9.72 +/- 2.44   4.525% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HG3   PRO   52  21.87 +/- 4.27   0.635% *  0.0779% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   83 - HG2   PRO   58  23.95 +/- 3.59   0.306% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG2   PRO   58  26.02 +/- 3.15   0.112% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   52  30.46 +/- 2.69   0.063% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   58  25.14 +/- 3.46   0.136% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   52  29.82 +/- 2.98   0.074% *  0.0221% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 608 (4.35, 4.35, 60.90 ppm):
    1 diagonal assignment:
    *     HA    PHE   59 - HA    PHE   59  (1.00)  kept
 
    Peak 609 (3.32, 4.35, 60.90 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 57.9:
    * O T HB2   PHE   59 - HA    PHE   59   2.77 +/- 0.29  90.711% * 99.6348% (1.00  10.0 10.00   3.26  57.86) =  99.992%  kept
          QB    PHE   55 - HA    PHE   59   9.37 +/- 0.95   2.761% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HB3   CYS   53 - HA    PHE   59  10.37 +/- 1.54   2.431% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   68 - HA    PHE   59  12.18 +/- 2.31   1.592% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HA    PHE   59  14.43 +/- 2.91   1.099% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HA    PHE   59  12.65 +/- 2.10   1.405% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 610 (3.16, 4.35, 60.90 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 57.9:
    * O T HB3   PHE   59 - HA    PHE   59   2.77 +/- 0.20  99.301% * 99.9552% (1.00  10.0 10.00   3.94  57.86) = 100.000%  kept
          HB3   TRP   49 - HA    PHE   59  18.41 +/- 3.23   0.699% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 611 (4.35, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 57.9:
    * O T HA    PHE   59 - HB2   PHE   59   2.77 +/- 0.29  96.424% * 99.8386% (1.00  10.0 10.00   3.26  57.86) =  99.998%  kept
          HA    ASP- 113 - HB2   PHE   59  10.10 +/- 1.81   2.512% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   87 - HB2   PHE   59  20.64 +/- 3.20   0.335% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PHE   59  19.51 +/- 3.33   0.431% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PHE   59  23.45 +/- 3.39   0.298% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 612 (3.32, 3.32, 39.73 ppm):
    1 diagonal assignment:
    *     HB2   PHE   59 - HB2   PHE   59  (1.00)  kept
 
    Peak 613 (3.16, 3.32, 39.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 57.9:
    * O T HB3   PHE   59 - HB2   PHE   59   1.75 +/- 0.00  99.796% * 99.9552% (1.00  10.0 10.00   3.44  57.86) = 100.000%  kept
          HB3   TRP   49 - HB2   PHE   59  17.10 +/- 2.95   0.204% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 614 (4.35, 3.16, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 57.9:
    * O T HA    PHE   59 - HB3   PHE   59   2.77 +/- 0.20  95.548% * 99.8386% (1.00  10.0 10.00   3.94  57.86) =  99.998%  kept
          HA    ASP- 113 - HB3   PHE   59   9.74 +/- 1.79   3.450% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   87 - HB3   PHE   59  20.20 +/- 3.09   0.358% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PHE   59  19.45 +/- 3.09   0.405% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PHE   59  23.53 +/- 3.42   0.240% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 615 (3.32, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 57.9:
    * O T HB2   PHE   59 - HB3   PHE   59   1.75 +/- 0.00  96.046% * 99.6348% (1.00  10.0 10.00   3.44  57.86) =  99.997%  kept
          QB    PHE   55 - HB3   PHE   59   7.63 +/- 1.08   1.433% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   CYS   53 - HB3   PHE   59   8.71 +/- 1.44   1.205% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HB3   PHE   59  12.52 +/- 2.97   0.432% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB3   PHE   59  11.39 +/- 2.12   0.606% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB3   PHE   59  13.26 +/- 1.84   0.278% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 616 (3.16, 3.16, 39.73 ppm):
    1 diagonal assignment:
    *     HB3   PHE   59 - HB3   PHE   59  (1.00)  kept
 
    Peak 617 (3.92, 3.92, 62.21 ppm):
    1 diagonal assignment:
    *     HA    PHE   60 - HA    PHE   60  (1.00)  kept
 
    Peak 618 (3.40, 3.92, 62.21 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.4:
    * O T HB2   PHE   60 - HA    PHE   60   2.85 +/- 0.25  99.475% * 99.9010% (1.00  10.0 10.00   4.00  72.41) =  99.999%  kept
          HB2   TRP   87 - HA    PHE   60  17.27 +/- 2.20   0.525% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 619 (2.97, 3.92, 62.21 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.4:
    * O T HB3   PHE   60 - HA    PHE   60   2.67 +/- 0.26  93.130% * 99.7797% (1.00  10.0 10.00   4.00  72.41) =  99.994%  kept
          QE    LYS+ 106 - HA    PHE   60  14.21 +/- 2.94   4.158% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.004%
          HB2   PHE   97 - HA    PHE   60  13.01 +/- 3.00   1.225% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HA    PHE   60  14.64 +/- 2.71   1.145% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HA    PHE   60  21.44 +/- 3.19   0.342% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 620 (3.92, 3.40, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.4:
    * O T HA    PHE   60 - HB2   PHE   60   2.85 +/- 0.25  91.314% * 99.8400% (1.00  10.0 10.00   4.00  72.41) =  99.997%  kept
          QB    SER  117 - HB2   PHE   60  12.00 +/- 2.03   2.137% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HB2   PHE   60  11.22 +/- 3.35   3.416% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB2   PHE   60  13.47 +/- 2.07   1.146% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   60  14.56 +/- 2.11   0.942% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   PHE   60  14.25 +/- 2.51   1.045% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 621 (3.40, 3.40, 40.02 ppm):
    1 diagonal assignment:
    *     HB2   PHE   60 - HB2   PHE   60  (1.00)  kept
 
    Peak 622 (2.97, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.4:
    * O T HB3   PHE   60 - HB2   PHE   60   1.75 +/- 0.00  98.795% * 99.7797% (1.00  10.0 10.00   4.00  72.41) =  99.999%  kept
          QE    LYS+ 106 - HB2   PHE   60  14.23 +/- 3.14   0.517% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HB2   PHE   60  13.56 +/- 3.32   0.344% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   PHE   60  14.46 +/- 2.45   0.253% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB2   PHE   60  21.78 +/- 3.61   0.090% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 623 (3.92, 2.97, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.4:
    * O T HA    PHE   60 - HB3   PHE   60   2.67 +/- 0.26  92.858% * 99.8400% (1.00  10.0 10.00   4.00  72.41) =  99.997%  kept
          QB    SER  117 - HB3   PHE   60  11.94 +/- 2.43   1.782% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HB3   PHE   60  11.71 +/- 3.12   2.590% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB3   PHE   60  13.42 +/- 2.64   1.039% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB3   PHE   60  14.48 +/- 2.36   0.869% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   PHE   60  14.57 +/- 2.62   0.862% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 624 (3.40, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.4:
    * O T HB2   PHE   60 - HB3   PHE   60   1.75 +/- 0.00  99.869% * 99.9010% (1.00  10.0 10.00   4.00  72.41) = 100.000%  kept
          HB2   TRP   87 - HB3   PHE   60  17.44 +/- 2.84   0.131% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 625 (2.97, 2.97, 40.02 ppm):
    1 diagonal assignment:
    *     HB3   PHE   60 - HB3   PHE   60  (1.00)  kept
 
    Peak 626 (3.74, 3.74, 54.57 ppm):
    1 diagonal assignment:
    *     HA    ALA   61 - HA    ALA   61  (1.00)  kept
 
    Peak 627 (1.43, 3.74, 54.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 17.9:
    * O T QB    ALA   61 - HA    ALA   61   2.13 +/- 0.02  85.202% * 98.4786% (1.00  10.0 10.00   2.21  17.90) =  99.987%  kept
        T QB    ALA  110 - HA    ALA   61  14.07 +/- 2.12   0.398% *  0.9091% (0.92   1.0 10.00   0.02   0.02) =   0.004%
          HB3   LEU   67 - HA    ALA   61   8.20 +/- 1.35   1.800% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - HA    ALA   61   8.27 +/- 1.25   2.028% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HA    ALA   61   8.06 +/- 3.27   4.905% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   73 - HA    ALA   61  10.13 +/- 1.98   1.239% *  0.0637% (0.65   1.0  1.00   0.02   0.12) =   0.001%
          HG    LEU   40 - HA    ALA   61  11.52 +/- 2.70   2.364% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - HA    ALA   61  13.11 +/- 2.95   0.524% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - HA    ALA   61  17.23 +/- 4.41   0.283% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   61  16.51 +/- 3.73   0.273% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA   61  11.95 +/- 1.49   0.575% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   61  15.20 +/- 2.36   0.320% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   61  22.87 +/- 3.22   0.088% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 628 (3.74, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 17.9:
    * O T HA    ALA   61 - QB    ALA   61   2.13 +/- 0.02  80.127% * 98.9510% (1.00  10.0 10.00   2.21  17.90) =  99.989%  kept
        T HA    ALA   61 - QB    ALA  110  14.07 +/- 2.12   0.374% *  0.7322% (0.74   1.0 10.00   0.02   0.02) =   0.003%
          HA    VAL   75 - QB    ALA   61   8.65 +/- 3.19  10.930% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.003%
          HD3   PRO   58 - QB    ALA   61   6.28 +/- 1.13   4.144% *  0.0444% (0.45   1.0  1.00   0.02   0.86) =   0.002%
          HD2   PRO   68 - QB    ALA   61  10.10 +/- 1.01   0.852% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   68 - QB    ALA  110  18.15 +/- 4.21   0.784% *  0.0693% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - QB    ALA  110  11.15 +/- 3.31   1.173% *  0.0328% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   61  12.80 +/- 3.01   1.224% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA  110  15.22 +/- 2.51   0.272% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA  110  19.45 +/- 2.14   0.119% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 629 (1.43, 1.43, 17.92 ppm):
    2 diagonal assignments:
    *     QB    ALA   61 - QB    ALA   61  (1.00)  kept
          QB    ALA  110 - QB    ALA  110  (0.68)  kept
 
    Peak 630 (4.22, 4.22, 57.45 ppm):
    1 diagonal assignment:
    *     HA    ASP-  62 - HA    ASP-  62  (1.00)  kept
 
    Peak 631 (2.65, 4.22, 57.45 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 41.0:
    * O T HB2   ASP-  62 - HA    ASP-  62   2.69 +/- 0.20  99.389% * 99.9434% (1.00  10.0 10.00   3.00  41.01) = 100.000%  kept
          HB2   PRO   52 - HA    ASP-  62  16.26 +/- 2.15   0.611% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 632 (2.45, 4.22, 57.45 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB3   ASP-  62 - HA    ASP-  62   2.93 +/- 0.17  97.945% * 99.7306% (0.98  10.0 10.00   3.00  41.01) =  99.998%  kept
          HG3   MET   96 - HA    ASP-  62  17.19 +/- 2.74   1.296% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HA    ASP-  62  22.90 +/- 3.25   0.280% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  62  23.52 +/- 2.99   0.223% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  62  23.03 +/- 3.09   0.257% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 633 (4.22, 2.65, 41.28 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 41.0:
    * O T HA    ASP-  62 - HB2   ASP-  62   2.69 +/- 0.20  96.149% * 99.8236% (1.00  10.0 10.00   3.00  41.01) =  99.997%  kept
          HA    SER  117 - HB2   ASP-  62  12.87 +/- 2.06   2.923% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   26 - HB2   ASP-  62  19.95 +/- 3.50   0.764% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   82 - HB2   ASP-  62  24.10 +/- 2.76   0.163% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 634 (2.65, 2.65, 41.28 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  62 - HB2   ASP-  62  (1.00)  kept
 
    Peak 635 (2.45, 2.65, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB3   ASP-  62 - HB2   ASP-  62   1.75 +/- 0.00  99.655% * 99.7306% (0.98  10.0 10.00   3.00  41.01) = 100.000%  kept
          HG3   MET   96 - HB2   ASP-  62  16.97 +/- 2.42   0.195% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   ASP-  62  23.24 +/- 2.77   0.053% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  62  24.81 +/- 3.03   0.042% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  62  24.48 +/- 3.61   0.055% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 636 (4.22, 2.45, 41.28 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HA    ASP-  62 - HB3   ASP-  62   2.93 +/- 0.17  92.586% * 99.8236% (0.98  10.0 10.00   3.00  41.01) =  99.995%  kept
          HA    SER  117 - HB3   ASP-  62  12.66 +/- 2.37   6.699% *  0.0565% (0.55   1.0  1.00   0.02   0.02) =   0.004%
          HB    THR   26 - HB3   ASP-  62  19.95 +/- 3.19   0.518% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   82 - HB3   ASP-  62  23.93 +/- 2.54   0.197% *  0.0278% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 637 (2.65, 2.45, 41.28 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB2   ASP-  62 - HB3   ASP-  62   1.75 +/- 0.00  99.761% * 99.4370% (0.98  10.0 10.00   3.00  41.01) =  99.999%  kept
        T HB2   PRO   52 - HB3   ASP-  62  14.57 +/- 2.48   0.239% *  0.5630% (0.55   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 638 (2.45, 2.45, 41.28 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  62 - HB3   ASP-  62  (0.96)  kept
 
    Peak 639 (3.50, 3.50, 57.67 ppm):
    1 diagonal assignment:
    *     HA    LEU   63 - HA    LEU   63  (1.00)  kept
 
    Peak 640 (1.34, 3.50, 57.67 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 240.5:
    * O T HB2   LEU   63 - HA    LEU   63   2.91 +/- 0.12  87.595% * 99.1997% (1.00  10.0 10.00   6.28 240.53) =  99.989%  kept
          HB3   ASP-  44 - HA    LEU   63   9.73 +/- 2.47   4.153% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.005%
          QB    ALA  124 - HA    LEU   63  13.89 +/- 3.15   1.235% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HA    LEU   63  13.70 +/- 2.69   1.137% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HA    LEU   63  18.45 +/- 3.57   0.820% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    LEU   63  18.32 +/- 3.13   0.678% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    LEU   63  16.97 +/- 2.94   0.587% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    LEU   63  16.24 +/- 1.59   0.579% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   63  18.97 +/- 2.53   0.390% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   63  18.38 +/- 4.21   0.527% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   63  15.92 +/- 3.06   1.381% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   63  19.30 +/- 2.50   0.433% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   63  18.66 +/- 2.49   0.485% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 641 (0.88, 3.50, 57.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 240.5:
    * O T HB3   LEU   63 - HA    LEU   63   2.52 +/- 0.23  78.814% * 99.7424% (1.00  10.0 10.00   5.98 240.53) =  99.986%  kept
          QG1   VAL   70 - HA    LEU   63   5.87 +/- 1.48  11.681% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.008%
          QG1   VAL   18 - HA    LEU   63   8.98 +/- 2.93   3.692% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU  123 - HA    LEU   63   8.92 +/- 2.65   4.088% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - HA    LEU   63  10.82 +/- 0.96   1.165% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HA    LEU   63  16.25 +/- 2.68   0.560% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 642 (1.06, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 240.5:
    * O T HG    LEU   63 - HA    LEU   63   2.95 +/- 0.63  89.167% * 99.8120% (1.00  10.0 10.00   5.98 240.53) =  99.992%  kept
          QG2   VAL   24 - HA    LEU   63  15.83 +/- 4.10   6.257% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.007%
          HG3   LYS+ 112 - HA    LEU   63  14.71 +/- 2.77   1.297% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HA    LEU   63  11.18 +/- 2.10   3.279% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.52 A violated in 0 structures by 0.06 A, kept.
 
    Peak 643 (0.58, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.787, support = 5.65, residual support = 240.4:
    *   T QD1   LEU   63 - HA    LEU   63   3.55 +/- 0.63  34.816% * 63.1462% (1.00 10.00   5.66 240.53) =  50.849%  kept
        T QD2   LEU   63 - HA    LEU   63   2.77 +/- 0.52  59.400% * 35.7505% (0.57 10.00   5.64 240.53) =  49.117%  kept
        T QD1   LEU   73 - HA    LEU   63  11.69 +/- 1.75   1.353% *  0.6315% (1.00 10.00   0.02   0.02) =   0.020%
        T QD1   LEU  104 - HA    LEU   63  12.87 +/- 3.60   1.314% *  0.3575% (0.57 10.00   0.02   0.02) =   0.011%
          QD2   LEU  115 - HA    LEU   63   8.73 +/- 1.32   2.456% *  0.0527% (0.84  1.00   0.02   0.02) =   0.003%
          QD2   LEU   80 - HA    LEU   63  16.31 +/- 2.26   0.382% *  0.0506% (0.80  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   63  17.02 +/- 1.85   0.279% *  0.0111% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.07 A, kept.
 
    Peak 644 (0.57, 3.50, 57.67 ppm):
    8 chemical-shift based assignments, quality = 0.892, support = 5.65, residual support = 240.5:
    *   T QD2   LEU   63 - HA    LEU   63   2.77 +/- 0.52  59.141% * 63.5438% (1.00 10.00   5.64 240.53) =  75.078%  kept
        T QD1   LEU   63 - HA    LEU   63   3.55 +/- 0.63  34.658% * 35.9756% (0.57 10.00   5.66 240.53) =  24.910%  kept
        T QD1   LEU   73 - HA    LEU   63  11.69 +/- 1.75   1.347% *  0.3598% (0.57 10.00   0.02   0.02) =   0.010%
          QD2   LEU  115 - HA    LEU   63   8.73 +/- 1.32   2.445% *  0.0158% (0.25  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HA    LEU   63  11.75 +/- 1.30   0.916% *  0.0385% (0.61  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HA    LEU   63  14.40 +/- 2.43   0.732% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    LEU   63  16.64 +/- 3.00   0.380% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  16.31 +/- 2.26   0.380% *  0.0141% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.07 A, kept.
 
    Peak 645 (3.50, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 240.4:
    * O T HA    LEU   63 - HB2   LEU   63   2.91 +/- 0.12  93.781% * 99.2046% (1.00  10.0 10.00   6.28 240.53) =  99.952%  kept
        T HB2   HIS   22 - HB2   LEU   63  16.50 +/- 4.17   5.926% *  0.7581% (0.76   1.0 10.00   0.02   0.02) =   0.048%
          HA2   GLY  101 - HB2   LEU   63  21.10 +/- 2.68   0.293% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 646 (1.34, 1.34, 41.55 ppm):
    1 diagonal assignment:
    *     HB2   LEU   63 - HB2   LEU   63  (1.00)  kept
 
    Peak 647 (0.88, 1.34, 41.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 240.5:
    * O T HB3   LEU   63 - HB2   LEU   63   1.75 +/- 0.00  90.265% * 99.7424% (1.00  10.0 10.00   6.31 240.53) =  99.994%  kept
          QG1   VAL   70 - HB2   LEU   63   5.93 +/- 1.57   5.125% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   18 - HB2   LEU   63   8.32 +/- 3.08   2.097% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HB2   LEU   63   9.36 +/- 2.51   1.792% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HB2   LEU   63  15.04 +/- 2.49   0.284% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU   63  10.69 +/- 1.05   0.436% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 648 (1.06, 1.34, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 240.5:
    * O T HG    LEU   63 - HB2   LEU   63   2.61 +/- 0.20  93.453% * 99.8120% (1.00  10.0 10.00   6.31 240.53) =  99.995%  kept
          QG2   VAL   24 - HB2   LEU   63  14.86 +/- 3.20   3.372% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 112 - HB2   LEU   63  13.95 +/- 2.70   1.003% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HB2   LEU   63  10.15 +/- 1.81   2.172% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 649 (0.58, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.917, support = 6.19, residual support = 239.8:
    * O T QD1   LEU   63 - HB2   LEU   63   2.22 +/- 0.29  66.636% * 59.0951% (1.00  10.0 10.00   6.21 240.53) =  80.710%  kept
      O T QD2   LEU   63 - HB2   LEU   63   3.08 +/- 0.17  27.705% * 33.4569% (0.57  10.0 10.00   6.18 240.53) =  18.998%  kept
        T QD1   LEU   73 - HB2   LEU   63  10.37 +/- 2.13   1.971% *  7.0064% (1.00   1.0 10.00   0.24   0.02) =   0.283%  kept
        T QD1   LEU  104 - HB2   LEU   63  12.09 +/- 3.19   0.936% *  0.3346% (0.57   1.0 10.00   0.02   0.02) =   0.006%
          QD2   LEU  115 - HB2   LEU   63   7.86 +/- 1.63   2.207% *  0.0494% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - HB2   LEU   63  15.22 +/- 2.82   0.304% *  0.0473% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   63  15.74 +/- 2.13   0.242% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 650 (0.57, 1.34, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.749, support = 6.19, residual support = 240.0:
      O T QD1   LEU   63 - HB2   LEU   63   2.22 +/- 0.29  66.417% * 34.6234% (0.57  10.0 10.00   6.21 240.53) =  57.541%  kept
    * O T QD2   LEU   63 - HB2   LEU   63   3.08 +/- 0.17  27.613% * 61.1554% (1.00  10.0 10.00   6.18 240.53) =  42.255%  kept
        T QD1   LEU   73 - HB2   LEU   63  10.37 +/- 2.13   1.964% *  4.1050% (0.57   1.0 10.00   0.24   0.02) =   0.202%  kept
          QD2   LEU  115 - HB2   LEU   63   7.86 +/- 1.63   2.199% *  0.0152% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HB2   LEU   63  10.67 +/- 1.22   0.711% *  0.0371% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB2   LEU   63  13.13 +/- 2.29   0.413% *  0.0251% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   LEU   63  15.49 +/- 3.61   0.379% *  0.0251% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  15.22 +/- 2.82   0.303% *  0.0136% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 651 (3.50, 0.88, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 240.5:
    * O T HA    LEU   63 - HB3   LEU   63   2.52 +/- 0.23  92.962% * 99.8862% (1.00  10.0 10.00   5.98 240.53) =  99.994%  kept
          HB2   HIS   22 - HB3   LEU   63  16.93 +/- 4.33   6.824% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.006%
          HA2   GLY  101 - HB3   LEU   63  20.86 +/- 3.31   0.214% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 652 (1.34, 0.88, 41.55 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 240.5:
    * O T HB2   LEU   63 - HB3   LEU   63   1.75 +/- 0.00  94.585% * 99.1997% (1.00  10.0 10.00   6.31 240.53) =  99.996%  kept
          HB3   ASP-  44 - HB3   LEU   63   8.50 +/- 2.72   2.836% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA  124 - HB3   LEU   63  14.35 +/- 3.18   0.278% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   63  12.97 +/- 2.69   0.345% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LEU   63  17.20 +/- 3.38   0.218% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LEU   63  15.45 +/- 3.18   0.201% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   63  18.00 +/- 3.27   0.128% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   63  17.86 +/- 2.96   0.149% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   63  15.35 +/- 1.80   0.167% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LEU   63  14.48 +/- 3.26   0.716% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   63  17.09 +/- 4.16   0.152% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   63  18.19 +/- 2.28   0.105% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   63  17.61 +/- 2.29   0.122% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 653 (0.88, 0.88, 41.55 ppm):
    1 diagonal assignment:
    *     HB3   LEU   63 - HB3   LEU   63  (1.00)  kept
 
    Peak 654 (1.06, 0.88, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 240.5:
    * O T HG    LEU   63 - HB3   LEU   63   2.89 +/- 0.20  92.785% * 99.8120% (1.00  10.0 10.00   6.00 240.53) =  99.995%  kept
          QG2   VAL   24 - HB3   LEU   63  15.13 +/- 3.29   2.732% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 112 - HB3   LEU   63  14.72 +/- 3.02   1.424% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HB3   LEU   63  10.44 +/- 1.99   3.059% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 655 (0.58, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.782, support = 5.87, residual support = 239.5:
      O T QD2   LEU   63 - HB3   LEU   63   2.20 +/- 0.17  61.266% * 31.0169% (0.57  10.0 10.00   5.88 240.53) =  50.204%  kept
    * O T QD1   LEU   63 - HB3   LEU   63   2.76 +/- 0.25  34.116% * 54.7852% (1.00  10.0 10.00   5.92 240.53) =  49.378%  kept
        T QD1   LEU   73 - HB3   LEU   63  10.68 +/- 2.11   1.107% * 13.7886% (1.00   1.0 10.00   0.50   0.02) =   0.403%  kept
        T QD1   LEU  104 - HB3   LEU   63  11.81 +/- 3.43   1.597% *  0.3102% (0.57   1.0 10.00   0.02   0.02) =   0.013%
          QD2   LEU  115 - HB3   LEU   63   8.54 +/- 1.61   1.440% *  0.0458% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - HB3   LEU   63  15.54 +/- 2.97   0.271% *  0.0439% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   63  16.02 +/- 2.47   0.204% *  0.0096% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 656 (0.57, 0.88, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.895, support = 5.88, residual support = 240.1:
    * O T QD2   LEU   63 - HB3   LEU   63   2.20 +/- 0.17  61.462% * 58.4608% (1.00  10.0 10.00   5.88 240.53) =  75.877%  kept
      O T QD1   LEU   63 - HB3   LEU   63   2.76 +/- 0.25  34.232% * 33.0978% (0.57  10.0 10.00   5.92 240.53) =  23.926%  kept
        T QD1   LEU   73 - HB3   LEU   63  10.68 +/- 2.11   1.110% *  8.3302% (0.57   1.0 10.00   0.50   0.02) =   0.195%  kept
          QG2   VAL   41 - HB3   LEU   63  10.51 +/- 1.62   0.757% *  0.0355% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB3   LEU   63   8.54 +/- 1.61   1.444% *  0.0146% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   63  13.12 +/- 2.73   0.433% *  0.0240% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   63  15.89 +/- 3.69   0.290% *  0.0240% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  15.54 +/- 2.97   0.272% *  0.0130% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 657 (3.50, 1.06, 26.21 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 240.5:
    * O T HA    LEU   63 - HG    LEU   63   2.95 +/- 0.63  97.586% * 99.8862% (1.00  10.0 10.00   5.98 240.53) =  99.998%  kept
          HB2   HIS   22 - HG    LEU   63  17.49 +/- 4.51   1.956% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HA2   GLY  101 - HG    LEU   63  21.37 +/- 3.11   0.459% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 658 (1.34, 1.06, 26.21 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 240.5:
    * O T HB2   LEU   63 - HG    LEU   63   2.61 +/- 0.20  87.148% * 99.1997% (1.00  10.0 10.00   6.31 240.53) =  99.989%  kept
          HB3   ASP-  44 - HG    LEU   63   8.78 +/- 2.54   4.989% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.006%
          HB3   PRO   93 - HG    LEU   63  12.62 +/- 2.83   1.179% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HG    LEU   63  17.97 +/- 3.67   0.810% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HG    LEU   63  14.14 +/- 2.78   0.792% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HG    LEU   63  17.16 +/- 3.48   0.696% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HG    LEU   63  15.79 +/- 3.26   0.645% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HG    LEU   63  18.23 +/- 2.96   0.334% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   63  15.47 +/- 1.58   0.471% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   63  17.54 +/- 4.28   0.487% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG    LEU   63  14.52 +/- 3.15   1.540% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   63  19.09 +/- 3.34   0.502% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   63  17.72 +/- 2.48   0.405% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 659 (0.88, 1.06, 26.21 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 240.5:
    * O T HB3   LEU   63 - HG    LEU   63   2.89 +/- 0.20  69.347% * 99.7424% (1.00  10.0 10.00   6.00 240.53) =  99.976%  kept
          QG1   VAL   70 - HG    LEU   63   6.03 +/- 1.94  19.946% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.016%
          QG1   VAL   18 - HG    LEU   63   9.03 +/- 2.77   3.739% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU  123 - HG    LEU   63   8.94 +/- 2.55   4.556% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL  108 - HG    LEU   63  15.07 +/- 2.88   1.121% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HG    LEU   63  11.19 +/- 1.15   1.292% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 660 (1.06, 1.06, 26.21 ppm):
    1 diagonal assignment:
    *     HG    LEU   63 - HG    LEU   63  (1.00)  kept
 
    Peak 661 (0.58, 1.06, 26.21 ppm):
    7 chemical-shift based assignments, quality = 0.843, support = 5.63, residual support = 240.5:
    * O T QD1   LEU   63 - HG    LEU   63   2.11 +/- 0.02  48.191% * 63.0834% (1.00  10.0 10.00   5.64 240.53) =  63.817%  kept
      O T QD2   LEU   63 - HG    LEU   63   2.11 +/- 0.02  48.240% * 35.7149% (0.57  10.0 10.00   5.62 240.53) =  36.167%  kept
        T QD1   LEU   73 - HG    LEU   63  11.40 +/- 2.25   0.662% *  0.6308% (1.00   1.0 10.00   0.02   0.02) =   0.009%
        T QD1   LEU  104 - HG    LEU   63  12.12 +/- 3.56   0.584% *  0.3571% (0.57   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU  115 - HG    LEU   63   7.71 +/- 1.98   2.058% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T QG1   VAL   83 - HG    LEU   63  16.35 +/- 1.71   0.115% *  0.1105% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  15.82 +/- 2.74   0.149% *  0.0505% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 662 (0.57, 1.06, 26.21 ppm):
    8 chemical-shift based assignments, quality = 0.843, support = 5.63, residual support = 240.5:
    * O T QD2   LEU   63 - HG    LEU   63   2.11 +/- 0.02  48.161% * 63.5438% (1.00  10.0 10.00   5.62 240.53) =  63.870%  kept
      O T QD1   LEU   63 - HG    LEU   63   2.11 +/- 0.02  48.112% * 35.9756% (0.57  10.0 10.00   5.64 240.53) =  36.124%  kept
        T QD1   LEU   73 - HG    LEU   63  11.40 +/- 2.25   0.661% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          QD2   LEU  115 - HG    LEU   63   7.71 +/- 1.98   2.055% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HG    LEU   63  11.17 +/- 1.43   0.402% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HG    LEU   63  13.46 +/- 2.68   0.304% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HG    LEU   63  16.10 +/- 3.24   0.156% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  15.82 +/- 2.74   0.148% *  0.0141% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 663 (3.50, 0.58, 26.34 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.63, residual support = 239.0:
    *   T HA    LEU   63 - QD1   LEU   63   3.55 +/- 0.63  66.092% * 94.9079% (1.00 10.00   5.66 240.53) =  99.350%  kept
          HB2   HIS   22 - QD1   LEU   73   8.05 +/- 1.63   9.788% *  3.7404% (0.76  1.00   1.03   0.02) =   0.580%  kept
        T HA    LEU   63 - QD1   LEU   73  11.69 +/- 1.75   2.541% *  0.9491% (1.00 10.00   0.02   0.02) =   0.038%
        T HA    LEU   63 - QD1   LEU  104  12.87 +/- 3.60   6.925% *  0.2323% (0.24 10.00   0.02   0.02) =   0.025%
          HB2   HIS   22 - QD1   LEU   63  14.50 +/- 3.60   3.125% *  0.0725% (0.76  1.00   0.02   0.02) =   0.004%
          HA2   GLY  101 - QD1   LEU  104   7.83 +/- 0.76   7.650% *  0.0087% (0.09  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - QD1   LEU   73  14.56 +/- 3.18   1.842% *  0.0356% (0.38  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - QD1   LEU   63  17.26 +/- 2.80   0.809% *  0.0356% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU  104  18.11 +/- 4.54   1.227% *  0.0178% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.02 A, kept.
 
    Peak 664 (1.34, 0.58, 26.34 ppm):
    39 chemical-shift based assignments, quality = 0.995, support = 6.15, residual support = 237.6:
    * O T HB2   LEU   63 - QD1   LEU   63   2.22 +/- 0.29  44.893% * 78.6942% (1.00  10.0 10.00   6.21 240.53) =  98.765%  kept
          HB2   LEU   31 - QD1   LEU   73   7.37 +/- 2.62   2.434% *  6.8532% (0.90   1.0  1.00   1.94   1.88) =   0.466%  kept
          HG2   LYS+  99 - QD1   LEU  104   4.19 +/- 0.87  11.131% *  1.0213% (0.14   1.0  1.00   1.87  18.67) =   0.318%  kept
        T HB2   LEU   63 - QD1   LEU   73  10.37 +/- 2.13   0.919% *  9.3301% (1.00   1.0 10.00   0.24   0.02) =   0.240%  kept
          HG    LEU   98 - QD1   LEU  104   5.92 +/- 1.29   3.955% *  0.9668% (0.20   1.0  1.00   1.25  11.02) =   0.107%  kept
        T HB3   LEU   80 - QD1   LEU   73  10.75 +/- 3.37   2.135% *  0.7714% (0.98   1.0 10.00   0.02   0.02) =   0.046%
          HB3   PRO   93 - QD1   LEU   73  13.27 +/- 3.32  10.528% *  0.0509% (0.65   1.0  1.00   0.02   0.02) =   0.015%
          HB3   ASP-  44 - QD1   LEU   63   6.77 +/- 2.75   5.607% *  0.0771% (0.98   1.0  1.00   0.02   0.02) =   0.012%
          HG3   LYS+ 106 - QD1   LEU   63  11.31 +/- 2.96   4.142% *  0.0672% (0.15   1.0  1.00   0.11   0.02) =   0.008%
        T HB3   LEU   80 - QD1   LEU   63  14.90 +/- 2.82   0.204% *  0.7714% (0.98   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   LEU   63 - QD1   LEU  104  12.09 +/- 3.19   0.631% *  0.1926% (0.24   1.0 10.00   0.02   0.02) =   0.003%
          HB3   ASP-  44 - QD1   LEU   73   8.54 +/- 1.79   1.354% *  0.0771% (0.98   1.0  1.00   0.02   2.88) =   0.003%
          HG    LEU   98 - QD1   LEU   73  10.48 +/- 3.23   0.893% *  0.0630% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   84 - QD1   LEU   73  10.33 +/- 1.60   1.034% *  0.0541% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - QD1   LEU   63   9.92 +/- 2.43   0.824% *  0.0509% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD1   LEU   63  11.88 +/- 2.38   0.499% *  0.0706% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD1   LEU   63  14.33 +/- 3.35   0.422% *  0.0706% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD1   LEU   63  12.56 +/- 3.07   0.433% *  0.0630% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   80 - QD1   LEU  104  17.12 +/- 3.26   0.123% *  0.1888% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - QD1   LEU   63  13.65 +/- 2.91   0.314% *  0.0657% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD1   LEU   73  13.39 +/- 3.63   0.427% *  0.0446% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   63  12.50 +/- 1.36   0.300% *  0.0541% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   73  12.89 +/- 2.28   0.385% *  0.0353% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   63  14.25 +/- 3.54   0.292% *  0.0446% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU  104  12.38 +/- 3.61   0.703% *  0.0173% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  17.68 +/- 3.36   0.135% *  0.0706% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   63  15.58 +/- 3.12   0.261% *  0.0353% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   73  19.12 +/- 3.70   0.112% *  0.0657% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU  104  12.50 +/- 2.36   0.388% *  0.0189% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  15.14 +/- 6.05   0.404% *  0.0173% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   73  12.43 +/- 1.51   0.433% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  12.26 +/- 2.77   0.478% *  0.0121% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  13.93 +/- 2.51   0.376% *  0.0132% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.36 +/- 0.88   1.586% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   63  14.26 +/- 1.87   0.253% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU  104  13.06 +/- 5.13   0.393% *  0.0086% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU  104  17.33 +/- 2.81   0.129% *  0.0161% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.53 +/- 1.39   0.148% *  0.0125% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU  104  13.09 +/- 1.93   0.323% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.02 A, kept.
 
    Peak 665 (0.88, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 0.997, support = 5.82, residual support = 235.8:
    * O T HB3   LEU   63 - QD1   LEU   63   2.76 +/- 0.25  44.584% * 76.5423% (1.00  10.0 10.00   5.92 240.53) =  98.035%  kept
        T HB3   LEU   63 - QD1   LEU   73  10.68 +/- 2.11   2.194% * 19.2645% (1.00   1.0 10.00   0.50   0.02) =   1.214%  kept
          QG1   VAL   18 - QD1   LEU   73   6.49 +/- 2.33   6.732% *  3.6148% (0.69   1.0  1.00   1.38   0.75) =   0.699%  kept
          QG1   VAL   70 - QD1   LEU   63   5.13 +/- 1.63  16.086% *  0.0433% (0.57   1.0  1.00   0.02   0.02) =   0.020%
        T HB3   LEU   63 - QD1   LEU  104  11.81 +/- 3.43   1.786% *  0.1874% (0.24   1.0 10.00   0.02   0.02) =   0.010%
          QD1   LEU  123 - QD1   LEU   63   7.45 +/- 2.37   6.877% *  0.0261% (0.34   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL   18 - QD1   LEU   63   7.63 +/- 2.15   3.238% *  0.0526% (0.69   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL  108 - QD1   LEU   63  11.93 +/- 2.75   1.934% *  0.0495% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   70 - QD1   LEU   73   9.10 +/- 0.98   1.650% *  0.0433% (0.57   1.0  1.00   0.02   0.75) =   0.002%
          QG1   VAL   70 - QD1   LEU  104   9.20 +/- 4.09   5.267% *  0.0106% (0.14   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - QD1   LEU   73   8.30 +/- 0.80   1.970% *  0.0261% (0.34   1.0  1.00   0.02   1.76) =   0.001%
          QG1   VAL   18 - QD1   LEU  104  11.50 +/- 3.03   2.306% *  0.0129% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - QD1   LEU   73  13.94 +/- 2.59   0.591% *  0.0495% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QD1   LEU   63   9.59 +/- 1.07   1.098% *  0.0261% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QD1   LEU   73  14.18 +/- 3.21   0.737% *  0.0261% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QD1   LEU  104  11.25 +/- 3.44   1.218% *  0.0064% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104  12.68 +/- 5.00   1.191% *  0.0064% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU  104  12.12 +/- 0.62   0.542% *  0.0121% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.03 A, kept.
 
    Peak 666 (1.06, 0.58, 26.34 ppm):
    12 chemical-shift based assignments, quality = 0.996, support = 5.37, residual support = 226.7:
    * O T HG    LEU   63 - QD1   LEU   63   2.11 +/- 0.02  66.257% * 55.3785% (1.00  10.0 10.00   5.64 240.53) =  94.196%  kept
        T QG2   VAL   24 - QD1   LEU   73   5.98 +/- 1.93   5.655% * 31.9471% (0.97   1.0 10.00   1.20   1.87) =   4.638%  kept
        T QG2   VAL   24 - QD1   LEU   63  12.45 +/- 3.21   3.740% *  9.5381% (0.97   1.0 10.00   0.36   0.02) =   0.916%  kept
        T QG1   VAL  107 - QD1   LEU   63   7.77 +/- 2.28   3.280% *  2.1148% (0.15   1.0 10.00   0.49   0.02) =   0.178%  kept
        T QG2   VAL   24 - QD1   LEU  104  12.56 +/- 4.03  14.510% *  0.1308% (0.24   1.0 10.00   0.02   0.02) =   0.049%
        T HG    LEU   63 - QD1   LEU   73  11.40 +/- 2.25   0.918% *  0.5538% (1.00   1.0 10.00   0.02   0.02) =   0.013%
        T QG1   VAL  107 - QD1   LEU   73  11.87 +/- 3.24   2.136% *  0.0854% (0.15   1.0 10.00   0.02   0.02) =   0.005%
        T HG    LEU   63 - QD1   LEU  104  12.12 +/- 3.56   0.833% *  0.1356% (0.24   1.0 10.00   0.02   0.02) =   0.003%
          HG3   LYS+ 112 - QD1   LEU   63  11.04 +/- 2.54   1.204% *  0.0423% (0.76   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   VAL  107 - QD1   LEU  104   8.94 +/- 1.13   1.024% *  0.0209% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QD1   LEU   73  17.96 +/- 4.28   0.315% *  0.0423% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  17.54 +/- 2.26   0.129% *  0.0104% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 667 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
          QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
    *     QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 668 (0.57, 0.58, 26.34 ppm):
    2 diagonal assignments:
          QD1   LEU   73 - QD1   LEU   73  (0.57)  kept
          QD1   LEU   63 - QD1   LEU   63  (0.57)  kept
    Reference assignment not found: QD2   LEU   63 - QD1   LEU   63
 
    Peak 669 (3.50, 0.57, 23.00 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 5.63, residual support = 239.9:
    *   T HA    LEU   63 - QD2   LEU   63   2.77 +/- 0.52  87.882% * 98.0462% (1.00 10.00   5.64 240.53) =  99.746%  kept
          HB2   HIS   22 - QD2   LEU   63  14.86 +/- 3.94  11.428% *  1.9170% (0.76  1.00   0.51   0.02) =   0.254%  kept
          HA2   GLY  101 - QD2   LEU   63  17.30 +/- 3.33   0.690% *  0.0368% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.19 A, kept.
 
    Peak 670 (1.34, 0.57, 23.00 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.17, residual support = 240.4:
    * O T HB2   LEU   63 - QD2   LEU   63   3.08 +/- 0.17  66.473% * 98.3391% (1.00  10.0 10.00   6.18 240.53) =  99.954%  kept
          HB3   ASP-  44 - QD2   LEU   63   7.58 +/- 2.14  13.761% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.020%
        T HB3   LEU   80 - QD2   LEU   63  15.35 +/- 2.64   0.698% *  0.9639% (0.98   1.0 10.00   0.02   0.02) =   0.010%
          QB    ALA  124 - QD2   LEU   63  11.61 +/- 2.87   1.979% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HG2   LYS+ 111 - QD2   LEU   63  14.41 +/- 3.28   1.926% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - QD2   LEU   63  10.88 +/- 2.50   2.430% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - QD2   LEU   63  12.75 +/- 3.22   1.646% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - QD2   LEU   63  14.71 +/- 3.33   1.266% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - QD2   LEU   63  11.75 +/- 3.30   5.883% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD2   LEU   63  14.06 +/- 4.09   1.258% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD2   LEU   63  12.98 +/- 1.53   1.001% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - QD2   LEU   63  15.41 +/- 2.64   0.723% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   63  14.70 +/- 2.22   0.956% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 671 (0.88, 0.57, 23.00 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.87, residual support = 240.5:
    * O T HB3   LEU   63 - QD2   LEU   63   2.20 +/- 0.17  66.648% * 99.7424% (1.00  10.0 10.00   5.88 240.53) =  99.973%  kept
          QG1   VAL   70 - QD2   LEU   63   4.53 +/- 1.60  24.146% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.021%
          QD1   LEU  123 - QD2   LEU   63   7.51 +/- 2.65   4.929% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   18 - QD2   LEU   63   7.58 +/- 2.39   2.293% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL  108 - QD2   LEU   63  12.46 +/- 2.83   1.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QD2   LEU   63   9.11 +/- 1.16   0.983% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 672 (1.06, 0.57, 23.00 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 5.61, residual support = 240.3:
    * O T HG    LEU   63 - QD2   LEU   63   2.11 +/- 0.02  91.602% * 95.7762% (1.00  10.0 10.00   5.62 240.53) =  99.901%  kept
        T QG2   VAL   24 - QD2   LEU   63  13.08 +/- 2.92   1.961% *  4.0028% (0.97   1.0 10.00   0.09   0.02) =   0.089%
        T QG1   VAL  107 - QD2   LEU   63   8.29 +/- 2.41   4.753% *  0.1478% (0.15   1.0 10.00   0.02   0.02) =   0.008%
          HG3   LYS+ 112 - QD2   LEU   63  12.00 +/- 2.73   1.684% *  0.0732% (0.76   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 673 (0.58, 0.57, 23.00 ppm):
    1 diagonal assignment:
          QD2   LEU   63 - QD2   LEU   63  (0.57)  kept
    Reference assignment not found: QD1   LEU   63 - QD2   LEU   63
 
    Peak 674 (0.57, 0.57, 23.00 ppm):
    1 diagonal assignment:
    *     QD2   LEU   63 - QD2   LEU   63  (1.00)  kept
 
    Peak 675 (2.84, 2.84, 53.98 ppm):
    1 diagonal assignment:
    *     HA    ALA   64 - HA    ALA   64  (1.00)  kept
 
    Peak 676 (0.40, 2.84, 53.98 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 20.8:
    * O T QB    ALA   64 - HA    ALA   64   2.12 +/- 0.01  99.638% * 99.9825% (1.00  10.0 10.00   2.00  20.77) = 100.000%  kept
          QB    ALA   47 - HA    ALA   64  14.56 +/- 1.75   0.362% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 677 (2.84, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.964, support = 2.07, residual support = 22.3:
    * O T HA    ALA   64 - QB    ALA   64   2.12 +/- 0.01  85.483% * 72.6945% (1.00  10.0 10.00   2.00  20.77) =  94.191%  kept
        T HB2   PHE   72 - QB    ALA   64   4.26 +/- 0.61  14.046% * 27.2831% (0.38   1.0 10.00   3.28  46.98) =   5.809%  kept
          HB3   ASN   35 - QB    ALA   64  14.27 +/- 2.19   0.472% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 678 (0.40, 0.40, 18.57 ppm):
    1 diagonal assignment:
    *     QB    ALA   64 - QB    ALA   64  (1.00)  kept
 
    Peak 679 (3.96, 3.96, 58.29 ppm):
    2 diagonal assignments:
    *     HA    LYS+  65 - HA    LYS+  65  (0.85)  kept
          HA    LYS+ 121 - HA    LYS+ 121  (0.06)  kept
 
    Peak 680 (1.80, 3.96, 58.29 ppm):
    16 chemical-shift based assignments, quality = 0.917, support = 6.55, residual support = 157.8:
    * O T QB    LYS+  65 - HA    LYS+  65   2.36 +/- 0.17  80.749% * 85.9391% (0.92  10.0 10.00   6.56 159.74) =  98.522%  kept
          QB    LYS+  66 - HA    LYS+  65   5.25 +/- 0.16   7.632% * 13.5716% (0.52   1.0  1.00   5.58  30.70) =   1.470%  kept
          HB3   GLN   17 - HA    LYS+  65  11.61 +/- 5.93   5.866% *  0.0521% (0.56   1.0  1.00   0.02   0.02) =   0.004%
          HB2   LEU   71 - HA    LYS+  65  10.75 +/- 1.89   1.323% *  0.0857% (0.92   1.0  1.00   0.02   0.02) =   0.002%
        T QB    LYS+  65 - HA    LYS+ 121  15.29 +/- 2.47   0.623% *  0.0970% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HA    LYS+  65  13.97 +/- 2.35   0.578% *  0.0323% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  65  18.30 +/- 2.98   0.237% *  0.0718% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  65  21.49 +/- 3.15   0.132% *  0.0842% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 121  14.12 +/- 3.93   1.137% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  65  19.97 +/- 3.14   0.180% *  0.0214% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+ 121  18.67 +/- 7.09   0.355% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 121  19.84 +/- 4.28   0.198% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 121  19.22 +/- 2.95   0.218% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 121  22.09 +/- 5.46   0.200% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+ 121  18.79 +/- 4.95   0.277% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+ 121  18.99 +/- 6.34   0.297% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 682 (1.50, 3.96, 58.29 ppm):
    20 chemical-shift based assignments, quality = 0.832, support = 5.61, residual support = 161.1:
    * O T HG2   LYS+  65 - HA    LYS+  65   3.09 +/- 0.75  29.447% * 53.0514% (0.92  10.0 10.00   5.39 159.74) =  83.219%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.06 +/- 0.72   4.193% * 38.5232% (0.67   1.0 10.00   5.56  30.70) =   8.604%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.94 +/- 0.50  15.561% *  5.9339% (0.10   1.0 10.00   7.76 313.10) =   4.919%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.53 +/- 0.23  40.606% *  1.4928% (0.03  10.0 10.00   8.21 313.10) =   3.229%  kept
        T HD3   LYS+  74 - HA    LYS+  65   9.51 +/- 3.96   2.488% *  0.0819% (0.14   1.0 10.00   0.02   0.02) =   0.011%
          HB2   LYS+  74 - HA    LYS+  65   9.00 +/- 3.20   3.057% *  0.0443% (0.77   1.0  1.00   0.02   0.02) =   0.007%
        T HD2   LYS+ 121 - HA    LYS+  65  16.67 +/- 2.82   0.216% *  0.5258% (0.91   1.0 10.00   0.02   0.02) =   0.006%
        T HB3   LYS+ 121 - HA    LYS+  65  17.47 +/- 2.99   0.204% *  0.1323% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  66 - HA    LYS+ 121  15.52 +/- 4.51   0.514% *  0.0435% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    LYS+  65  13.45 +/- 1.62   0.314% *  0.0526% (0.91   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HA    LYS+ 121  18.51 +/- 2.66   0.152% *  0.0599% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  19.39 +/- 5.08   0.904% *  0.0092% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.48 +/- 1.89   0.303% *  0.0118% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  19.33 +/- 3.64   0.171% *  0.0132% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  19.35 +/- 4.55   0.441% *  0.0050% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  16.39 +/- 8.42   0.638% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  21.16 +/- 4.56   0.153% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.60 +/- 2.60   0.095% *  0.0093% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  17.76 +/- 6.67   0.363% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  16.46 +/- 1.63   0.180% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 683 (1.38, 3.96, 58.29 ppm):
    28 chemical-shift based assignments, quality = 0.915, support = 5.38, residual support = 161.1:
    * O T HG3   LYS+  65 - HA    LYS+  65   2.97 +/- 0.60  52.501% * 94.0974% (0.92  10.0 10.00   5.37 159.74) =  99.050%  kept
        T HD3   LYS+ 121 - HA    LYS+ 121   4.42 +/- 0.65  21.584% *  2.1015% (0.02   1.0 10.00   6.68 313.10) =   0.909%  kept
          HB    VAL   42 - HA    LYS+  65  11.06 +/- 2.21   4.467% *  0.0941% (0.92   1.0  1.00   0.02   0.02) =   0.008%
        T HG3   LYS+ 106 - HA    LYS+  65  19.08 +/- 3.09   0.510% *  0.8162% (0.80   1.0 10.00   0.02   0.02) =   0.008%
        T HG3   LYS+  33 - HA    LYS+  65  17.09 +/- 2.45   0.353% *  0.9326% (0.91   1.0 10.00   0.02   0.02) =   0.007%
          HB3   LYS+  74 - HA    LYS+  65   9.63 +/- 2.99   8.953% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 102 - HA    LYS+  65  25.30 +/- 3.75   0.148% *  0.9223% (0.90   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LEU   73 - HA    LYS+  65  11.10 +/- 1.59   1.438% *  0.0933% (0.91   1.0  1.00   0.02   0.02) =   0.003%
        T HD3   LYS+ 121 - HA    LYS+  65  17.49 +/- 2.95   0.344% *  0.1862% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - HA    LYS+ 121  16.49 +/- 5.72   0.688% *  0.0921% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - HA    LYS+ 121  18.49 +/- 2.89   0.340% *  0.1062% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    LYS+  65  18.22 +/- 2.74   0.395% *  0.0890% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 102 - HA    LYS+ 121  22.71 +/- 7.37   0.299% *  0.1041% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    LYS+  65  17.77 +/- 3.96   0.371% *  0.0683% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HA    LYS+  65  16.17 +/- 2.70   0.846% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  16.84 +/- 2.59   0.520% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  24.50 +/- 4.80   0.190% *  0.1052% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  65  16.43 +/- 2.66   0.721% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  15.80 +/- 4.46   0.983% *  0.0106% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  65  18.93 +/- 3.16   0.558% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 121  15.70 +/- 0.87   0.433% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.07 +/- 4.17   0.396% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  19.34 +/- 4.80   1.184% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  16.85 +/- 5.42   0.566% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  25.19 +/- 6.42   0.221% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 121  17.63 +/- 2.81   0.405% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 121  19.23 +/- 6.04   0.385% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 121  21.13 +/- 2.50   0.199% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.02 A, kept.
 
    Peak 684 (1.66, 3.96, 58.29 ppm):
    22 chemical-shift based assignments, quality = 0.801, support = 5.33, residual support = 181.4:
    *   T QD    LYS+  65 - HA    LYS+  65   3.52 +/- 0.54  31.362% * 85.6762% (0.92   1.0 10.00   4.85 159.74) =  85.109%  kept
      O T HB2   LYS+ 121 - HA    LYS+ 121   2.95 +/- 0.12  47.448% *  9.6472% (0.10  10.0 10.00   8.30 313.10) =  14.499%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.56 +/- 0.62   7.822% *  1.4173% (0.04   1.0 10.00   0.86   2.32) =   0.351%  kept
        T QD    LYS+  38 - HA    LYS+  65  18.01 +/- 3.02   0.422% *  0.7909% (0.85   1.0 10.00   0.02   0.02) =   0.011%
          HD2   LYS+  74 - HA    LYS+  65   8.93 +/- 3.47   6.130% *  0.0485% (0.52   1.0  1.00   0.02   0.02) =   0.009%
        T HB2   LYS+ 121 - HA    LYS+  65  16.70 +/- 2.32   0.333% *  0.8549% (0.92   1.0 10.00   0.02   0.02) =   0.009%
        T HB2   LEU  123 - HA    LYS+  65  17.60 +/- 2.86   0.278% *  0.2922% (0.31   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  65 - HA    LYS+ 121  16.74 +/- 2.91   0.742% *  0.0967% (0.10   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HA    LYS+  65  22.82 +/- 3.15   0.125% *  0.4851% (0.52   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - HA    LYS+ 121  21.20 +/- 6.30   0.555% *  0.0893% (0.10   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   57 - HA    LYS+  65  11.51 +/- 2.07   1.258% *  0.0238% (0.26   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HA    LYS+  65  23.41 +/- 3.04   0.124% *  0.2136% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HA    LYS+  65  22.58 +/- 2.94   0.132% *  0.1322% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    LYS+  65  19.47 +/- 3.07   0.199% *  0.0849% (0.91   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HA    LYS+ 121  20.11 +/- 5.99   0.266% *  0.0547% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  17.95 +/- 2.89   0.285% *  0.0322% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  19.31 +/- 4.52   1.036% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  18.42 +/- 1.66   0.205% *  0.0241% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 121  17.81 +/- 1.33   0.224% *  0.0149% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  14.19 +/- 2.13   0.680% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  19.23 +/- 3.17   0.274% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  26.16 +/- 3.23   0.100% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 685 (2.93, 3.96, 58.29 ppm):
    12 chemical-shift based assignments, quality = 0.922, support = 4.98, residual support = 159.6:
    *   T QE    LYS+  65 - HA    LYS+  65   4.34 +/- 0.36  81.378% * 97.2340% (0.92 10.00   4.98 159.74) =  99.927%  kept
        T QE    LYS+  33 - HA    LYS+  65  15.86 +/- 3.19   2.598% *  0.8720% (0.83 10.00   0.02   0.02) =   0.029%
        T HB2   ASN   28 - HA    LYS+  65  19.26 +/- 3.44   2.170% *  0.9384% (0.89 10.00   0.02   0.02) =   0.026%
        T HB2   ASN   35 - HA    LYS+  65  20.67 +/- 3.03   1.283% *  0.5898% (0.56 10.00   0.02   0.02) =   0.010%
        T QE    LYS+  65 - HA    LYS+ 121  17.54 +/- 3.12   3.101% *  0.1097% (0.10 10.00   0.02   0.02) =   0.004%
          HB2   ASP-  78 - HA    LYS+  65  17.18 +/- 4.58   5.338% *  0.0365% (0.35  1.00   0.02   0.02) =   0.002%
        T QE    LYS+  33 - HA    LYS+ 121  22.98 +/- 4.87   0.853% *  0.0984% (0.09 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HA    LYS+  65  21.70 +/- 3.13   0.834% *  0.0898% (0.85  1.00   0.02   0.02) =   0.001%
          HB2   ASN   28 - HA    LYS+ 121  26.66 +/- 5.28   0.612% *  0.0106% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+ 121  26.65 +/- 3.21   0.427% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 121  25.71 +/- 5.79   0.621% *  0.0067% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+ 121  25.94 +/- 4.10   0.784% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 686 (3.96, 1.80, 33.13 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 6.56, residual support = 159.7:
    * O T HA    LYS+  65 - QB    LYS+  65   2.36 +/- 0.17  87.355% * 98.7802% (0.92  10.0 10.00   6.56 159.74) =  99.987%  kept
        T HA    LYS+ 121 - QB    LYS+  65  15.29 +/- 2.47   0.672% *  0.6058% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          QB    SER   48 - QB    LYS+  65  14.54 +/- 4.50   2.569% *  0.0818% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - QB    LYS+  65  14.39 +/- 5.32   1.636% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER  117 - QB    LYS+  65  14.07 +/- 2.62   4.338% *  0.0267% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QB    LYS+  65  13.92 +/- 2.25   0.727% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - QB    LYS+  65  14.31 +/- 2.97   0.851% *  0.0692% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - QB    LYS+  65  15.27 +/- 3.51   0.804% *  0.0521% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    LYS+  65  19.66 +/- 2.67   0.190% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    LYS+  65  15.13 +/- 2.86   0.493% *  0.0365% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    LYS+  65  19.45 +/- 2.60   0.187% *  0.0212% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  65  21.02 +/- 3.26   0.178% *  0.0187% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 687 (1.80, 1.80, 33.13 ppm):
    1 diagonal assignment:
    *     QB    LYS+  65 - QB    LYS+  65  (1.00)  kept
 
    Peak 689 (1.50, 1.80, 33.13 ppm):
    10 chemical-shift based assignments, quality = 0.962, support = 5.76, residual support = 142.0:
    * O T HG2   LYS+  65 - QB    LYS+  65   2.35 +/- 0.15  68.388% * 57.5064% (1.00  10.0 10.00   5.82 159.74) =  86.264%  kept
        T QD    LYS+  66 - QB    LYS+  65   4.95 +/- 1.17  14.981% * 41.7582% (0.73   1.0 10.00   5.42  30.70) =  13.722%  kept
        T HD2   LYS+ 121 - QB    LYS+  65  13.79 +/- 2.37   0.491% *  0.5700% (0.99   1.0 10.00   0.02   0.02) =   0.006%
          HB2   LYS+  74 - QB    LYS+  65   8.68 +/- 2.62   4.936% *  0.0480% (0.84   1.0  1.00   0.02   0.02) =   0.005%
          HD3   LYS+  74 - QB    LYS+  65   8.58 +/- 3.65   9.068% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   26 - QB    LYS+  65  13.06 +/- 1.55   0.464% *  0.0570% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - QB    LYS+  65  14.53 +/- 2.55   0.734% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QB    LYS+  65  13.19 +/- 1.62   0.496% *  0.0128% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  65  17.52 +/- 2.90   0.216% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  65  17.14 +/- 2.21   0.225% *  0.0101% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 691 (1.66, 1.80, 33.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 159.7:
    * O T QD    LYS+  65 - QB    LYS+  65   2.12 +/- 0.10  89.832% * 97.4795% (1.00  10.0 10.00   5.31 159.74) =  99.988%  kept
          HD2   LYS+  74 - QB    LYS+  65   8.31 +/- 3.06   6.107% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.004%
        T QD    LYS+  38 - QB    LYS+  65  17.36 +/- 2.70   0.304% *  0.8998% (0.92   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   PRO   93 - QB    LYS+  65  15.02 +/- 2.90   0.465% *  0.3659% (0.38   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - QB    LYS+  65  20.71 +/- 2.34   0.115% *  0.5519% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - QB    LYS+  65  13.77 +/- 2.03   0.523% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QB    LYS+  65   9.08 +/- 1.74   1.655% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - QB    LYS+  65  19.65 +/- 2.58   0.152% *  0.2431% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+  65  18.91 +/- 2.57   0.185% *  0.1504% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+  65  17.77 +/- 2.67   0.207% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+  65  14.35 +/- 2.49   0.456% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 692 (2.93, 1.80, 33.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 159.7:
    *   T QE    LYS+  65 - QB    LYS+  65   3.23 +/- 0.48  91.189% * 98.8300% (1.00 10.00   5.45 159.74) =  99.983%  kept
        T QE    LYS+  33 - QB    LYS+  65  15.60 +/- 2.65   1.311% *  0.8863% (0.90 10.00   0.02   0.02) =   0.013%
          HB2   ASP-  78 - QB    LYS+  65  15.28 +/- 4.19   4.734% *  0.0371% (0.38  1.00   0.02   0.02) =   0.002%
          HB2   ASN   28 - QB    LYS+  65  18.31 +/- 3.55   1.491% *  0.0954% (0.97  1.00   0.02   0.02) =   0.002%
          HB2   ASP-  86 - QB    LYS+  65  19.76 +/- 2.71   0.612% *  0.0912% (0.92  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QB    LYS+  65  19.94 +/- 2.86   0.662% *  0.0599% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 700 (3.96, 1.50, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 5.39, residual support = 159.7:
    * O T HA    LYS+  65 - HG2   LYS+  65   3.09 +/- 0.75  81.207% * 97.8884% (0.92  10.0 10.00   5.39 159.74) =  99.969%  kept
        T HA    ALA  120 - HG2   LYS+  65  17.02 +/- 2.41   0.901% *  1.0031% (0.95   1.0 10.00   0.02   0.02) =   0.011%
          QB    SER   48 - HG2   LYS+  65  16.40 +/- 5.45   7.709% *  0.0810% (0.76   1.0  1.00   0.02   0.02) =   0.008%
        T HA    LYS+ 121 - HG2   LYS+  65  18.51 +/- 2.66   0.597% *  0.6004% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          HA2   GLY   16 - HG2   LYS+  65  16.36 +/- 6.21   1.845% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - HG2   LYS+  65  17.60 +/- 4.09   2.738% *  0.0516% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   94 - HG2   LYS+  65  16.75 +/- 3.49   1.446% *  0.0686% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HG2   LYS+  65  17.52 +/- 3.66   1.480% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG2   LYS+  65  22.23 +/- 3.20   0.388% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HG2   LYS+  65  17.03 +/- 2.82   0.926% *  0.0264% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   LYS+  65  21.71 +/- 3.27   0.476% *  0.0210% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   LYS+  65  23.98 +/- 3.70   0.288% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.03 A, kept.
 
    Peak 701 (1.80, 1.50, 25.13 ppm):
    8 chemical-shift based assignments, quality = 0.962, support = 5.7, residual support = 148.6:
    * O T QB    LYS+  65 - HG2   LYS+  65   2.35 +/- 0.15  79.848% * 63.6862% (1.00  10.0 10.00   5.82 159.74) =  91.347%  kept
        T QB    LYS+  66 - HG2   LYS+  65   5.45 +/- 1.23  13.352% * 36.0562% (0.57   1.0 10.00   4.47  30.70) =   8.648%  kept
          HB3   GLN   17 - HG2   LYS+  65  13.17 +/- 6.15   5.047% *  0.0386% (0.61   1.0  1.00   0.02   0.02) =   0.004%
          HB2   LEU   71 - HG2   LYS+  65  12.89 +/- 2.28   0.740% *  0.0635% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HG2   LYS+  65  17.92 +/- 3.84   0.389% *  0.0532% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   LYS+  65  15.58 +/- 2.50   0.384% *  0.0239% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   LYS+  65  22.50 +/- 2.58   0.104% *  0.0624% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+  65  21.03 +/- 2.59   0.136% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 703 (1.50, 1.50, 25.13 ppm):
    1 diagonal assignment:
    *     HG2   LYS+  65 - HG2   LYS+  65  (1.00)  kept
 
    Peak 705 (1.66, 1.50, 25.13 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 4.52, residual support = 159.7:
    * O T QD    LYS+  65 - HG2   LYS+  65   2.34 +/- 0.14  89.941% * 96.4735% (1.00  10.0 10.00   4.52 159.74) =  99.949%  kept
        T HD2   LYS+  74 - HG2   LYS+  65   9.27 +/- 3.69   6.625% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.042%
        T HB2   LYS+ 121 - HG2   LYS+  65  16.82 +/- 2.17   0.335% *  0.9626% (1.00   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  38 - HG2   LYS+  65  19.68 +/- 3.26   0.290% *  0.8906% (0.92   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - HG2   LYS+  65  23.85 +/- 2.67   0.102% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG2   LYS+  65  10.80 +/- 2.41   1.521% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  65  23.07 +/- 3.40   0.130% *  0.2406% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  65  22.23 +/- 3.40   0.151% *  0.1489% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  65  19.97 +/- 3.55   0.184% *  0.0956% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  65  17.50 +/- 3.69   0.400% *  0.0362% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  65  17.45 +/- 2.78   0.322% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.04 A, kept.
 
    Peak 706 (2.93, 1.50, 25.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 159.7:
    * O T QE    LYS+  65 - HG2   LYS+  65   2.69 +/- 0.41  96.726% * 98.8300% (1.00  10.0 10.00   4.55 159.74) =  99.993%  kept
        T QE    LYS+  33 - HG2   LYS+  65  17.36 +/- 3.52   0.519% *  0.8863% (0.90   1.0 10.00   0.02   0.02) =   0.005%
          HB2   ASN   28 - HG2   LYS+  65  20.18 +/- 4.29   0.707% *  0.0954% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HG2   LYS+  65  16.81 +/- 4.80   1.536% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HG2   LYS+  65  22.36 +/- 3.45   0.276% *  0.0912% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  65  22.37 +/- 3.48   0.235% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 707 (3.96, 1.66, 29.54 ppm):
    60 chemical-shift based assignments, quality = 0.923, support = 4.84, residual support = 159.6:
    *   T HA    LYS+  65 - QD    LYS+  65   3.52 +/- 0.54  44.678% * 96.9449% (0.92 10.00   4.85 159.74) =  99.938%  kept
        T HA    LYS+ 121 - QD    LYS+  65  16.74 +/- 2.91   1.299% *  0.5946% (0.57 10.00   0.02   0.02) =   0.018%
          QB    SER   48 - QD    LYS+  65  14.65 +/- 5.55   5.147% *  0.0803% (0.76  1.00   0.02   0.02) =   0.010%
          HA2   GLY   16 - QD    LYS+  65  15.10 +/- 5.51   1.585% *  0.1014% (0.97  1.00   0.02   0.02) =   0.004%
        T HA    LYS+ 121 - QD    LYS+  38  21.20 +/- 6.30   1.270% *  0.1086% (0.10 10.00   0.02   0.02) =   0.003%
        T HA    LYS+  65 - QD    LYS+  38  18.01 +/- 3.02   0.738% *  0.1771% (0.17 10.00   0.02   0.02) =   0.003%
          HA    ALA  120 - QD    LYS+  65  15.32 +/- 2.46   0.945% *  0.0993% (0.95  1.00   0.02   0.02) =   0.002%
          QB    SER  117 - QD    LYS+  65  15.38 +/- 2.61   3.208% *  0.0262% (0.25  1.00   0.02   0.02) =   0.002%
        T HA    LYS+ 121 - QD    LYS+ 102  20.11 +/- 5.99   0.523% *  0.1503% (0.14 10.00   0.02   0.02) =   0.002%
          HB    THR   94 - QD    LYS+  65  15.45 +/- 3.39   0.893% *  0.0679% (0.65  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HD3   LYS+ 111  18.42 +/- 1.66   0.375% *  0.1472% (0.14 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  65 - QD    LYS+ 102  22.82 +/- 3.15   0.224% *  0.2450% (0.23 10.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - QD    LYS+  65  15.64 +/- 4.01   1.072% *  0.0511% (0.49  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  65 - HD3   LYS+ 111  23.41 +/- 3.04   0.227% *  0.2400% (0.23 10.00   0.02   0.02) =   0.001%
          QB    SER   48 - QD    LYS+ 102  21.97 +/- 5.52   2.324% *  0.0203% (0.19  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HD2   LYS+ 111  17.81 +/- 1.33   0.407% *  0.0911% (0.09 10.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - QD    LYS+  65  15.66 +/- 3.71   0.980% *  0.0358% (0.34  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  65 - HD2   LYS+ 111  22.58 +/- 2.94   0.234% *  0.1485% (0.14 10.00   0.02   0.02) =   0.001%
          QB    SER   85 - QD    LYS+  65  20.12 +/- 3.45   0.321% *  0.1014% (0.97  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HD3   LYS+ 111  13.99 +/- 2.62   1.610% *  0.0168% (0.16  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - QD    LYS+  38  22.19 +/- 5.47   1.348% *  0.0185% (0.18  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD    LYS+  38  14.45 +/- 4.17   1.288% *  0.0185% (0.18  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - HD3   LYS+ 111   9.25 +/- 1.43   3.163% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  38   9.52 +/- 2.16   5.071% *  0.0038% (0.04  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 111  13.16 +/- 2.54   1.746% *  0.0104% (0.10  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+ 102  17.39 +/- 3.58   0.608% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD2   LYS+ 111   8.80 +/- 1.27   3.652% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+ 102  21.08 +/- 4.95   0.524% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  38  22.84 +/- 5.20   0.680% *  0.0181% (0.17  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+ 111  17.02 +/- 1.59   0.473% *  0.0246% (0.23  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  14.80 +/- 3.70   1.092% *  0.0089% (0.08  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+ 102  16.53 +/- 1.60   0.551% *  0.0172% (0.16  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 111  17.10 +/- 3.49   0.728% *  0.0127% (0.12  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  65  20.42 +/- 3.11   0.422% *  0.0208% (0.20  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 111  18.27 +/- 3.19   0.416% *  0.0199% (0.19  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD2   LYS+ 111  16.44 +/- 1.50   0.536% *  0.0152% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  31.77 +/- 4.44   0.151% *  0.0515% (0.05 10.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD2   LYS+ 111  14.31 +/- 3.97   1.314% *  0.0055% (0.05  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 111  21.22 +/- 3.33   0.284% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+ 102  22.29 +/- 4.09   0.268% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  38  23.82 +/- 4.02   0.451% *  0.0147% (0.14  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 111  16.59 +/- 3.66   0.815% *  0.0078% (0.07  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  65  21.83 +/- 3.98   0.330% *  0.0184% (0.18  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 111  17.78 +/- 3.18   0.438% *  0.0123% (0.12  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+ 102  16.62 +/- 5.80   0.979% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 111  20.73 +/- 3.23   0.292% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+ 102  17.74 +/- 2.77   0.546% *  0.0066% (0.06  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  38  21.20 +/- 1.90   0.285% *  0.0124% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+ 102  27.60 +/- 4.63   0.244% *  0.0129% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 111  31.37 +/- 4.55   0.101% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+ 102  17.35 +/- 3.20   0.527% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  38  21.05 +/- 3.92   0.501% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+ 102  25.79 +/- 4.17   0.238% *  0.0091% (0.09  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  38  23.86 +/- 4.72   0.556% *  0.0034% (0.03  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 111  30.50 +/- 4.36   0.111% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  20.27 +/- 3.11   0.354% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  38  28.52 +/- 5.06   0.165% *  0.0093% (0.09  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD2   LYS+ 111  19.74 +/- 3.05   0.357% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  38  27.54 +/- 3.84   0.142% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD2   LYS+ 111  31.08 +/- 4.37   0.192% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.14 A, kept.
 
    Peak 708 (1.80, 1.66, 29.54 ppm):
    40 chemical-shift based assignments, quality = 0.874, support = 5.2, residual support = 158.5:
    * O T QB    LYS+  65 - QD    LYS+  65   2.12 +/- 0.10  45.717% * 69.3194% (1.00  10.0 10.00   5.31 159.74) =  82.920%  kept
      O T QB    LYS+ 102 - QD    LYS+ 102   2.33 +/- 0.25  35.843% * 17.1738% (0.25  10.0 10.00   4.75 160.09) =  16.107%  kept
          QB    LYS+  66 - QD    LYS+  65   5.39 +/- 0.86   3.708% *  8.6229% (0.57   1.0  1.00   4.39  30.70) =   0.837%  kept
        T HG2   PRO   93 - HD2   LYS+ 111   9.45 +/- 4.05   2.505% *  0.9985% (0.13   1.0 10.00   0.23   0.02) =   0.065%
          HG12  ILE  103 - QD    LYS+ 102   6.46 +/- 1.28   2.467% *  0.8517% (0.06   1.0  1.00   3.90  23.23) =   0.055%
        T HG2   PRO   93 - QD    LYS+  65  16.25 +/- 3.72   0.247% *  0.5790% (0.84   1.0 10.00   0.02   0.02) =   0.004%
          HB3   GLN   17 - QD    LYS+  65  12.21 +/- 5.44   2.238% *  0.0420% (0.61   1.0  1.00   0.02   0.02) =   0.002%
        T HB    VAL   41 - QD    LYS+ 102  13.52 +/- 5.36   1.403% *  0.0658% (0.09   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+ 102 - QD    LYS+  38  14.09 +/- 6.36   0.381% *  0.1241% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QD    LYS+  65  15.00 +/- 2.28   0.167% *  0.2602% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - QD    LYS+  65  20.81 +/- 2.08   0.052% *  0.6795% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QD    LYS+  38  10.81 +/- 1.52   0.453% *  0.0475% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HD3   LYS+ 111  10.23 +/- 3.98   1.497% *  0.0143% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QD    LYS+  65  12.56 +/- 2.02   0.296% *  0.0692% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  65 - QD    LYS+  38  17.36 +/- 2.70   0.151% *  0.1266% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD3   LYS+ 111  19.65 +/- 2.58   0.073% *  0.1716% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  20.71 +/- 2.34   0.054% *  0.1752% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  18.91 +/- 2.57   0.085% *  0.1062% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  38  10.88 +/- 1.81   0.567% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  21.37 +/- 1.46   0.047% *  0.1463% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  21.35 +/- 1.98   0.048% *  0.1041% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  38  16.46 +/- 3.41   0.603% *  0.0072% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  38  24.84 +/- 3.21   0.039% *  0.1058% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  22.52 +/- 2.41   0.044% *  0.0399% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  18.75 +/- 4.45   0.093% *  0.0175% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  38  16.13 +/- 3.52   0.210% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   LYS+ 111  19.87 +/- 3.83   0.140% *  0.0097% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  21.36 +/- 4.86   0.121% *  0.0106% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  19.58 +/- 2.22   0.068% *  0.0173% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   LYS+ 111  21.82 +/- 2.25   0.046% *  0.0168% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  19.16 +/- 3.66   0.128% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   LYS+ 111  26.43 +/- 4.53   0.039% *  0.0171% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  20.50 +/- 3.06   0.066% *  0.0099% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  38  16.21 +/- 4.62   0.147% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  25.66 +/- 4.28   0.043% *  0.0106% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   LYS+ 111  23.24 +/- 2.67   0.042% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   LYS+ 111  20.47 +/- 2.71   0.063% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   LYS+ 111  29.86 +/- 4.41   0.021% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  19.82 +/- 2.53   0.066% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  28.95 +/- 4.29   0.024% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 710 (1.50, 1.66, 29.54 ppm):
    50 chemical-shift based assignments, quality = 0.96, support = 4.52, residual support = 153.1:
    * O T HG2   LYS+  65 - QD    LYS+  65   2.34 +/- 0.14  47.903% * 54.0927% (1.00  10.0 10.00   4.52 159.74) =  90.598%  kept
        T QD    LYS+  66 - QD    LYS+  65   5.60 +/- 1.14   5.396% * 39.2794% (0.73   1.0 10.00   4.30  30.70) =   7.411%  kept
      O   HB3   LYS+ 111 - HD3   LYS+ 111   3.78 +/- 0.24  11.998% *  2.3452% (0.04  10.0  1.00   5.20 314.87) =   0.984%  kept
      O   HB3   LYS+ 111 - HD2   LYS+ 111   3.47 +/- 0.48  18.881% *  1.4512% (0.03  10.0  1.00   5.20 314.87) =   0.958%  kept
        T HB2   LYS+  74 - QD    LYS+  65   9.38 +/- 2.93   1.463% *  0.4518% (0.84   1.0 10.00   0.02   0.02) =   0.023%
        T HD3   LYS+  74 - QD    LYS+  65   9.22 +/- 3.82   2.851% *  0.0835% (0.15   1.0 10.00   0.02   0.02) =   0.008%
        T HD2   LYS+ 121 - QD    LYS+  65  15.25 +/- 2.83   0.275% *  0.5361% (0.99   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+  66 - QD    LYS+  38  17.71 +/- 3.85   1.078% *  0.0718% (0.13   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   LYS+ 121 - QD    LYS+  65  16.02 +/- 2.98   0.457% *  0.1349% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+ 121 - QD    LYS+  38  19.98 +/- 6.11   0.261% *  0.0979% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - QD    LYS+ 102  19.00 +/- 5.90   0.187% *  0.1355% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QD    LYS+  65  13.37 +/- 2.14   0.363% *  0.0536% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  66 - HD3   LYS+ 111  21.31 +/- 4.58   0.187% *  0.0972% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - HD3   LYS+ 111  17.99 +/- 2.55   0.133% *  0.1327% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - QD    LYS+  38  19.68 +/- 3.26   0.151% *  0.0988% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+  74 - QD    LYS+  38  17.65 +/- 3.12   0.166% *  0.0825% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+ 102   7.45 +/- 1.31   2.926% *  0.0034% (0.06   1.0  1.00   0.02   0.29) =   0.000%
        T HG2   LYS+  65 - HD3   LYS+ 111  23.07 +/- 3.40   0.068% *  0.1339% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+ 102  23.85 +/- 2.67   0.053% *  0.1367% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+ 102  22.30 +/- 2.94   0.069% *  0.0993% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+ 102  18.75 +/- 5.96   0.197% *  0.0341% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD2   LYS+ 111  22.23 +/- 3.40   0.079% *  0.0829% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HD3   LYS+ 111  23.71 +/- 3.23   0.055% *  0.1119% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  38  20.39 +/- 6.10   0.178% *  0.0246% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HD3   LYS+ 111  17.37 +/- 1.70   0.129% *  0.0334% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  13.54 +/- 1.72   0.310% *  0.0098% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+ 102  16.95 +/- 3.23   0.203% *  0.0136% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  65  14.75 +/- 1.73   0.216% *  0.0120% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   8.32 +/- 0.84   1.165% *  0.0022% (0.04   1.0  1.00   0.02   0.83) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  38  19.31 +/- 3.71   0.156% *  0.0152% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+ 102  20.88 +/- 3.25   0.089% *  0.0211% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HD3   LYS+ 111  22.85 +/- 4.45   0.076% *  0.0207% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  65  19.07 +/- 2.68   0.113% *  0.0135% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+ 102  15.11 +/- 6.35   0.448% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  65  18.32 +/- 2.63   0.127% *  0.0095% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HD2   LYS+ 111  17.30 +/- 2.21   0.141% *  0.0082% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD    LYS+ 102  20.14 +/- 2.98   0.098% *  0.0114% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  38  14.59 +/- 5.66   0.439% *  0.0025% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD2   LYS+ 111  20.57 +/- 4.38   0.175% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 111  25.93 +/- 2.68   0.040% *  0.0133% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD2   LYS+ 111  22.79 +/- 3.04   0.062% *  0.0069% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+ 111  25.27 +/- 2.68   0.044% *  0.0082% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HD2   LYS+ 111  16.68 +/- 1.43   0.143% *  0.0021% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD3   LYS+ 111  21.77 +/- 3.26   0.078% *  0.0033% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 102  21.26 +/- 2.63   0.072% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD2   LYS+ 111  21.19 +/- 2.92   0.078% *  0.0021% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 111  24.41 +/- 2.73   0.047% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   LYS+ 111  21.91 +/- 4.19   0.085% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+ 111  23.68 +/- 2.38   0.049% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  38  26.00 +/- 3.12   0.039% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 712 (1.66, 1.66, 29.54 ppm):
    5 diagonal assignments:
    *     QD    LYS+  65 - QD    LYS+  65  (1.00)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.17)  kept
          QD    LYS+ 102 - QD    LYS+ 102  (0.14)  kept
          HD3   LYS+ 111 - HD3   LYS+ 111  (0.06)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 713 (2.93, 1.66, 29.54 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.13, residual support = 159.7:
    * O T QE    LYS+  65 - QD    LYS+  65   2.08 +/- 0.03  88.268% * 97.0780% (1.00  10.0 10.00   4.13 159.74) =  99.991%  kept
        T QE    LYS+  33 - QD    LYS+  65  16.32 +/- 3.12   0.285% *  0.8706% (0.90   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  33 - QD    LYS+  38  10.02 +/- 1.35   0.980% *  0.1590% (0.16   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASP-  78 - QD    LYS+  65  15.12 +/- 5.26   1.726% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - QD    LYS+  38  18.87 +/- 3.36   0.315% *  0.1773% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - QD    LYS+ 102  17.36 +/- 3.25   0.187% *  0.2201% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  38   6.65 +/- 1.18   3.729% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  65  18.89 +/- 4.08   0.378% *  0.0937% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  21.55 +/- 2.82   0.102% *  0.2403% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+ 102  22.62 +/- 2.34   0.079% *  0.2454% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD2   LYS+ 111  20.80 +/- 2.69   0.117% *  0.1487% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  38  21.07 +/- 6.34   0.861% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  65  20.43 +/- 3.40   0.129% *  0.0896% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+ 102  15.86 +/- 4.56   0.392% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  38  15.41 +/- 3.22   0.464% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  29.58 +/- 2.82   0.035% *  0.2155% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  65  21.04 +/- 3.24   0.128% *  0.0589% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 102  16.97 +/- 6.66   0.421% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+ 102  18.34 +/- 5.09   0.255% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD2   LYS+ 111  28.91 +/- 2.76   0.039% *  0.1334% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  38  24.57 +/- 5.48   0.440% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+ 102  22.97 +/- 5.38   0.198% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  23.50 +/- 3.36   0.080% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD2   LYS+ 111  22.87 +/- 3.07   0.084% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  30.74 +/- 4.25   0.038% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  24.96 +/- 4.86   0.077% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD2   LYS+ 111  30.04 +/- 4.19   0.043% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  32.49 +/- 4.11   0.032% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD2   LYS+ 111  24.16 +/- 4.40   0.082% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD2   LYS+ 111  31.81 +/- 4.05   0.037% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 721 (3.96, 2.93, 42.22 ppm):
    24 chemical-shift based assignments, quality = 0.894, support = 4.93, residual support = 154.6:
    *   T HA    LYS+  65 - QE    LYS+  65   4.34 +/- 0.36  42.579% * 88.0388% (0.92 10.00   4.98 159.74) =  96.445%  kept
        T HA    GLN   32 - QE    LYS+  33   6.92 +/- 0.94  13.826% *  9.7024% (0.10 10.00   3.56  15.25) =   3.451%  kept
          QB    SER   48 - QE    LYS+  65  14.72 +/- 6.11  13.674% *  0.0729% (0.76  1.00   0.02   0.02) =   0.026%
        T HA    LYS+ 121 - QE    LYS+  65  17.54 +/- 3.12   1.680% *  0.5399% (0.57 10.00   0.02   0.02) =   0.023%
        T HA    LYS+  65 - QE    LYS+  33  15.86 +/- 3.19   1.377% *  0.4526% (0.47 10.00   0.02   0.02) =   0.016%
          HA2   GLY   16 - QE    LYS+  33  10.34 +/- 2.78   6.612% *  0.0473% (0.50  1.00   0.02   0.02) =   0.008%
          HA2   GLY   16 - QE    LYS+  65  15.65 +/- 5.58   3.179% *  0.0920% (0.97  1.00   0.02   0.02) =   0.008%
        T HA    GLN   32 - QE    LYS+  65  20.80 +/- 3.20   0.690% *  0.1887% (0.20 10.00   0.02   0.02) =   0.003%
        T HA    LYS+ 121 - QE    LYS+  33  22.98 +/- 4.87   0.467% *  0.2776% (0.29 10.00   0.02   0.02) =   0.003%
          HA    ALA  120 - QE    LYS+  65  16.08 +/- 2.61   1.355% *  0.0902% (0.95  1.00   0.02   0.02) =   0.003%
          HB    THR   94 - QE    LYS+  65  16.13 +/- 3.42   1.479% *  0.0617% (0.65  1.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - QE    LYS+  65  15.88 +/- 4.49   1.713% *  0.0464% (0.49  1.00   0.02   0.02) =   0.002%
          QB    SER   85 - QE    LYS+  33  20.23 +/- 3.75   1.519% *  0.0473% (0.50  1.00   0.02   0.02) =   0.002%
          QB    SER  117 - QE    LYS+  65  16.22 +/- 2.38   2.216% *  0.0238% (0.25  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - QE    LYS+  65  16.00 +/- 4.14   1.524% *  0.0325% (0.34  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - QE    LYS+  65  20.52 +/- 3.49   0.488% *  0.0920% (0.97  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - QE    LYS+  33  20.07 +/- 2.95   1.161% *  0.0317% (0.33  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - QE    LYS+  33  21.29 +/- 3.99   0.937% *  0.0375% (0.39  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QE    LYS+  33  24.11 +/- 4.61   0.400% *  0.0464% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  22.63 +/- 3.62   1.486% *  0.0086% (0.09  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  22.40 +/- 3.93   0.479% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  33  26.88 +/- 4.17   0.329% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  26.11 +/- 3.78   0.390% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  33  22.51 +/- 3.33   0.441% *  0.0122% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.05 A, kept.
 
    Peak 722 (1.80, 2.93, 42.22 ppm):
    16 chemical-shift based assignments, quality = 0.977, support = 5.39, residual support = 153.0:
    *   T QB    LYS+  65 - QE    LYS+  65   3.23 +/- 0.48  44.921% * 88.1386% (1.00 10.00   5.45 159.74) =  94.818%  kept
          QB    LYS+  66 - QE    LYS+  65   5.66 +/- 1.57  19.794% * 10.8429% (0.57  1.00   4.35  30.70) =   5.140%  kept
          HB2   LEU   71 - QE    LYS+  33   9.13 +/- 4.38  14.232% *  0.0452% (0.51  1.00   0.02   0.02) =   0.015%
          HB3   GLN   17 - QE    LYS+  65  12.58 +/- 5.63   9.472% *  0.0535% (0.61  1.00   0.02   0.02) =   0.012%
        T QB    LYS+  65 - QE    LYS+  33  15.60 +/- 2.65   0.508% *  0.4531% (0.51 10.00   0.02   0.02) =   0.006%
          HB2   LEU   71 - QE    LYS+  65  13.16 +/- 2.14   1.175% *  0.0879% (1.00  1.00   0.02   0.02) =   0.002%
          HB3   GLN   17 - QE    LYS+  33  10.52 +/- 2.89   3.193% *  0.0275% (0.31  1.00   0.02   0.02) =   0.002%
          HB    VAL   41 - QE    LYS+  33  10.27 +/- 2.17   3.566% *  0.0170% (0.19  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QE    LYS+  65  16.85 +/- 3.86   0.588% *  0.0736% (0.84  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QE    LYS+  33  16.40 +/- 3.30   0.445% *  0.0444% (0.50  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  65  15.64 +/- 2.10   0.541% *  0.0331% (0.38  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  65  21.46 +/- 2.32   0.171% *  0.0864% (0.98  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  33  15.83 +/- 3.24   0.565% *  0.0257% (0.29  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  33  24.43 +/- 3.99   0.189% *  0.0378% (0.43  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  65  20.33 +/- 2.37   0.218% *  0.0220% (0.25  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  33  16.89 +/- 2.79   0.423% *  0.0113% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 724 (1.50, 2.93, 42.22 ppm):
    20 chemical-shift based assignments, quality = 0.987, support = 4.55, residual support = 153.9:
    * O T HG2   LYS+  65 - QE    LYS+  65   2.69 +/- 0.41  55.739% * 85.0636% (1.00  10.0 10.00   4.55 159.74) =  95.481%  kept
          QD    LYS+  66 - QE    LYS+  65   5.65 +/- 1.71  15.997% * 13.9692% (0.73   1.0  1.00   4.52  30.70) =   4.500%  kept
          QG2   THR   26 - QE    LYS+  33   6.83 +/- 1.21   5.640% *  0.0433% (0.51   1.0  1.00   0.02   0.02) =   0.005%
          HB2   LYS+  74 - QE    LYS+  65   9.74 +/- 3.21   3.289% *  0.0711% (0.84   1.0  1.00   0.02   0.02) =   0.005%
          HD3   LYS+  74 - QE    LYS+  65   9.40 +/- 4.27  13.079% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   LYS+  65 - QE    LYS+  33  17.36 +/- 3.52   0.296% *  0.4373% (0.51   1.0 10.00   0.02   0.02) =   0.003%
          QG2   THR   26 - QE    LYS+  65  13.60 +/- 2.22   0.590% *  0.0843% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QE    LYS+  65  16.14 +/- 2.92   0.446% *  0.0843% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QE    LYS+  33  13.29 +/- 2.27   0.618% *  0.0365% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  65  16.88 +/- 3.17   0.738% *  0.0212% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QE    LYS+  33  16.86 +/- 3.32   0.323% *  0.0318% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  33  11.95 +/- 2.67   1.031% *  0.0097% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  65  15.35 +/- 1.84   0.392% *  0.0189% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  33  21.31 +/- 4.60   0.160% *  0.0433% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  33  15.24 +/- 3.27   0.711% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  33  16.63 +/- 3.32   0.360% *  0.0109% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  65  19.87 +/- 2.91   0.178% *  0.0212% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  65  19.10 +/- 2.32   0.205% *  0.0149% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  33  21.91 +/- 4.82   0.143% *  0.0109% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  33  27.31 +/- 2.73   0.063% *  0.0077% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.03 A, kept.
 
    Peak 726 (1.66, 2.93, 42.22 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.13, residual support = 159.7:
    * O T QD    LYS+  65 - QE    LYS+  65   2.08 +/- 0.03  90.340% * 96.2302% (1.00  10.0 10.00   4.13 159.74) =  99.984%  kept
        T QD    LYS+  38 - QE    LYS+  33  10.02 +/- 1.35   1.002% *  0.4567% (0.47   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+  38 - QE    LYS+  65  18.87 +/- 3.36   0.323% *  0.8883% (0.92   1.0 10.00   0.02   0.02) =   0.003%
          HD2   LYS+  74 - QE    LYS+  65   9.35 +/- 3.59   3.575% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - QE    LYS+  33  16.32 +/- 3.12   0.292% *  0.4947% (0.51   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - QE    LYS+  33  17.36 +/- 3.25   0.191% *  0.2801% (0.29   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - QE    LYS+  65  22.62 +/- 2.34   0.081% *  0.5448% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - QE    LYS+  65  16.13 +/- 2.65   0.391% *  0.0960% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  65  10.08 +/- 2.35   1.373% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  21.55 +/- 2.82   0.105% *  0.2400% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  65  18.54 +/- 3.71   0.187% *  0.0954% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  65  20.80 +/- 2.69   0.120% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  33  17.80 +/- 4.16   0.310% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  65  16.41 +/- 3.82   0.365% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  14.45 +/- 2.97   0.467% *  0.0280% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  65  16.35 +/- 3.05   0.300% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  33  21.72 +/- 4.27   0.115% *  0.0494% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  29.58 +/- 2.82   0.036% *  0.1234% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  33  28.91 +/- 2.76   0.040% *  0.0763% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  18.78 +/- 2.95   0.194% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  33  24.33 +/- 4.33   0.104% *  0.0186% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  33  24.44 +/- 5.02   0.090% *  0.0169% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 727 (2.93, 2.93, 42.22 ppm):
    2 diagonal assignments:
    *     QE    LYS+  65 - QE    LYS+  65  (1.00)  kept
          QE    LYS+  33 - QE    LYS+  33  (0.46)  kept
 
    Peak 728 (4.07, 4.07, 57.65 ppm):
    1 diagonal assignment:
    *     HA    LYS+  66 - HA    LYS+  66  (1.00)  kept
 
    Peak 729 (1.82, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 0.989, support = 5.21, residual support = 116.1:
    * O T QB    LYS+  66 - HA    LYS+  66   2.36 +/- 0.12  83.268% * 85.7991% (1.00  10.0 10.00   5.20 118.45) =  97.362%  kept
          QB    LYS+  65 - HA    LYS+  66   4.36 +/- 0.36  14.502% * 13.3327% (0.57   1.0  1.00   5.49  30.70) =   2.635%  kept
        T HB3   PRO   52 - HA    LYS+  66  20.72 +/- 3.16   0.156% *  0.4858% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HA    LYS+  66  12.29 +/- 1.46   0.700% *  0.0451% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  66  15.60 +/- 3.93   0.585% *  0.0486% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  66  15.69 +/- 2.04   0.338% *  0.0812% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  66  20.03 +/- 3.20   0.173% *  0.0769% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  66  21.52 +/- 3.28   0.145% *  0.0717% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  66  22.46 +/- 3.49   0.132% *  0.0589% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 731 (1.44, 4.07, 57.65 ppm):
    12 chemical-shift based assignments, quality = 0.954, support = 4.36, residual support = 109.3:
    * O T QG    LYS+  66 - HA    LYS+  66   2.70 +/- 0.40  70.497% * 64.6379% (1.00  10.0 10.00   4.34 118.45) =  91.092%  kept
        T HG    LEU   67 - HA    LYS+  66   5.60 +/- 1.15  14.818% * 24.2593% (0.38   1.0 10.00   4.81  15.68) =   7.186%  kept
          HB3   LEU   67 - HA    LYS+  66   5.81 +/- 0.45   7.991% * 10.7424% (0.95   1.0  1.00   3.51  15.68) =   1.716%  kept
          QB    ALA   61 - HA    LYS+  66   8.41 +/- 1.06   2.920% *  0.0540% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   73 - HA    LYS+  66  14.54 +/- 1.47   0.575% *  0.0611% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - HA    LYS+  66  18.07 +/- 3.71   0.682% *  0.0392% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HA    LYS+  66  13.47 +/- 1.14   0.748% *  0.0315% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  66  14.41 +/- 2.37   0.613% *  0.0340% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  66  16.65 +/- 2.98   0.611% *  0.0315% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  66  21.40 +/- 2.99   0.195% *  0.0418% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    LYS+  66  26.08 +/- 4.20   0.101% *  0.0561% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  66  20.86 +/- 2.57   0.247% *  0.0113% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 732 (1.51, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 0.991, support = 4.54, residual support = 115.4:
    *   T QD    LYS+  66 - HA    LYS+  66   2.54 +/- 0.42  77.503% * 85.3819% (1.00 10.00   4.55 118.45) =  96.586%  kept
          HG2   LYS+  65 - HA    LYS+  66   5.40 +/- 1.27  17.086% * 13.6365% (0.73  1.00   4.40  30.70) =   3.401%  kept
        T HD2   LYS+ 121 - HA    LYS+  66  16.29 +/- 3.84   1.033% *  0.6837% (0.80 10.00   0.02   0.02) =   0.010%
          HD3   LYS+  74 - HA    LYS+  66  11.94 +/- 3.05   1.234% *  0.0449% (0.53  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - HA    LYS+  66  17.13 +/- 4.19   0.816% *  0.0586% (0.69  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HA    LYS+  66  11.87 +/- 2.51   1.107% *  0.0320% (0.38  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    LYS+  66  15.69 +/- 2.37   0.548% *  0.0552% (0.65  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  66  20.14 +/- 4.41   0.311% *  0.0586% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  66  21.24 +/- 3.87   0.362% *  0.0483% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.02 A, kept.
 
    Peak 733 (2.87, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.37, residual support = 118.4:
    *   T QE    LYS+  66 - HA    LYS+  66   3.76 +/- 0.78  87.874% * 99.6609% (1.00 10.00   4.37 118.45) =  99.983%  kept
        T HB2   ASP-  76 - HA    LYS+  66  16.52 +/- 3.40   5.558% *  0.2219% (0.22 10.00   0.02   0.02) =   0.014%
          HB2   ASN   69 - HA    LYS+  66  10.28 +/- 1.06   5.720% *  0.0308% (0.31  1.00   0.02   0.02) =   0.002%
          HB3   ASN   35 - HA    LYS+  66  21.47 +/- 3.81   0.848% *  0.0864% (0.87  1.00   0.02   0.02) =   0.001%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 734 (4.07, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.2, residual support = 118.4:
    * O T HA    LYS+  66 - QB    LYS+  66   2.36 +/- 0.12  96.741% * 99.9488% (1.00  10.0 10.00   5.20 118.45) = 100.000%  kept
          HA1   GLY   16 - QB    LYS+  66  13.74 +/- 4.80   2.847% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  66  19.87 +/- 2.85   0.221% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    LYS+  66  19.58 +/- 2.07   0.191% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 735 (1.82, 1.82, 33.88 ppm):
    1 diagonal assignment:
    *     QB    LYS+  66 - QB    LYS+  66  (1.00)  kept
 
    Peak 737 (1.44, 1.82, 33.88 ppm):
    12 chemical-shift based assignments, quality = 0.966, support = 4.56, residual support = 112.0:
    * O T QG    LYS+  66 - QB    LYS+  66   2.05 +/- 0.02  78.292% * 64.3880% (1.00  10.0 10.00   4.56 118.45) =  93.703%  kept
        T HG    LEU   67 - QB    LYS+  66   5.00 +/- 1.08  11.758% * 24.1655% (0.38   1.0 10.00   4.76  15.68) =   5.282%  kept
          HB3   LEU   67 - QB    LYS+  66   5.30 +/- 0.58   5.138% * 10.5848% (0.95   1.0  1.00   3.48  15.68) =   1.011%  kept
          QB    ALA   61 - QB    LYS+  66   7.24 +/- 0.78   1.998% *  0.0538% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   LYS+ 102 - QB    LYS+  66  22.48 +/- 3.79   0.082% *  0.5585% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QB    LYS+  66  13.31 +/- 2.89   0.920% *  0.0313% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QB    LYS+  66  13.13 +/- 1.33   0.337% *  0.0609% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+  66  15.03 +/- 3.37   0.423% *  0.0391% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QB    LYS+  66  11.61 +/- 1.28   0.495% *  0.0313% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+  66  13.43 +/- 1.37   0.321% *  0.0339% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+  66  19.00 +/- 2.46   0.114% *  0.0417% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  66  18.44 +/- 2.00   0.122% *  0.0113% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 738 (1.51, 1.82, 33.88 ppm):
    9 chemical-shift based assignments, quality = 0.973, support = 4.65, residual support = 110.0:
    * O T QD    LYS+  66 - QB    LYS+  66   2.27 +/- 0.16  81.496% * 57.5492% (1.00  10.0 10.00   4.67 118.45) =  90.341%  kept
        T HG2   LYS+  65 - QB    LYS+  66   5.45 +/- 1.23  11.982% * 41.7893% (0.73   1.0 10.00   4.47  30.70) =   9.645%  kept
        T HD2   LYS+ 121 - QB    LYS+  66  12.91 +/- 3.52   1.213% *  0.4608% (0.80   1.0 10.00   0.02   0.02) =   0.011%
          HD3   LYS+  74 - QB    LYS+  66  10.51 +/- 2.54   1.410% *  0.0303% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - QB    LYS+  66  13.64 +/- 3.92   1.001% *  0.0395% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QB    LYS+  66  10.67 +/- 1.94   1.214% *  0.0216% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QB    LYS+  66  14.44 +/- 2.48   0.619% *  0.0372% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  66  17.00 +/- 4.20   0.542% *  0.0395% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  66  17.42 +/- 3.59   0.523% *  0.0326% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 739 (2.87, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.56, residual support = 118.4:
    *   T QE    LYS+  66 - QB    LYS+  66   3.21 +/- 0.54  91.465% * 99.6609% (1.00 10.00   4.56 118.45) =  99.990%  kept
        T HB2   ASP-  76 - QB    LYS+  66  14.56 +/- 2.47   2.868% *  0.2219% (0.22 10.00   0.02   0.02) =   0.007%
          HB2   ASN   69 - QB    LYS+  66   9.38 +/- 0.91   4.420% *  0.0308% (0.31  1.00   0.02   0.02) =   0.001%
          HB3   ASN   35 - QB    LYS+  66  19.31 +/- 3.67   1.247% *  0.0864% (0.87  1.00   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 746 (4.07, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 0.985, support = 4.35, residual support = 116.8:
    * O T HA    LYS+  66 - QG    LYS+  66   2.70 +/- 0.40  74.512% * 92.8046% (1.00  10.0 10.00   4.34 118.45) =  98.400%  kept
        T HA    LYS+  66 - HG    LEU   67   5.60 +/- 1.15  15.729% *  7.1442% (0.08   1.0 10.00   4.81  15.68) =   1.599%  kept
          HA1   GLY   16 - QG    LYS+  66  14.14 +/- 4.89   2.667% *  0.0126% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  66  20.38 +/- 3.39   0.469% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG    LEU   67  12.99 +/- 5.45   5.713% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QG    LYS+  66  20.12 +/- 2.36   0.307% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   67  18.48 +/- 2.87   0.337% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   67  20.72 +/- 2.53   0.267% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 747 (1.82, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 0.977, support = 4.6, residual support = 114.8:
    * O T QB    LYS+  66 - QG    LYS+  66   2.05 +/- 0.02  69.156% * 79.3014% (1.00  10.0 10.00   4.56 118.45) =  95.994%  kept
          QB    LYS+  65 - QG    LYS+  66   4.65 +/- 1.24  12.743% * 12.9063% (0.57   1.0  1.00   5.75  30.70) =   2.879%  kept
        T QB    LYS+  66 - HG    LEU   67   5.00 +/- 1.08  10.488% *  6.1047% (0.08   1.0 10.00   4.76  15.68) =   1.121%  kept
        T HB    VAL   41 - QG    LYS+  66  14.47 +/- 1.85   0.239% *  0.7502% (0.95   1.0 10.00   0.02   0.02) =   0.003%
        T QB    LYS+ 102 - QG    LYS+  66  19.97 +/- 3.02   0.094% *  0.5447% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  123 - QG    LYS+  66  12.49 +/- 4.26   0.973% *  0.0449% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG    LEU   67  11.88 +/- 2.45   0.547% *  0.0577% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QG    LYS+  66  12.12 +/- 1.26   0.405% *  0.0417% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    LYS+  66  17.32 +/- 3.07   0.152% *  0.0711% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   67   7.01 +/- 1.19   2.617% *  0.0035% (0.04   1.0  1.00   0.02   0.37) =   0.000%
          HB3   PRO   52 - QG    LYS+  66  17.62 +/- 3.70   0.190% *  0.0449% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    LYS+  66  19.16 +/- 2.93   0.107% *  0.0662% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG    LEU   67  19.34 +/- 4.42   0.163% *  0.0419% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG    LEU   67   9.23 +/- 1.97   1.395% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   67  18.14 +/- 4.38   0.218% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   67  16.20 +/- 4.00   0.262% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   67  18.87 +/- 3.20   0.127% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   67  20.71 +/- 3.79   0.123% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 749 (1.44, 1.44, 25.66 ppm):
    2 diagonal assignments:
    *     QG    LYS+  66 - QG    LYS+  66  (1.00)  kept
          HG    LEU   67 - HG    LEU   67  (0.03)  kept
 
    Peak 750 (1.51, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 0.987, support = 4.35, residual support = 115.1:
    * O T QD    LYS+  66 - QG    LYS+  66   2.09 +/- 0.03  69.875% * 79.6841% (1.00  10.0 10.00   4.34 118.45) =  96.267%  kept
          HG2   LYS+  65 - QG    LYS+  66   5.92 +/- 1.58  14.674% * 13.1701% (0.73   1.0  1.00   4.55  30.70) =   3.341%  kept
        T QD    LYS+  66 - HG    LEU   67   6.51 +/- 1.10   3.560% *  6.1341% (0.08   1.0 10.00   4.21  15.68) =   0.378%  kept
        T HD2   LYS+ 121 - QG    LYS+  66  13.45 +/- 3.78   0.856% *  0.6381% (0.80   1.0 10.00   0.02   0.02) =   0.009%
        T HD2   LYS+ 121 - HG    LEU   67  15.36 +/- 5.09   1.488% *  0.0491% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QG    LYS+  66  11.00 +/- 2.55   0.752% *  0.0419% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - QG    LYS+  66  14.24 +/- 4.17   0.510% *  0.0547% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG    LEU   67  10.65 +/- 2.98   1.178% *  0.0230% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG    LYS+  66  14.86 +/- 2.47   0.384% *  0.0515% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QG    LYS+  66  11.27 +/- 1.84   0.611% *  0.0299% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG    LYS+  66  17.93 +/- 4.12   0.404% *  0.0451% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QG    LYS+  66  17.85 +/- 4.00   0.217% *  0.0547% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG    LEU   67  16.76 +/- 5.31   2.103% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG    LEU   67   8.49 +/- 1.51   1.587% *  0.0045% (0.06   1.0  1.00   0.02   0.37) =   0.000%
          HD3   LYS+  74 - HG    LEU   67  11.28 +/- 3.01   0.921% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HG    LEU   67  16.16 +/- 5.10   0.456% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG    LEU   67  14.33 +/- 2.08   0.265% *  0.0040% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG    LEU   67  20.41 +/- 3.98   0.159% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 751 (2.87, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 0.997, support = 3.8, residual support = 118.1:
    * O T QE    LYS+  66 - QG    LYS+  66   2.11 +/- 0.11  90.301% * 92.5373% (1.00  10.0 10.00   3.80 118.45) =  99.647%  kept
        T QE    LYS+  66 - HG    LEU   67   6.88 +/- 1.44   4.132% *  7.1236% (0.08   1.0 10.00   3.93  15.68) =   0.351%  kept
        T HB2   ASP-  76 - QG    LYS+  66  15.06 +/- 2.64   0.467% *  0.2060% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASN   35 - QG    LYS+  66  19.84 +/- 4.31   0.384% *  0.0803% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QG    LYS+  66   9.91 +/- 1.08   1.021% *  0.0286% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG    LEU   67  15.56 +/- 2.70   0.528% *  0.0159% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG    LEU   67   7.82 +/- 1.52   2.919% *  0.0022% (0.02   1.0  1.00   0.02   2.95) =   0.000%
          HB3   ASN   35 - HG    LEU   67  17.98 +/- 3.22   0.247% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 752 (4.07, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 118.4:
    *   T HA    LYS+  66 - QD    LYS+  66   2.54 +/- 0.42  93.177% * 99.8184% (1.00 10.00   4.55 118.45) =  99.998%  kept
        T HA    LYS+  66 - HD2   LYS+ 121  16.29 +/- 3.84   1.214% *  0.1241% (0.12 10.00   0.02   0.02) =   0.002%
          HA1   GLY   16 - QD    LYS+  66  14.63 +/- 5.28   4.088% *  0.0135% (0.14  1.00   0.02   0.02) =   0.001%
          HA    GLU-  36 - QD    LYS+  66  21.09 +/- 3.17   0.293% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD    LYS+  66  20.97 +/- 2.39   0.225% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HD2   LYS+ 121  20.90 +/- 4.98   0.632% *  0.0017% (0.02  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   LYS+ 121  25.18 +/- 5.51   0.205% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   LYS+ 121  24.53 +/- 2.95   0.166% *  0.0019% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 753 (1.82, 1.51, 29.56 ppm):
    18 chemical-shift based assignments, quality = 0.951, support = 4.75, residual support = 108.5:
    * O T QB    LYS+  66 - QD    LYS+  66   2.27 +/- 0.16  73.940% * 63.5425% (1.00  10.0 10.00   4.67 118.45) =  88.667%  kept
        T QB    LYS+  65 - QD    LYS+  66   4.95 +/- 1.17  16.687% * 35.9749% (0.57   1.0 10.00   5.42  30.70) =  11.329%  kept
        T QB    LYS+  66 - HD2   LYS+ 121  12.91 +/- 3.52   1.062% *  0.0790% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU  123 - QD    LYS+  66  13.16 +/- 4.50   1.388% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  65 - HD2   LYS+ 121  13.79 +/- 2.37   0.470% *  0.0447% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD    LYS+  66  15.55 +/- 1.75   0.276% *  0.0601% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  66  12.84 +/- 1.15   0.467% *  0.0334% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD    LYS+  66  18.26 +/- 3.33   0.196% *  0.0570% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  66  18.41 +/- 3.41   0.224% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   LYS+ 121   8.27 +/- 0.80   1.761% *  0.0045% (0.07   1.0  1.00   0.02   2.32) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 121  18.83 +/- 4.23   1.604% *  0.0045% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  66  20.38 +/- 3.02   0.131% *  0.0531% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD    LYS+  66  21.05 +/- 3.10   0.116% *  0.0436% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   LYS+ 121  16.67 +/- 5.00   0.445% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 121  17.28 +/- 6.70   0.375% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   LYS+ 121  17.55 +/- 7.06   0.408% *  0.0054% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD2   LYS+ 121  17.98 +/- 3.14   0.203% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 121  18.00 +/- 4.16   0.247% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 755 (1.44, 1.51, 29.56 ppm):
    24 chemical-shift based assignments, quality = 0.988, support = 4.33, residual support = 116.1:
    * O T QG    LYS+  66 - QD    LYS+  66   2.09 +/- 0.03  80.405% * 65.9030% (1.00  10.0 10.00   4.34 118.45) =  97.705%  kept
        T HG    LEU   67 - QD    LYS+  66   6.51 +/- 1.10   4.020% * 24.7341% (0.38   1.0 10.00   4.21  15.68) =   1.833%  kept
          HB3   LEU   67 - QD    LYS+  66   6.77 +/- 0.74   2.805% *  8.7574% (0.95   1.0  1.00   2.81  15.68) =   0.453%  kept
          QB    ALA   61 - QD    LYS+  66   8.22 +/- 1.57   2.034% *  0.0550% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T HG    LEU   40 - HD2   LYS+ 121  15.10 +/- 6.59   2.402% *  0.0399% (0.06   1.0 10.00   0.02   0.02) =   0.002%
        T QG    LYS+  66 - HD2   LYS+ 121  13.45 +/- 3.78   0.963% *  0.0819% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   67 - HD2   LYS+ 121  15.36 +/- 5.09   1.674% *  0.0308% (0.05   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LEU  115 - HD2   LYS+ 121  11.05 +/- 1.33   0.645% *  0.0399% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  66  14.88 +/- 3.49   0.694% *  0.0321% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  66  14.69 +/- 1.20   0.249% *  0.0623% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  66  16.36 +/- 3.80   0.354% *  0.0400% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  66  13.50 +/- 1.43   0.340% *  0.0321% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  66  14.57 +/- 1.69   0.279% *  0.0347% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 121  15.64 +/- 5.09   1.209% *  0.0078% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  66  20.21 +/- 2.58   0.103% *  0.0426% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 121  12.34 +/- 1.83   0.575% *  0.0068% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    LYS+  66  24.47 +/- 3.66   0.063% *  0.0572% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HD2   LYS+ 121  14.54 +/- 2.34   0.384% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 121  18.11 +/- 4.22   0.215% *  0.0078% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  66  19.73 +/- 2.23   0.111% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   LYS+ 121  21.27 +/- 6.68   0.147% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 121  19.65 +/- 4.66   0.189% *  0.0043% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 121  24.96 +/- 3.71   0.073% *  0.0053% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   LYS+ 121  24.06 +/- 3.04   0.068% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 756 (1.51, 1.51, 29.56 ppm):
    2 diagonal assignments:
    *     QD    LYS+  66 - QD    LYS+  66  (1.00)  kept
          HD2   LYS+ 121 - HD2   LYS+ 121  (0.10)  kept
 
    Peak 757 (2.87, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.88, residual support = 118.4:
    * O T QE    LYS+  66 - QD    LYS+  66   2.10 +/- 0.03  96.380% * 99.4957% (1.00  10.0 10.00   3.88 118.45) =  99.997%  kept
        T QE    LYS+  66 - HD2   LYS+ 121  14.78 +/- 4.20   0.836% *  0.1237% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - QD    LYS+  66  15.70 +/- 2.74   0.419% *  0.2215% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - QD    LYS+  66  10.48 +/- 1.14   0.917% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QD    LYS+  66  20.69 +/- 4.15   0.318% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD2   LYS+ 121  20.84 +/- 3.87   0.188% *  0.0275% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD2   LYS+ 121  17.34 +/- 5.65   0.829% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD2   LYS+ 121  24.05 +/- 5.62   0.114% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 758 (4.07, 2.87, 42.12 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.37, residual support = 118.4:
    *   T HA    LYS+  66 - QE    LYS+  66   3.76 +/- 0.78  74.300% * 99.7309% (1.00 10.00   4.37 118.45) =  99.985%  kept
        T HA    LYS+  66 - HB2   ASP-  76  16.52 +/- 3.40   4.702% *  0.2073% (0.21 10.00   0.02   0.02) =   0.013%
          HA1   GLY   16 - QE    LYS+  66  15.15 +/- 5.01   6.797% *  0.0135% (0.14  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - HB2   ASP-  76   8.46 +/- 1.04   9.435% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  66  21.37 +/- 3.74   1.069% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QE    LYS+  66  21.44 +/- 2.67   0.674% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   ASP-  76  19.03 +/- 4.44   2.133% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ASP-  76  23.99 +/- 4.26   0.889% *  0.0046% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 759 (1.82, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 0.982, support = 4.57, residual support = 114.8:
    *   T QB    LYS+  66 - QE    LYS+  66   3.21 +/- 0.54  54.702% * 87.4289% (1.00 10.00   4.56 118.45) =  95.873%  kept
          QB    LYS+  65 - QE    LYS+  66   5.91 +/- 1.25  17.305% * 11.8485% (0.57  1.00   4.79  30.70) =   4.110%  kept
        T QB    LYS+  66 - HB2   ASP-  76  14.56 +/- 2.47   1.256% *  0.1818% (0.21 10.00   0.02   0.02) =   0.005%
          HG    LEU  123 - QE    LYS+  66  13.53 +/- 4.96   3.326% *  0.0495% (0.57  1.00   0.02   0.02) =   0.003%
          QB    LYS+  65 - HB2   ASP-  76  12.50 +/- 3.71  10.255% *  0.0103% (0.12  1.00   0.02   0.02) =   0.002%
          HB    VAL   41 - QE    LYS+  66  15.94 +/- 2.18   0.688% *  0.0827% (0.95  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QE    LYS+  66  13.31 +/- 1.53   1.155% *  0.0460% (0.53  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HB2   ASP-  76  15.13 +/- 2.78   3.063% *  0.0172% (0.20  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HB2   ASP-  76  15.17 +/- 4.67   3.099% *  0.0163% (0.19  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QE    LYS+  66  18.55 +/- 3.54   0.406% *  0.0784% (0.90  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - QE    LYS+  66  18.54 +/- 4.14   0.560% *  0.0495% (0.57  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - QE    LYS+  66  20.76 +/- 3.24   0.266% *  0.0730% (0.84  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   ASP-  76  17.49 +/- 3.76   1.145% *  0.0152% (0.17  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  66  21.28 +/- 3.34   0.239% *  0.0601% (0.69  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   ASP-  76  20.03 +/- 4.10   0.889% *  0.0125% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  18.47 +/- 5.02   0.821% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   ASP-  76  16.79 +/- 2.76   0.621% *  0.0096% (0.11  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  22.59 +/- 3.96   0.204% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 5.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 761 (1.44, 2.87, 42.12 ppm):
    24 chemical-shift based assignments, quality = 0.989, support = 3.8, residual support = 116.2:
    * O T QG    LYS+  66 - QE    LYS+  66   2.11 +/- 0.11  72.621% * 65.3723% (1.00  10.0 10.00   3.80 118.45) =  97.835%  kept
        T HG    LEU   67 - QE    LYS+  66   6.88 +/- 1.44   3.330% * 24.5349% (0.38   1.0 10.00   3.93  15.68) =   1.684%  kept
          HB3   LEU   67 - QE    LYS+  66   7.25 +/- 1.04   2.428% *  9.4526% (0.95   1.0  1.00   3.06  15.68) =   0.473%  kept
          QB    ALA   61 - QE    LYS+  66   8.80 +/- 1.58   1.676% *  0.0546% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T QG    LYS+  66 - HB2   ASP-  76  15.06 +/- 2.64   0.376% *  0.1359% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HB2   ASP-  76  10.76 +/- 3.86   4.417% *  0.0114% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - HB2   ASP-  76   7.79 +/- 2.21   4.867% *  0.0088% (0.13   1.0  1.00   0.02   1.34) =   0.001%
        T HG    LEU   67 - HB2   ASP-  76  15.56 +/- 2.70   0.427% *  0.0510% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   ASP-  76  14.34 +/- 3.19   2.949% *  0.0072% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  66  15.23 +/- 3.69   0.500% *  0.0318% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  66  16.57 +/- 4.02   0.395% *  0.0397% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  66  15.45 +/- 1.54   0.221% *  0.0618% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  66  13.70 +/- 1.88   0.341% *  0.0318% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   7.09 +/- 1.47   3.258% *  0.0024% (0.04   1.0  1.00   0.02   1.34) =   0.000%
          HG    LEU   73 - HB2   ASP-  76  11.65 +/- 2.03   0.593% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  66  15.41 +/- 1.46   0.218% *  0.0344% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB2   ASP-  76  15.19 +/- 2.36   0.314% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  66  20.76 +/- 2.48   0.094% *  0.0423% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QE    LYS+  66  24.75 +/- 4.01   0.063% *  0.0567% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   ASP-  76  16.08 +/- 3.64   0.273% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   ASP-  76  22.85 +/- 4.61   0.136% *  0.0118% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB2   ASP-  76  17.60 +/- 3.75   0.232% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  66  20.24 +/- 2.26   0.100% *  0.0114% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HB2   ASP-  76  17.59 +/- 2.15   0.170% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 762 (1.51, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 0.998, support = 3.88, residual support = 117.8:
    * O T QD    LYS+  66 - QE    LYS+  66   2.10 +/- 0.03  82.637% * 85.5766% (1.00  10.0 10.00   3.88 118.45) =  99.309%  kept
          HG2   LYS+  65 - QE    LYS+  66   7.22 +/- 1.43   3.707% * 13.0443% (0.73   1.0  1.00   4.20  30.70) =   0.679%  kept
        T HD2   LYS+ 121 - QE    LYS+  66  14.78 +/- 4.20   0.718% *  0.6852% (0.80   1.0 10.00   0.02   0.02) =   0.007%
          HB3   LYS+ 111 - QE    LYS+  66  19.08 +/- 4.90   1.352% *  0.0484% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  66 - HB2   ASP-  76  15.70 +/- 2.74   0.359% *  0.1779% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HB2   ASP-  76   7.52 +/- 1.79   4.414% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QE    LYS+  66  12.39 +/- 2.55   0.623% *  0.0450% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  66  15.59 +/- 4.55   0.437% *  0.0588% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HB2   ASP-  76  20.84 +/- 3.87   0.160% *  0.1425% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  66  16.10 +/- 2.45   0.285% *  0.0554% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  66  12.79 +/- 1.86   0.484% *  0.0321% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   ASP-  76  13.92 +/- 4.19   1.157% *  0.0129% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   ASP-  76   8.02 +/- 1.25   1.989% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  66  19.35 +/- 4.29   0.211% *  0.0588% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   ASP-  76  11.90 +/- 2.50   0.640% *  0.0115% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB2   ASP-  76  21.36 +/- 4.09   0.349% *  0.0122% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   ASP-  76  19.89 +/- 3.72   0.341% *  0.0122% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   ASP-  76  21.08 +/- 4.47   0.137% *  0.0101% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 763 (2.87, 2.87, 42.12 ppm):
    2 diagonal assignments:
    *     QE    LYS+  66 - QE    LYS+  66  (1.00)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.05)  kept
 
    Peak 764 (4.72, 4.72, 64.19 ppm):
    1 diagonal assignment:
    *     HA    PRO   68 - HA    PRO   68  (1.00)  kept
 
    Peak 765 (2.11, 4.72, 64.19 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 36.3:
    * O T HB2   PRO   68 - HA    PRO   68   2.63 +/- 0.19  98.893% * 98.6006% (0.84  10.0 10.00   2.00  36.33) =  99.995%  kept
        T HB    VAL   24 - HA    PRO   68  21.27 +/- 4.24   0.356% *  1.1778% (1.00   1.0 10.00   0.02   0.02) =   0.004%
          QB    GLN   32 - HA    PRO   68  18.95 +/- 3.00   0.368% *  0.1157% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    PRO   68  21.23 +/- 6.65   0.383% *  0.1059% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 766 (4.72, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 36.3:
    * O T HA    PRO   68 - HB2   PRO   68   2.63 +/- 0.19  99.642% * 99.1920% (0.84  10.0 10.00   2.00  36.33) =  99.997%  kept
        T HA    PRO   68 - HB    VAL   24  21.27 +/- 4.24   0.358% *  0.8080% (0.68   1.0 10.00   0.02   0.02) =   0.003%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 767 (2.11, 2.11, 31.99 ppm):
    2 diagonal assignments:
    *     HB2   PRO   68 - HB2   PRO   68  (0.70)  kept
          HB    VAL   24 - HB    VAL   24  (0.68)  kept
 
    Peak 768 (4.68, 4.68, 53.57 ppm):
    1 diagonal assignment:
    *     HA    ASN   69 - HA    ASN   69  (1.00)  kept
 
    Peak 769 (2.90, 4.68, 53.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 60.7:
    * O T HB2   ASN   69 - HA    ASN   69   2.62 +/- 0.16  94.438% * 99.7955% (1.00  10.0 10.00   3.63  60.69) =  99.998%  kept
          QE    LYS+  66 - HA    ASN   69   9.69 +/- 1.72   2.824% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HA    ASN   69  18.94 +/- 3.72   0.707% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    ASN   69  13.57 +/- 4.02   1.756% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   69  22.58 +/- 4.02   0.275% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (2.81, 4.68, 53.57 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 60.7:
    * O T HB3   ASN   69 - HA    ASN   69   2.74 +/- 0.29  95.275% * 99.7714% (1.00  10.0 10.00   3.31  60.69) =  99.996%  kept
          HB2   PHE   72 - HA    ASN   69   9.94 +/- 1.10   2.797% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+  74 - HA    ASN   69  12.93 +/- 2.22   1.241% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    CYS   50 - HA    ASN   69  19.23 +/- 3.74   0.686% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (4.68, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 60.7:
    * O T HA    ASN   69 - HB2   ASN   69   2.62 +/- 0.16  98.535% * 99.8126% (1.00  10.0 10.00   3.63  60.69) =  99.999%  kept
          HA    HIS   22 - HB2   ASN   69  20.21 +/- 3.56   0.855% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   43 - HB2   ASN   69  14.99 +/- 1.86   0.610% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 772 (2.90, 2.90, 37.49 ppm):
    1 diagonal assignment:
    *     HB2   ASN   69 - HB2   ASN   69  (1.00)  kept
 
    Peak 773 (2.81, 2.90, 37.49 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 60.7:
    * O T HB3   ASN   69 - HB2   ASN   69   1.75 +/- 0.00  99.199% * 99.7714% (1.00  10.0 10.00   3.97  60.69) =  99.999%  kept
          HB2   PHE   72 - HB2   ASN   69  11.08 +/- 1.04   0.443% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASN   69  14.35 +/- 2.13   0.229% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   ASN   69  20.05 +/- 3.82   0.129% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 774 (4.68, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 60.7:
    * O T HA    ASN   69 - HB3   ASN   69   2.74 +/- 0.29  98.559% * 99.8126% (1.00  10.0 10.00   3.31  60.69) =  99.999%  kept
          HA    VAL   43 - HB3   ASN   69  14.86 +/- 1.99   0.829% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS   22 - HB3   ASN   69  20.18 +/- 3.44   0.612% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 775 (2.90, 2.81, 37.49 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 60.7:
    * O T HB2   ASN   69 - HB3   ASN   69   1.75 +/- 0.00  98.807% * 99.7955% (1.00  10.0 10.00   3.97  60.69) = 100.000%  kept
          QE    LYS+  66 - HB3   ASN   69  10.41 +/- 1.65   0.659% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   69  20.10 +/- 3.38   0.142% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   69  14.62 +/- 3.73   0.325% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   69  23.76 +/- 3.73   0.068% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 776 (2.81, 2.81, 37.49 ppm):
    1 diagonal assignment:
    *     HB3   ASN   69 - HB3   ASN   69  (1.00)  kept
 
    Peak 777 (4.01, 4.01, 61.79 ppm):
    3 diagonal assignments:
    *     HA    VAL   70 - HA    VAL   70  (1.00)  kept
          HB2   SER   82 - HB2   SER   82  (0.29)  kept
          HA    SER   48 - HA    SER   48  (0.06)  kept
 
    Peak 778 (2.20, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 0.999, support = 4.31, residual support = 81.0:
    * O T HB    VAL   70 - HA    VAL   70   2.90 +/- 0.18  75.184% * 97.2460% (1.00  10.0 10.00   4.31  81.07) =  99.936%  kept
        T QG    GLN   17 - HA    VAL   70  10.37 +/- 4.25   3.997% *  0.9639% (0.99   1.0 10.00   0.02   0.02) =   0.053%
        T QG    GLN   17 - HB2   SER   82  20.99 +/- 3.75   0.324% *  0.4671% (0.48   1.0 10.00   0.02   0.02) =   0.002%
        T HB    VAL   70 - HA    SER   48  18.66 +/- 3.45   0.581% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T QG    GLN   17 - HA    SER   48  20.06 +/- 5.04   0.564% *  0.2196% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T HB    VAL   70 - HB2   SER   82  22.73 +/- 3.27   0.192% *  0.4712% (0.48   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    VAL   70  14.50 +/- 3.13   0.926% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HB2   SER   82  17.33 +/- 7.18   1.136% *  0.0446% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    SER   48  10.91 +/- 6.04   8.986% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    VAL   70  16.27 +/- 6.52   1.089% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    VAL   70  11.58 +/- 1.48   1.610% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    VAL   70  20.20 +/- 2.16   0.311% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   SER   82  15.78 +/- 3.16   0.715% *  0.0360% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   48  15.93 +/- 2.62   1.018% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   SER   82  12.81 +/- 1.63   1.078% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    VAL   70  16.86 +/- 2.08   0.492% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    SER   48  21.59 +/- 4.99   0.408% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   SER   82  26.42 +/- 7.55   0.848% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   SER   82  24.64 +/- 5.94   0.238% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   48  27.83 +/- 3.98   0.185% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   48  28.01 +/- 4.25   0.120% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 779 (0.86, 4.01, 61.79 ppm):
    18 chemical-shift based assignments, quality = 0.994, support = 4.74, residual support = 77.5:
    * O T QG1   VAL   70 - HA    VAL   70   2.67 +/- 0.31  59.209% * 78.6298% (1.00  10.0 10.00   4.71  81.07) =  92.519%  kept
          QD1   LEU   71 - HA    VAL   70   4.49 +/- 0.96  19.290% * 19.0075% (0.92   1.0  1.00   5.24  33.57) =   7.287%  kept
        T QG1   VAL   18 - HA    VAL   70   8.04 +/- 3.20  11.633% *  0.7707% (0.98   1.0 10.00   0.02   0.02) =   0.178%  kept
        T QG1   VAL   18 - HB2   SER   82  16.77 +/- 2.77   0.378% *  0.3735% (0.47   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LEU   63 - HA    VAL   70   8.52 +/- 1.36   2.665% *  0.0445% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T QD1   LEU  123 - HA    SER   48  18.81 +/- 4.18   0.706% *  0.1654% (0.21   1.0 10.00   0.02   0.02) =   0.002%
        T QG1   VAL   18 - HA    SER   48  14.94 +/- 4.13   0.636% *  0.1756% (0.22   1.0 10.00   0.02   0.02) =   0.002%
        T QG1   VAL   70 - HA    SER   48  16.37 +/- 2.83   0.515% *  0.1791% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T QG1   VAL   70 - HB2   SER   82  19.95 +/- 3.14   0.229% *  0.3810% (0.48   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HA    VAL   70  14.07 +/- 3.88   1.091% *  0.0726% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU  104 - HA    VAL   70  15.11 +/- 5.40   0.805% *  0.0477% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HA    SER   48  18.37 +/- 4.13   1.529% *  0.0165% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HB2   SER   82  20.18 +/- 4.64   0.351% *  0.0352% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    SER   48  16.70 +/- 3.27   0.433% *  0.0101% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   SER   82  25.09 +/- 3.02   0.092% *  0.0352% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   SER   82  22.87 +/- 2.51   0.125% *  0.0216% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   SER   82  24.51 +/- 3.62   0.106% *  0.0231% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    SER   48  24.12 +/- 4.00   0.208% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.03 A, kept.
 
    Peak 780 (0.19, 4.01, 61.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 81.1:
    * O T QG2   VAL   70 - HA    VAL   70   2.26 +/- 0.21  99.016% * 99.2926% (0.80  10.0 10.00   4.00  81.07) =  99.997%  kept
        T QG2   VAL   70 - HA    SER   48  15.54 +/- 2.83   0.729% *  0.2262% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T QG2   VAL   70 - HB2   SER   82  18.26 +/- 3.24   0.255% *  0.4812% (0.39   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 781 (4.01, 2.20, 34.17 ppm):
    18 chemical-shift based assignments, quality = 0.992, support = 4.31, residual support = 80.7:
    * O T HA    VAL   70 - HB    VAL   70   2.90 +/- 0.18  53.507% * 95.1972% (1.00  10.0 10.00   4.31  81.07) =  99.115%  kept
          HA    VAL   18 - QG    GLN   17   4.81 +/- 0.78  14.259% *  2.7235% (0.13   1.0  1.00   4.48  50.04) =   0.756%  kept
          HA1   GLY   16 - QG    GLN   17   5.24 +/- 0.54  10.393% *  0.5044% (0.04   1.0  1.00   2.88  17.13) =   0.102%  kept
        T HA    VAL   70 - QG    GLN   17  10.37 +/- 4.25   2.753% *  0.1768% (0.19   1.0 10.00   0.02   0.02) =   0.009%
          HA    VAL   18 - HB    VAL   70   8.83 +/- 3.79   5.719% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.007%
        T HA    SER   48 - HB    VAL   70  18.66 +/- 3.45   0.416% *  0.2374% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          HB2   SER   37 - HB    VAL   70  11.40 +/- 2.35   1.835% *  0.0463% (0.49   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   SER   82 - HB    VAL   70  22.73 +/- 3.27   0.137% *  0.5774% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN  116 - HB    VAL   70  15.66 +/- 2.65   0.545% *  0.0952% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG    GLN   17  12.68 +/- 3.64   3.232% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - HB    VAL   70  11.56 +/- 4.87   2.401% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - HB    VAL   70  15.43 +/- 2.22   0.438% *  0.0826% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   SER   82 - QG    GLN   17  20.99 +/- 3.75   0.231% *  0.1073% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    GLN   17  11.72 +/- 4.18   2.406% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   70  17.47 +/- 1.74   0.276% *  0.0691% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG    GLN   17  20.06 +/- 5.04   0.392% *  0.0441% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    GLN   17  14.88 +/- 2.63   0.750% *  0.0128% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    GLN   17  19.60 +/- 4.04   0.310% *  0.0177% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 782 (2.20, 2.20, 34.17 ppm):
    2 diagonal assignments:
    *     HB    VAL   70 - HB    VAL   70  (1.00)  kept
          QG    GLN   17 - QG    GLN   17  (0.18)  kept
 
    Peak 783 (0.86, 2.20, 34.17 ppm):
    12 chemical-shift based assignments, quality = 0.994, support = 5.13, residual support = 80.3:
    * O T QG1   VAL   70 - HB    VAL   70   2.13 +/- 0.01  69.036% * 76.8220% (1.00  10.0 10.00   5.13  81.07) =  98.258%  kept
          QD1   LEU   71 - HB    VAL   70   6.35 +/- 0.82   3.183% * 19.6607% (0.92   1.0  1.00   5.54  33.57) =   1.159%  kept
          QG1   VAL   18 - QG    GLN   17   4.95 +/- 0.96   9.836% *  3.0953% (0.18   1.0  1.00   4.43  50.04) =   0.564%  kept
          QG1   VAL   18 - HB    VAL   70   7.47 +/- 3.03   4.284% *  0.0753% (0.98   1.0  1.00   0.02   0.02) =   0.006%
        T QG1   VAL   70 - QG    GLN   17   9.24 +/- 3.22   2.148% *  0.1427% (0.19   1.0 10.00   0.02   0.02) =   0.006%
          HB3   LEU   63 - HB    VAL   70   6.13 +/- 1.67   5.131% *  0.0435% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU  123 - HB    VAL   70  12.68 +/- 3.73   0.773% *  0.0709% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QG    GLN   17   7.91 +/- 4.08   3.426% *  0.0132% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB    VAL   70  14.79 +/- 4.96   0.545% *  0.0466% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG    GLN   17  15.40 +/- 4.08   0.534% *  0.0132% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG    GLN   17  12.34 +/- 3.05   0.607% *  0.0081% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG    GLN   17  17.82 +/- 4.99   0.497% *  0.0087% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 784 (0.19, 2.20, 34.17 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 81.1:
    * O T QG2   VAL   70 - HB    VAL   70   2.11 +/- 0.02  97.554% * 99.8146% (0.80  10.0 10.00   4.31  81.07) =  99.995%  kept
        T QG2   VAL   70 - QG    GLN   17   9.24 +/- 3.15   2.446% *  0.1854% (0.15   1.0 10.00   0.02   0.02) =   0.005%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 785 (4.01, 0.86, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.71, residual support = 81.0:
    * O T HA    VAL   70 - QG1   VAL   70   2.67 +/- 0.31  77.676% * 98.1637% (1.00  10.0 10.00   4.71  81.07) =  99.918%  kept
        T HA    VAL   18 - QG1   VAL   70   8.16 +/- 2.99   8.059% *  0.6743% (0.69   1.0 10.00   0.02   0.02) =   0.071%
        T HB2   SER   82 - QG1   VAL   70  19.95 +/- 3.14   0.290% *  0.5954% (0.61   1.0 10.00   0.02   0.02) =   0.002%
        T HA    SER   48 - QG1   VAL   70  16.37 +/- 2.83   0.649% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          HB2   SER   37 - QG1   VAL   70   9.75 +/- 2.06   3.120% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY   16 - QG1   VAL   70   9.92 +/- 4.02   7.635% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN  116 - QG1   VAL   70  13.07 +/- 2.42   0.986% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG1   VAL   70  13.26 +/- 1.96   0.938% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - QG1   VAL   70  15.19 +/- 1.92   0.646% *  0.0713% (0.73   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 786 (2.20, 0.86, 24.07 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.13, residual support = 81.0:
    * O T HB    VAL   70 - QG1   VAL   70   2.13 +/- 0.01  93.945% * 98.7774% (1.00  10.0 10.00   5.13  81.07) =  99.967%  kept
        T QG    GLN   17 - QG1   VAL   70   9.24 +/- 3.22   2.947% *  0.9790% (0.99   1.0 10.00   0.02   0.02) =   0.031%
          HB2   MET   96 - QG1   VAL   70  11.83 +/- 2.94   0.905% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - QG1   VAL   70  17.65 +/- 2.30   0.223% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG1   VAL   70  11.13 +/- 1.98   0.967% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG1   VAL   70  14.47 +/- 4.85   0.589% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG1   VAL   70  13.70 +/- 1.61   0.423% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 787 (0.86, 0.86, 24.07 ppm):
    1 diagonal assignment:
    *     QG1   VAL   70 - QG1   VAL   70  (1.00)  kept
 
    Peak 788 (0.19, 0.86, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.71, residual support = 81.1:
    * O T QG2   VAL   70 - QG1   VAL   70   2.06 +/- 0.06 100.000% *100.0000% (0.80  10.0 10.00   4.71  81.07) = 100.000%  kept
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 789 (4.01, 0.19, 22.28 ppm):
    9 chemical-shift based assignments, quality = 0.536, support = 3.99, residual support = 80.9:
    * O T HA    VAL   70 - QG2   VAL   70   2.26 +/- 0.21  78.917% * 97.3326% (0.54  10.0 10.00   4.00  81.07) =  99.842%  kept
          HA    VAL   18 - QG2   VAL   70   7.53 +/- 3.24   7.465% *  1.5152% (0.37   1.0  1.00   0.45   0.02) =   0.147%  kept
          HB2   SER   37 - QG2   VAL   70   8.53 +/- 1.92   8.099% *  0.0474% (0.26   1.0  1.00   0.02   0.02) =   0.005%
        T HA    SER   48 - QG2   VAL   70  15.54 +/- 2.83   0.584% *  0.2427% (0.13   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   SER   82 - QG2   VAL   70  18.26 +/- 3.24   0.204% *  0.5904% (0.33   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN  116 - QG2   VAL   70  13.28 +/- 2.42   0.747% *  0.0973% (0.54   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - QG2   VAL   70   9.83 +/- 3.77   2.941% *  0.0193% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG2   VAL   70  11.90 +/- 1.59   0.657% *  0.0844% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - QG2   VAL   70  13.67 +/- 1.10   0.384% *  0.0707% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 790 (2.20, 0.19, 22.28 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 4.31, residual support = 81.0:
    * O T HB    VAL   70 - QG2   VAL   70   2.11 +/- 0.02  93.436% * 98.7774% (0.54  10.0 10.00   4.31  81.07) =  99.973%  kept
        T QG    GLN   17 - QG2   VAL   70   9.24 +/- 3.15   2.343% *  0.9790% (0.53   1.0 10.00   0.02   0.02) =   0.025%
          HB2   MET   96 - QG2   VAL   70  10.16 +/- 2.79   1.523% *  0.0755% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QG2   VAL   70  12.98 +/- 4.76   0.878% *  0.0305% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG2   VAL   70  10.08 +/- 1.53   1.132% *  0.0195% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG2   VAL   70  16.34 +/- 1.17   0.221% *  0.0934% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   VAL   70  12.84 +/- 1.18   0.468% *  0.0246% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 791 (0.86, 0.19, 22.28 ppm):
    6 chemical-shift based assignments, quality = 0.535, support = 4.72, residual support = 79.7:
    * O T QG1   VAL   70 - QG2   VAL   70   2.06 +/- 0.06  71.364% * 77.1502% (0.54  10.0 10.00   4.71  81.07) =  97.320%  kept
          QD1   LEU   71 - QG2   VAL   70   5.21 +/- 0.79   6.049% * 21.0060% (0.50   1.0  1.00   5.90  33.57) =   2.246%  kept
          QG1   VAL   18 - QG2   VAL   70   6.48 +/- 2.63  14.351% *  1.6821% (0.53   1.0  1.00   0.44   0.02) =   0.427%  kept
          HB3   LEU   63 - QG2   VAL   70   5.77 +/- 1.43   5.983% *  0.0437% (0.30   1.0  1.00   0.02   0.02) =   0.005%
          QD1   LEU  123 - QG2   VAL   70  11.04 +/- 3.33   1.196% *  0.0712% (0.50   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU  104 - QG2   VAL   70  11.17 +/- 4.38   1.056% *  0.0468% (0.33   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 792 (0.19, 0.19, 22.28 ppm):
    1 diagonal assignment:
    *     QG2   VAL   70 - QG2   VAL   70  (0.43)  kept
 
    Peak 793 (4.65, 4.65, 54.05 ppm):
    1 diagonal assignment:
    *     HA    LEU   71 - HA    LEU   71  (1.00)  kept
 
    Peak 794 (1.80, 4.65, 54.05 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 139.0:
    * O T HB2   LEU   71 - HA    LEU   71   2.85 +/- 0.26  79.733% * 99.5520% (1.00  10.0 10.00   5.31 139.00) =  99.984%  kept
          HB3   GLN   17 - HA    LEU   71   9.13 +/- 4.99   7.246% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.006%
          QB    LYS+  65 - HA    LEU   71   9.05 +/- 1.49   3.611% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.005%
          HB    VAL   41 - HA    LEU   71   8.65 +/- 2.01   4.976% *  0.0340% (0.34   1.0  1.00   0.02   0.79) =   0.002%
          QB    LYS+  66 - HA    LEU   71   9.44 +/- 1.01   2.557% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   93 - HA    LEU   71  19.93 +/- 3.45   0.792% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HA    LEU   71  17.91 +/- 3.84   0.471% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HA    LEU   71  16.58 +/- 3.48   0.614% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (1.20, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 139.0:
    * O T HB3   LEU   71 - HA    LEU   71   2.56 +/- 0.17  98.076% * 99.6783% (1.00  10.0 10.00   4.31 139.00) =  99.999%  kept
          QG2   THR   94 - HA    LEU   71  14.48 +/- 1.54   0.634% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    LEU   71  21.59 +/- 4.65   0.386% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    LEU   71  21.81 +/- 4.37   0.362% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LEU   71  18.14 +/- 2.25   0.357% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LEU   71  23.69 +/- 3.86   0.184% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (0.86, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 0.993, support = 4.22, residual support = 129.5:
    *   T QD1   LEU   71 - HA    LEU   71   3.67 +/- 0.43  46.185% * 81.8094% (1.00 10.00   4.17 139.00) =  90.963%  kept
          QG1   VAL   70 - HA    LEU   71   5.17 +/- 0.75  20.800% * 17.9442% (0.92  1.00   4.75  33.57) =   8.986%  kept
          QG1   VAL   18 - HA    LEU   71   6.13 +/- 3.46  27.262% *  0.0683% (0.84  1.00   0.02   0.02) =   0.045%
          HB3   LEU   63 - HA    LEU   71   9.11 +/- 1.40   4.020% *  0.0279% (0.34  1.00   0.02   0.02) =   0.003%
          QD1   LEU  123 - HA    LEU   71  14.65 +/- 3.09   1.099% *  0.0818% (1.00  1.00   0.02   0.02) =   0.002%
          HB3   LEU  104 - HA    LEU   71  16.86 +/- 3.76   0.634% *  0.0683% (0.84  1.00   0.02   0.02) =   0.001%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 797 (0.96, 4.65, 54.05 ppm):
    7 chemical-shift based assignments, quality = 0.996, support = 4.97, residual support = 137.9:
    *   T QD2   LEU   71 - HA    LEU   71   2.44 +/- 0.53  64.250% * 97.8594% (1.00 10.00   5.00 139.00) =  99.219%  kept
          QD1   LEU   67 - HA    LEU   71   4.95 +/- 1.91  27.302% *  1.7970% (0.45  1.00   0.82   0.02) =   0.774%  kept
          QD2   LEU   40 - HA    LEU   71   7.13 +/- 1.08   5.597% *  0.0402% (0.41  1.00   0.02   1.45) =   0.004%
          HG3   LYS+  74 - HA    LEU   71  11.22 +/- 1.48   1.232% *  0.0672% (0.69  1.00   0.02   0.28) =   0.001%
          QG2   ILE  119 - HA    LEU   71  14.03 +/- 2.39   0.590% *  0.0849% (0.87  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HA    LEU   71  15.02 +/- 3.08   0.467% *  0.0959% (0.98  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    LEU   71  14.57 +/- 2.75   0.562% *  0.0554% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 5.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 798 (4.65, 1.80, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 139.0:
    * O T HA    LEU   71 - HB2   LEU   71   2.85 +/- 0.26  92.669% * 99.9402% (1.00  10.0 10.00   5.31 139.00) =  99.998%  kept
          HA    ALA   20 - HB2   LEU   71  10.85 +/- 2.47   3.687% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   43 - HB2   LEU   71  11.06 +/- 2.03   3.644% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 799 (1.80, 1.80, 44.15 ppm):
    1 diagonal assignment:
    *     HB2   LEU   71 - HB2   LEU   71  (1.00)  kept
 
    Peak 800 (1.20, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 139.0:
    * O T HB3   LEU   71 - HB2   LEU   71   1.75 +/- 0.00  99.245% * 99.6783% (1.00  10.0 10.00   4.97 139.00) =  99.999%  kept
          HD2   LYS+ 112 - HB2   LEU   71  23.28 +/- 5.23   0.199% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   94 - HB2   LEU   71  15.34 +/- 2.23   0.193% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB2   LEU   71  23.41 +/- 5.00   0.189% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LEU   71  18.98 +/- 3.19   0.114% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LEU   71  24.93 +/- 4.53   0.062% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 801 (0.86, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 5.09, residual support = 137.6:
    * O T QD1   LEU   71 - HB2   LEU   71   2.24 +/- 0.18  85.696% * 80.0402% (1.00  10.0 10.00   5.09 139.00) =  98.670%  kept
          QG1   VAL   70 - HB2   LEU   71   6.15 +/- 0.47   4.656% * 19.7188% (0.92   1.0  1.00   5.34  33.57) =   1.321%  kept
          QG1   VAL   18 - HB2   LEU   71   7.83 +/- 3.14   8.114% *  0.0669% (0.84   1.0  1.00   0.02   0.02) =   0.008%
          QD1   LEU  123 - HB2   LEU   71  15.85 +/- 3.35   0.415% *  0.0800% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU   71  16.87 +/- 4.37   0.348% *  0.0669% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU   71  11.17 +/- 1.18   0.771% *  0.0273% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 802 (0.96, 1.80, 44.15 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 5.41, residual support = 138.4:
    * O T QD2   LEU   71 - HB2   LEU   71   3.12 +/- 0.20  71.729% * 97.4337% (1.00  10.0 10.00   5.43 139.00) =  99.596%  kept
          QD1   LEU   67 - HB2   LEU   71   6.87 +/- 1.62  12.535% *  1.7892% (0.45   1.0  1.00   0.82   0.02) =   0.320%  kept
          QD2   LEU   40 - HB2   LEU   71   6.69 +/- 1.40  11.924% *  0.4750% (0.41   1.0  1.00   0.24   1.45) =   0.081%
          QD1   ILE  103 - HB2   LEU   71  14.97 +/- 3.44   0.945% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HB2   LEU   71  15.39 +/- 2.62   0.831% *  0.0845% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HB2   LEU   71  13.46 +/- 1.38   1.000% *  0.0669% (0.69   1.0  1.00   0.02   0.28) =   0.001%
          QG2   ILE  103 - HB2   LEU   71  14.70 +/- 3.14   1.037% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 803 (4.65, 1.20, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 139.0:
    * O T HA    LEU   71 - HB3   LEU   71   2.56 +/- 0.17  92.483% * 99.9402% (1.00  10.0 10.00   4.31 139.00) =  99.997%  kept
          HA    ALA   20 - HB3   LEU   71   9.84 +/- 2.71   5.484% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   43 - HB3   LEU   71  11.16 +/- 1.87   2.033% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 804 (1.80, 1.20, 44.15 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 139.0:
    * O T HB2   LEU   71 - HB3   LEU   71   1.75 +/- 0.00  94.396% * 99.3538% (1.00  10.0 10.00   4.97 139.00) =  99.996%  kept
          HB3   GLN   17 - HB3   LEU   71   9.23 +/- 5.30   2.607% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  65 - HB3   LEU   71  10.95 +/- 1.78   0.535% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HB3   LEU   71   8.83 +/- 2.41   1.510% *  0.0339% (0.34   1.0  1.00   0.02   0.79) =   0.001%
        T HG12  ILE  103 - HB3   LEU   71  17.05 +/- 3.86   0.150% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   LEU   71  21.32 +/- 4.28   0.298% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   LEU   71  11.38 +/- 1.07   0.378% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   LEU   71  18.03 +/- 4.33   0.125% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 805 (1.20, 1.20, 44.15 ppm):
    1 diagonal assignment:
    *     HB3   LEU   71 - HB3   LEU   71  (1.00)  kept
 
    Peak 806 (0.86, 1.20, 44.15 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 3.87, residual support = 137.3:
    * O T QD1   LEU   71 - HB3   LEU   71   2.69 +/- 0.33  76.553% * 81.7770% (1.00  10.0 10.00   3.86 139.00) =  98.356%  kept
          QG1   VAL   70 - HB3   LEU   71   6.60 +/- 0.66   5.755% * 17.9767% (0.92   1.0  1.00   4.76  33.57) =   1.625%  kept
          QG1   VAL   18 - HB3   LEU   71   7.16 +/- 3.12  15.399% *  0.0683% (0.84   1.0  1.00   0.02   0.02) =   0.017%
          QD1   LEU  123 - HB3   LEU   71  16.05 +/- 3.18   0.576% *  0.0818% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB3   LEU   71  11.27 +/- 1.19   1.316% *  0.0279% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB3   LEU   71  17.62 +/- 4.08   0.402% *  0.0683% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 807 (0.96, 1.20, 44.15 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 4.42, residual support = 138.7:
    * O T QD2   LEU   71 - HB3   LEU   71   2.44 +/- 0.27  82.290% * 97.8594% (1.00  10.0 10.00   4.43 139.00) =  99.771%  kept
          QD1   LEU   67 - HB3   LEU   71   6.75 +/- 1.76  10.072% *  1.7970% (0.45   1.0  1.00   0.82   0.02) =   0.224%  kept
          QD2   LEU   40 - HB3   LEU   71   7.54 +/- 1.30   5.263% *  0.0402% (0.41   1.0  1.00   0.02   1.45) =   0.003%
          QD1   ILE  103 - HB3   LEU   71  15.34 +/- 3.35   0.568% *  0.0959% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HB3   LEU   71  12.79 +/- 1.33   0.759% *  0.0672% (0.69   1.0  1.00   0.02   0.28) =   0.001%
          QG2   ILE  119 - HB3   LEU   71  15.53 +/- 2.49   0.473% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB3   LEU   71  15.17 +/- 2.95   0.574% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 808 (4.65, 0.86, 26.50 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.17, residual support = 139.0:
    *   T HA    LEU   71 - QD1   LEU   71   3.67 +/- 0.43  86.573% * 99.9402% (1.00 10.00   4.17 139.00) =  99.995%  kept
          HA    ALA   20 - QD1   LEU   71  10.32 +/- 2.16   6.661% *  0.0375% (0.38  1.00   0.02   0.02) =   0.003%
          HA    VAL   43 - QD1   LEU   71  10.86 +/- 1.84   6.766% *  0.0223% (0.22  1.00   0.02   0.02) =   0.002%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 809 (1.80, 0.86, 26.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.09, residual support = 139.0:
    * O T HB2   LEU   71 - QD1   LEU   71   2.24 +/- 0.18  85.491% * 99.5520% (1.00  10.0 10.00   5.09 139.00) =  99.990%  kept
          HB3   GLN   17 - QD1   LEU   71   8.64 +/- 4.53   6.240% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.005%
          HB    VAL   41 - QD1   LEU   71   8.61 +/- 2.10   4.466% *  0.0340% (0.34   1.0  1.00   0.02   0.79) =   0.002%
          QB    LYS+  65 - QD1   LEU   71   9.95 +/- 1.58   1.253% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QD1   LEU   71   9.90 +/- 1.07   1.148% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QD1   LEU   71  15.37 +/- 4.02   0.452% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QD1   LEU   71  19.01 +/- 4.07   0.475% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU   71  15.08 +/- 3.56   0.475% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 810 (1.20, 0.86, 26.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 139.0:
    * O T HB3   LEU   71 - QD1   LEU   71   2.69 +/- 0.33  95.711% * 99.6783% (1.00  10.0 10.00   3.86 139.00) =  99.997%  kept
          HD2   LYS+ 112 - QD1   LEU   71  20.33 +/- 4.86   1.303% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - QD1   LEU   71  20.46 +/- 4.68   1.085% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   94 - QD1   LEU   71  13.99 +/- 2.21   0.980% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - QD1   LEU   71  17.26 +/- 3.01   0.542% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   LEU   71  21.86 +/- 4.46   0.379% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 811 (0.86, 0.86, 26.50 ppm):
    1 diagonal assignment:
    *     QD1   LEU   71 - QD1   LEU   71  (1.00)  kept
 
    Peak 812 (0.96, 0.86, 26.50 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 4.29, residual support = 138.7:
    * O T QD2   LEU   71 - QD1   LEU   71   2.05 +/- 0.08  87.861% * 96.1081% (1.00  10.0 10.00   4.29 139.00) =  99.778%  kept
          QD2   LEU   40 - QD1   LEU   71   6.40 +/- 1.50   5.440% *  1.8290% (0.41   1.0  1.00   0.93   1.45) =   0.118%  kept
          QD1   LEU   67 - QD1   LEU   71   6.40 +/- 1.41   4.958% *  1.7648% (0.45   1.0  1.00   0.82   0.02) =   0.103%  kept
          QD1   ILE  103 - QD1   LEU   71  13.54 +/- 2.95   0.443% *  0.0942% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD1   LEU   71  13.47 +/- 2.06   0.412% *  0.0834% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   LEU   71  12.60 +/- 1.28   0.426% *  0.0660% (0.69   1.0  1.00   0.02   0.28) =   0.000%
          QG2   ILE  103 - QD1   LEU   71  13.28 +/- 2.59   0.460% *  0.0544% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 813 (4.65, 0.96, 23.45 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 139.0:
    *   T HA    LEU   71 - QD2   LEU   71   2.44 +/- 0.53  89.264% * 99.9402% (1.00 10.00   5.00 139.00) =  99.997%  kept
          HA    ALA   20 - QD2   LEU   71   8.68 +/- 2.11   4.736% *  0.0375% (0.38  1.00   0.02   0.02) =   0.002%
          HA    VAL   43 - QD2   LEU   71   9.89 +/- 1.99   6.000% *  0.0223% (0.22  1.00   0.02   0.02) =   0.001%
    Distance limit 3.23 A violated in 0 structures by 0.02 A, kept.
 
    Peak 814 (1.80, 0.96, 23.45 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.43, residual support = 138.9:
    * O T HB2   LEU   71 - QD2   LEU   71   3.12 +/- 0.20  63.722% * 99.3538% (1.00  10.0 10.00   5.43 139.00) =  99.961%  kept
          HB3   GLN   17 - QD2   LEU   71   7.80 +/- 4.51  18.667% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.019%
          QB    LYS+  65 - QD2   LEU   71   8.63 +/- 1.91   5.610% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.009%
          QB    LYS+  66 - QD2   LEU   71   8.89 +/- 1.33   3.604% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL   41 - QD2   LEU   71   8.50 +/- 1.95   5.493% *  0.0339% (0.34   1.0  1.00   0.02   0.79) =   0.003%
        T HG12  ILE  103 - QD2   LEU   71  14.90 +/- 3.13   0.776% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.003%
          HG2   PRO   93 - QD2   LEU   71  17.97 +/- 3.50   1.430% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+ 102 - QD2   LEU   71  15.60 +/- 3.41   0.698% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 815 (1.20, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.43, residual support = 139.0:
    * O T HB3   LEU   71 - QD2   LEU   71   2.44 +/- 0.27  96.437% * 99.2790% (1.00  10.0 10.00   4.43 139.00) =  99.996%  kept
        T HG3   LYS+ 111 - QD2   LEU   71  21.07 +/- 3.94   0.300% *  0.4451% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   94 - QD2   LEU   71  13.23 +/- 1.86   1.171% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QD2   LEU   71  19.29 +/- 4.49   0.787% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - QD2   LEU   71  19.47 +/- 4.20   0.626% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD2   LEU   71  16.42 +/- 2.62   0.681% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.03 A, kept.
 
    Peak 816 (0.86, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 4.3, residual support = 137.3:
    * O T QD1   LEU   71 - QD2   LEU   71   2.05 +/- 0.08  76.561% * 81.7839% (1.00  10.0 10.00   4.29 139.00) =  98.354%  kept
          QG1   VAL   70 - QD2   LEU   71   5.37 +/- 0.99   5.768% * 17.9698% (0.92   1.0  1.00   4.76  33.57) =   1.628%  kept
          QG1   VAL   18 - QD2   LEU   71   6.24 +/- 2.76  15.998% *  0.0683% (0.84   1.0  1.00   0.02   0.02) =   0.017%
          QD1   LEU  123 - QD2   LEU   71  13.17 +/- 2.60   0.416% *  0.0818% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QD2   LEU   71   9.23 +/- 1.16   1.006% *  0.0279% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU   71  15.09 +/- 3.23   0.252% *  0.0683% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 817 (0.96, 0.96, 23.45 ppm):
    1 diagonal assignment:
    *     QD2   LEU   71 - QD2   LEU   71  (1.00)  kept
 
    Peak 818 (5.27, 5.27, 56.60 ppm):
    1 diagonal assignment:
    *     HA    PHE   72 - HA    PHE   72  (0.58)  kept
 
    Peak 819 (2.83, 5.27, 56.60 ppm):
    3 chemical-shift based assignments, quality = 0.638, support = 4.02, residual support = 90.0:
    * O T HB2   PHE   72 - HA    PHE   72   2.53 +/- 0.13  93.385% * 93.4063% (0.64  10.0 10.00   4.03  90.14) =  99.593%  kept
          HA    ALA   64 - HA    PHE   72   6.87 +/- 0.57   5.436% *  6.5517% (0.55   1.0  1.00   1.61  46.98) =   0.407%  kept
          HB3   ASN   69 - HA    PHE   72  11.23 +/- 0.69   1.179% *  0.0420% (0.29   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 820 (2.28, 5.27, 56.60 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 4.58, residual support = 90.1:
    * O T HB3   PHE   72 - HA    PHE   72   2.55 +/- 0.11  87.273% * 99.4196% (0.66  10.0 10.00   4.58  90.14) =  99.986%  kept
          HB2   ASP-  44 - HA    PHE   72   8.12 +/- 2.01   7.022% *  0.1084% (0.72   1.0  1.00   0.02   0.02) =   0.009%
          QG    GLU-  15 - HA    PHE   72  11.32 +/- 3.60   1.957% *  0.1136% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU-  14 - HA    PHE   72  13.29 +/- 3.65   1.011% *  0.1058% (0.71   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - HA    PHE   72  17.25 +/- 3.61   0.590% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - HA    PHE   72  15.90 +/- 3.19   0.792% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    PHE   72  19.77 +/- 3.94   0.266% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    PHE   72  12.34 +/- 2.35   1.089% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 821 (5.27, 2.83, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.638, support = 4.03, residual support = 90.1:
    * O T HA    PHE   72 - HB2   PHE   72   2.53 +/- 0.13 100.000% *100.0000% (0.64  10.0 10.00   4.03  90.14) = 100.000%  kept
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 822 (2.83, 2.83, 40.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   72 - HB2   PHE   72  (0.70)  kept
 
    Peak 823 (2.28, 2.83, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.725, support = 4.22, residual support = 90.1:
    * O T HB3   PHE   72 - HB2   PHE   72   1.75 +/- 0.00  95.795% * 99.4196% (0.72  10.0 10.00   4.22  90.14) =  99.996%  kept
          HB2   ASP-  44 - HB2   PHE   72   6.88 +/- 1.58   2.701% *  0.1084% (0.79   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU-  15 - HB2   PHE   72  12.57 +/- 2.88   0.380% *  0.1136% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   PHE   72  14.55 +/- 3.26   0.244% *  0.1058% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   PHE   72  16.41 +/- 3.30   0.202% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   PHE   72  14.64 +/- 2.98   0.341% *  0.0514% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB2   PHE   72  21.11 +/- 3.47   0.069% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   PHE   72  13.54 +/- 2.10   0.268% *  0.0177% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 824 (5.27, 2.28, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 4.58, residual support = 90.1:
    * O T HA    PHE   72 - HB3   PHE   72   2.55 +/- 0.11 100.000% *100.0000% (0.66  10.0 10.00   4.58  90.14) = 100.000%  kept
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 825 (2.83, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.724, support = 4.22, residual support = 90.0:
    * O T HB2   PHE   72 - HB3   PHE   72   1.75 +/- 0.00  96.584% * 88.0537% (0.72  10.0 10.00   4.22  90.14) =  99.588%  kept
          HA    ALA   64 - HB3   PHE   72   5.84 +/- 0.54   2.953% * 11.9068% (0.63   1.0  1.00   3.11  46.98) =   0.412%  kept
          HB3   ASN   69 - HB3   PHE   72  10.62 +/- 0.82   0.463% *  0.0396% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 826 (2.28, 2.28, 40.30 ppm):
    1 diagonal assignment:
    *     HB3   PHE   72 - HB3   PHE   72  (0.75)  kept
 
    Peak 827 (5.57, 5.57, 52.40 ppm):
    1 diagonal assignment:
    *     HA    LEU   73 - HA    LEU   73  (1.00)  kept
 
    Peak 828 (1.70, 5.57, 52.40 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 170.6:
    * O T HB2   LEU   73 - HA    LEU   73   2.39 +/- 0.25  94.724% * 99.4108% (1.00  10.0 10.00   5.00 170.59) =  99.997%  kept
          QD    LYS+  99 - HA    LEU   73  15.32 +/- 3.16   0.566% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HA    LEU   73  14.84 +/- 2.21   0.535% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HA    LEU   73  17.22 +/- 3.13   0.824% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HA    LEU   73  13.69 +/- 3.11   1.467% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU   73  17.05 +/- 2.54   0.459% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LEU   73  20.46 +/- 4.16   0.506% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU   73  23.22 +/- 3.28   0.167% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU   73  18.72 +/- 2.78   0.327% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LEU   73  16.48 +/- 2.78   0.427% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 829 (1.38, 5.57, 52.40 ppm):
    15 chemical-shift based assignments, quality = 0.994, support = 5.23, residual support = 169.2:
    * O T HB3   LEU   73 - HA    LEU   73   2.73 +/- 0.25  68.685% * 93.5123% (1.00  10.0 10.00   5.25 170.59) =  99.022%  kept
          HB3   LYS+  74 - HA    LEU   73   4.87 +/- 0.38  13.838% *  3.5990% (0.18   1.0  1.00   4.40  42.48) =   0.768%  kept
          HB    VAL   42 - HA    LEU   73   8.34 +/- 1.75   5.834% *  2.2178% (0.99   1.0  1.00   0.48   0.49) =   0.199%  kept
          HG3   LYS+  33 - HA    LEU   73  10.90 +/- 2.60   2.527% *  0.0902% (0.97   1.0  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  65 - HA    LEU   73  10.48 +/- 2.25   1.935% *  0.0927% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PRO   93 - HA    LEU   73  15.33 +/- 2.94   1.709% *  0.0351% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    LEU   73  15.69 +/- 2.14   0.485% *  0.0863% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    LEU   73  15.84 +/- 3.48   0.669% *  0.0605% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    LEU   73  12.41 +/- 2.34   1.096% *  0.0351% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HA    LEU   73  20.77 +/- 3.49   0.363% *  0.0933% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    LEU   73  20.22 +/- 4.25   0.341% *  0.0917% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   73  12.88 +/- 1.69   0.901% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   73  13.91 +/- 2.77   0.791% *  0.0233% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LEU   73  17.81 +/- 3.78   0.459% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   73  19.67 +/- 3.65   0.369% *  0.0164% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 830 (0.58, 5.57, 52.40 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 4.81, residual support = 163.6:
    *   T QD1   LEU   73 - HA    LEU   73   3.76 +/- 0.47  59.868% * 83.7953% (1.00 10.00   5.00 170.59) =  95.894%  kept
        T QD1   LEU   63 - HA    LEU   73   8.84 +/- 2.02  13.763% * 13.8334% (1.00 10.00   0.33   0.02) =   3.639%  kept
          QD2   LEU   63 - HA    LEU   73   9.19 +/- 2.17  13.099% *  1.7451% (0.57  1.00   0.74   0.02) =   0.437%  kept
        T QD1   LEU  104 - HA    LEU   73  13.13 +/- 2.65   1.992% *  0.4744% (0.57 10.00   0.02   0.02) =   0.018%
          QD2   LEU   80 - HA    LEU   73  11.06 +/- 3.48   5.923% *  0.0671% (0.80  1.00   0.02   0.02) =   0.008%
          QD2   LEU  115 - HA    LEU   73  13.41 +/- 3.05   2.114% *  0.0700% (0.84  1.00   0.02   0.02) =   0.003%
          QG1   VAL   83 - HA    LEU   73  11.56 +/- 2.50   3.241% *  0.0147% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 4.00 A violated in 0 structures by 0.02 A, kept.
 
    Peak 831 (0.78, 5.57, 52.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 170.6:
    *   T QD2   LEU   73 - HA    LEU   73   2.88 +/- 0.59  75.984% * 99.4036% (1.00 10.00   6.18 170.59) =  99.983%  kept
          QG1   VAL   41 - HA    LEU   73   7.86 +/- 2.24  10.661% *  0.0446% (0.45  1.00   0.02   0.02) =   0.006%
          HG    LEU   31 - HA    LEU   73   9.36 +/- 1.46   3.124% *  0.0959% (0.97  1.00   0.02   1.88) =   0.004%
          QG1   VAL   43 - HA    LEU   73   7.88 +/- 2.12   8.170% *  0.0276% (0.28  1.00   0.02   2.38) =   0.003%
          QD1   ILE   56 - HA    LEU   73  13.43 +/- 2.94   1.649% *  0.0891% (0.90  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 121 - HA    LEU   73  18.57 +/- 3.86   0.412% *  0.3391% (0.34 10.00   0.02   0.02) =   0.002%
    Distance limit 2.99 A violated in 0 structures by 0.21 A, kept.
 
    Peak 832 (5.57, 1.70, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 170.6:
    * O T HA    LEU   73 - HB2   LEU   73   2.39 +/- 0.25 100.000% *100.0000% (1.00  10.0 10.00   5.00 170.59) = 100.000%  kept
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 833 (1.70, 1.70, 46.21 ppm):
    1 diagonal assignment:
    *     HB2   LEU   73 - HB2   LEU   73  (1.00)  kept
 
    Peak 834 (1.38, 1.70, 46.21 ppm):
    15 chemical-shift based assignments, quality = 0.998, support = 5.24, residual support = 170.0:
    * O T HB3   LEU   73 - HB2   LEU   73   1.75 +/- 0.00  85.846% * 90.2777% (1.00  10.0 10.00   5.25 170.59) =  99.635%  kept
          HB    VAL   42 - HB2   LEU   73   9.12 +/- 2.07   6.791% *  2.1411% (0.99   1.0  1.00   0.48   0.49) =   0.187%  kept
          HB3   LYS+  74 - HB2   LEU   73   5.29 +/- 0.59   3.543% *  3.4784% (0.18   1.0  1.00   4.40  42.48) =   0.158%  kept
        T HG3   LYS+  33 - HB2   LEU   73  10.97 +/- 2.92   0.566% *  0.8712% (0.97   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+  65 - HB2   LEU   73  11.70 +/- 2.13   0.376% *  0.8948% (0.99   1.0 10.00   0.02   0.02) =   0.004%
        T HB3   PRO   93 - HB2   LEU   73  15.64 +/- 3.27   0.976% *  0.3388% (0.38   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 106 - HB2   LEU   73  15.52 +/- 2.66   0.176% *  0.8334% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 102 - HB2   LEU   73  20.41 +/- 3.91   0.152% *  0.9008% (1.00   1.0 10.00   0.02   0.02) =   0.002%
          QB    LEU   98 - HB2   LEU   73  12.21 +/- 2.81   0.399% *  0.0339% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   LEU   73  16.36 +/- 3.80   0.231% *  0.0584% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   LEU   73  20.71 +/- 4.54   0.117% *  0.0885% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LEU   73  12.56 +/- 1.33   0.280% *  0.0308% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LEU   73  13.64 +/- 3.30   0.301% *  0.0225% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   LEU   73  18.45 +/- 4.34   0.150% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LEU   73  20.44 +/- 3.90   0.096% *  0.0158% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 835 (0.58, 1.70, 46.21 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 4.9, residual support = 167.2:
    * O T QD1   LEU   73 - HB2   LEU   73   2.39 +/- 0.37  82.192% * 73.8076% (1.00  10.0 10.00   4.98 170.59) =  97.999%  kept
        T QD1   LEU   63 - HB2   LEU   73   9.85 +/- 2.23   4.801% * 24.9992% (1.00   1.0 10.00   0.68   0.02) =   1.939%  kept
          QD2   LEU   63 - HB2   LEU   73  10.24 +/- 2.53   4.868% *  0.6416% (0.57   1.0  1.00   0.31   0.02) =   0.050%
        T QD1   LEU  104 - HB2   LEU   73  13.20 +/- 3.10   0.822% *  0.4179% (0.57   1.0 10.00   0.02   0.02) =   0.006%
          QD2   LEU   80 - HB2   LEU   73  10.55 +/- 3.71   3.819% *  0.0591% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU  115 - HB2   LEU   73  13.86 +/- 3.55   1.824% *  0.0616% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HB2   LEU   73  10.84 +/- 2.56   1.674% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 836 (0.78, 1.70, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 6.17, residual support = 170.2:
    * O T QD2   LEU   73 - HB2   LEU   73   2.86 +/- 0.37  74.990% * 96.8739% (1.00  10.0 10.00   6.18 170.59) =  99.782%  kept
          QG1   VAL   43 - HB2   LEU   73   7.81 +/- 2.43   7.660% *  1.7899% (0.28   1.0  1.00   1.33   2.38) =   0.188%  kept
        T QD1   ILE   56 - HB2   LEU   73  13.97 +/- 3.32   1.314% *  0.8688% (0.90   1.0 10.00   0.02   0.02) =   0.016%
          QG1   VAL   41 - HB2   LEU   73   8.30 +/- 2.68  10.989% *  0.0434% (0.45   1.0  1.00   0.02   0.02) =   0.007%
          HG    LEU   31 - HB2   LEU   73   8.84 +/- 2.27   4.671% *  0.0935% (0.97   1.0  1.00   0.02   1.88) =   0.006%
        T HG3   LYS+ 121 - HB2   LEU   73  19.23 +/- 4.40   0.376% *  0.3304% (0.34   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 837 (5.57, 1.38, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.25, residual support = 170.6:
    * O T HA    LEU   73 - HB3   LEU   73   2.73 +/- 0.25 100.000% *100.0000% (1.00  10.0 10.00   5.25 170.59) = 100.000%  kept
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 838 (1.70, 1.38, 46.21 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.25, residual support = 170.6:
    * O T HB2   LEU   73 - HB3   LEU   73   1.75 +/- 0.00  97.374% * 98.2609% (1.00  10.0 10.00   5.25 170.59) =  99.997%  kept
        T QD    LYS+ 102 - HB3   LEU   73  17.88 +/- 3.21   0.159% *  0.4040% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HB3   LEU   73  22.95 +/- 3.83   0.065% *  0.8812% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HB3   LEU   73  14.94 +/- 3.41   0.363% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU   73  16.83 +/- 3.42   0.496% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU   73  13.89 +/- 2.97   0.287% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB3   LEU   73  13.98 +/- 3.44   0.694% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU   73  16.54 +/- 2.82   0.197% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LEU   73  21.18 +/- 4.08   0.126% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   LEU   73  15.92 +/- 3.12   0.238% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 839 (1.38, 1.38, 46.21 ppm):
    1 diagonal assignment:
    *     HB3   LEU   73 - HB3   LEU   73  (1.00)  kept
 
    Peak 840 (0.58, 1.38, 46.21 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 5.11, residual support = 168.1:
    * O T QD1   LEU   73 - HB3   LEU   73   2.41 +/- 0.24  82.045% * 73.8804% (1.00  10.0 10.00   5.18 170.59) =  98.559%  kept
        T QD1   LEU   63 - HB3   LEU   73   9.68 +/- 1.94   3.385% * 24.9932% (1.00   1.0 10.00   0.68   0.02) =   1.376%  kept
        T QD2   LEU   80 - HB3   LEU   73  10.32 +/- 4.30   5.326% *  0.5916% (0.80   1.0 10.00   0.02   0.02) =   0.051%
        T QD1   LEU  104 - HB3   LEU   73  12.75 +/- 3.21   1.416% *  0.4183% (0.57   1.0 10.00   0.02   0.02) =   0.010%
          QD2   LEU   63 - HB3   LEU   73  10.11 +/- 2.19   4.737% *  0.0418% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU  115 - HB3   LEU   73  13.59 +/- 3.45   1.223% *  0.0617% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB3   LEU   73  10.53 +/- 2.91   1.868% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 841 (0.78, 1.38, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.66, residual support = 170.4:
    * O T QD2   LEU   73 - HB3   LEU   73   2.84 +/- 0.34  70.565% * 99.1570% (1.00  10.0 10.00   6.66 170.59) =  99.918%  kept
        T QG1   VAL   43 - HB3   LEU   73   7.18 +/- 2.85  17.064% *  0.2757% (0.28   1.0 10.00   0.02   2.38) =   0.067%
          HG    LEU   31 - HB3   LEU   73   8.51 +/- 2.27   4.731% *  0.0957% (0.97   1.0  1.00   0.02   1.88) =   0.006%
          QG1   VAL   41 - HB3   LEU   73   8.02 +/- 2.49   5.240% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   56 - HB3   LEU   73  13.70 +/- 3.24   1.910% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 121 - HB3   LEU   73  18.93 +/- 4.29   0.490% *  0.3382% (0.34   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 842 (5.57, 0.58, 26.34 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.81, residual support = 163.8:
    *   T HA    LEU   73 - QD1   LEU   73   3.76 +/- 0.47  77.847% * 85.6506% (1.00 10.00   5.00 170.59) =  96.007%  kept
        T HA    LEU   73 - QD1   LEU   63   8.84 +/- 2.02  19.575% * 14.1397% (1.00 10.00   0.33   0.02) =   3.985%  kept
        T HA    LEU   73 - QD1   LEU  104  13.13 +/- 2.65   2.577% *  0.2097% (0.24 10.00   0.02   0.02) =   0.008%
    Distance limit 5.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 843 (1.70, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.953, support = 4.78, residual support = 160.8:
    * O T HB2   LEU   73 - QD1   LEU   73   2.39 +/- 0.37  29.536% * 69.7289% (1.00  10.0 10.00   4.98 170.59) =  93.694%  kept
        T HB3   LYS+  99 - QD1   LEU  104   3.15 +/- 0.99  20.474% *  3.8000% (0.05   1.0 10.00   2.04  18.67) =   3.539%  kept
          QD    LYS+  99 - QD1   LEU  104   2.84 +/- 0.86  24.554% *  1.4755% (0.23   1.0  1.00   1.87  18.67) =   1.648%  kept
        T HB2   LEU   73 - QD1   LEU   63   9.85 +/- 2.23   0.895% * 23.6177% (1.00   1.0 10.00   0.68   0.02) =   0.962%  kept
          QD    LYS+ 106 - QD1   LEU   63  10.93 +/- 3.17   7.998% *  0.3651% (0.95   1.0  1.00   0.11   0.02) =   0.133%  kept
          QG1   ILE   56 - QD1   LEU   63   6.41 +/- 1.63   3.160% *  0.0215% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HG3   PRO   93 - QD1   LEU   73  14.80 +/- 3.29   1.559% *  0.0423% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          QG1   ILE   56 - QD1   LEU   73  12.57 +/- 3.72   2.956% *  0.0215% (0.31   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   LEU   73 - QD1   LEU  104  13.20 +/- 3.10   0.274% *  0.1707% (0.24   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU  123 - QD1   LEU   63  10.83 +/- 2.81   0.712% *  0.0451% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD1   LEU   73  12.24 +/- 3.28   0.499% *  0.0644% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QD1   LEU   73  14.47 +/- 2.74   0.440% *  0.0673% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD1   LEU   73  11.51 +/- 2.53   0.429% *  0.0660% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD1   LEU   63  12.24 +/- 3.42   0.404% *  0.0644% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QD1   LEU   63  12.73 +/- 2.38   0.334% *  0.0673% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD1   LEU  104   7.58 +/- 0.87   1.387% *  0.0161% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QD1   LEU   63  11.75 +/- 2.44   0.477% *  0.0423% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD1   LEU   63  14.09 +/- 2.77   0.217% *  0.0625% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD1   LEU   73  14.36 +/- 3.02   0.390% *  0.0287% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD1   LEU  104   7.43 +/- 1.09   1.575% *  0.0070% (0.10   1.0  1.00   0.02   0.29) =   0.001%
          HD2   LYS+ 111 - QD1   LEU   73  19.71 +/- 3.80   0.088% *  0.0625% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   73  18.49 +/- 3.97   0.111% *  0.0451% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   63  13.42 +/- 3.58   0.292% *  0.0155% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   73  12.99 +/- 3.15   0.276% *  0.0155% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   63  15.83 +/- 2.39   0.136% *  0.0287% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU  104  15.74 +/- 6.03   0.261% *  0.0110% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU  104  13.90 +/- 2.92   0.304% *  0.0053% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  104  17.89 +/- 1.47   0.083% *  0.0165% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  104  17.82 +/- 2.59   0.089% *  0.0153% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  104  17.21 +/- 1.39   0.091% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 844 (1.38, 0.58, 26.34 ppm):
    45 chemical-shift based assignments, quality = 0.995, support = 5.08, residual support = 166.3:
    * O T HB3   LEU   73 - QD1   LEU   73   2.41 +/- 0.24  33.139% * 69.3829% (1.00  10.0 10.00   5.18 170.59) =  97.428%  kept
        T HB3   LEU   73 - QD1   LEU   63   9.68 +/- 1.94   1.388% * 23.4718% (1.00   1.0 10.00   0.68   0.02) =   1.380%  kept
          HB    VAL   42 - QD1   LEU   73   7.66 +/- 2.05   8.466% *  1.6455% (0.99   1.0  1.00   0.48   0.49) =   0.590%  kept
          HB3   LYS+  74 - QD1   LEU   73   6.03 +/- 0.71   2.370% *  2.5586% (0.18   1.0  1.00   4.21  42.48) =   0.257%  kept
          QB    LEU   98 - QD1   LEU  104   5.04 +/- 0.82   4.291% *  1.0079% (0.09   1.0  1.00   3.16  11.02) =   0.183%  kept
          HG3   LYS+ 106 - QD1   LEU   63  11.31 +/- 2.96   4.085% *  0.3545% (0.92   1.0  1.00   0.11   0.02) =   0.061%
          HG    LEU   98 - QD1   LEU  104   5.92 +/- 1.29   3.220% *  0.2654% (0.06   1.0  1.00   1.25  11.02) =   0.036%
          HB    VAL   42 - QD1   LEU   63   6.73 +/- 2.34   6.695% *  0.0688% (0.99   1.0  1.00   0.02   0.02) =   0.020%
          HB3   PRO   93 - QD1   LEU   73  13.27 +/- 3.32   7.537% *  0.0260% (0.38   1.0  1.00   0.02   0.02) =   0.008%
          HG3   LYS+  33 - QD1   LEU   73   8.38 +/- 2.90   1.710% *  0.0670% (0.97   1.0  1.00   0.02   0.02) =   0.005%
          HB2   LYS+ 112 - QD1   LEU   63  10.87 +/- 2.90   1.456% *  0.0680% (0.98   1.0  1.00   0.02   0.02) =   0.004%
        T HB3   LEU   73 - QD1   LEU  104  12.75 +/- 3.21   0.555% *  0.1698% (0.24   1.0 10.00   0.02   0.02) =   0.004%
          HG3   LYS+  65 - QD1   LEU   63   7.85 +/- 1.25   1.207% *  0.0688% (0.99   1.0  1.00   0.02   3.61) =   0.004%
          HB    VAL   42 - QD1   LEU  104   8.56 +/- 4.01   3.261% *  0.0168% (0.24   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - QD1   LEU   73  12.26 +/- 2.77   0.558% *  0.0640% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QB    LEU   98 - QD1   LEU   73   9.36 +/- 2.83   1.185% *  0.0260% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - QD1   LEU   73  11.54 +/- 1.60   0.357% *  0.0688% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QD1   LEU   63   9.92 +/- 2.43   0.941% *  0.0260% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QD1   LEU   63   9.57 +/- 3.05   2.268% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QD1   LEU   73  14.09 +/- 3.27   0.539% *  0.0449% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QD1   LEU  104   8.05 +/- 1.18   1.260% *  0.0169% (0.24   1.0  1.00   0.02   0.29) =   0.001%
          HG3   LYS+ 102 - QD1   LEU   73  15.95 +/- 3.65   0.299% *  0.0692% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD1   LEU  104   7.36 +/- 0.88   1.220% *  0.0157% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QD1   LEU   63   8.57 +/- 2.22   1.566% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD1   LEU   73  10.48 +/- 3.23   0.934% *  0.0173% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QD1   LEU   63  14.73 +/- 2.71   0.237% *  0.0670% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - QD1   LEU   73  17.83 +/- 4.30   0.231% *  0.0680% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QD1   LEU   63  11.13 +/- 2.44   0.565% *  0.0260% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   73  10.33 +/- 1.60   0.516% *  0.0237% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QD1   LEU   63  17.74 +/- 2.91   0.121% *  0.0692% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63  12.56 +/- 3.07   0.422% *  0.0173% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU  104  11.35 +/- 7.82   2.718% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  12.50 +/- 1.36   0.286% *  0.0237% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  11.88 +/- 2.38   0.431% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   63  17.19 +/- 2.41   0.114% *  0.0449% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU  104  14.17 +/- 3.92   1.579% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU  104  13.90 +/- 3.16   0.286% *  0.0164% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  13.93 +/- 2.51   0.520% *  0.0058% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   73  15.80 +/- 4.27   0.280% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU  104  16.31 +/- 3.48   0.175% *  0.0168% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU  104  17.72 +/- 4.88   0.261% *  0.0110% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  17.68 +/- 3.36   0.147% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU  104  17.64 +/- 2.25   0.101% *  0.0166% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  15.14 +/- 6.05   0.369% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.53 +/- 1.39   0.138% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 845 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
    *     QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
          QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 846 (0.78, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 0.998, support = 5.9, residual support = 160.3:
    * O T QD2   LEU   73 - QD1   LEU   73   2.00 +/- 0.07  50.438% * 60.8507% (1.00  10.0 10.00   6.18 170.59) =  93.924%  kept
        T QD2   LEU   73 - QD1   LEU   63   7.70 +/- 1.87   3.964% * 30.6423% (1.00   1.0 10.00   1.01   0.02) =   3.717%  kept
          HG    LEU   31 - QD1   LEU   73   5.65 +/- 2.66  10.720% *  6.7711% (0.97   1.0  1.00   2.31   1.88) =   2.221%  kept
        T QG1   VAL   41 - QD1   LEU   73   6.46 +/- 2.39   5.628% *  0.2728% (0.45   1.0 10.00   0.02   0.02) =   0.047%
          QG1   VAL   43 - QD1   LEU   73   6.18 +/- 2.13   3.655% *  0.2919% (0.28   1.0  1.00   0.35   2.38) =   0.033%
        T HG3   LYS+ 121 - QD1   LEU   63  10.15 +/- 3.38   2.560% *  0.2076% (0.34   1.0 10.00   0.02   0.02) =   0.016%
          QD1   ILE   56 - QD1   LEU   63   6.39 +/- 1.75   6.289% *  0.0546% (0.90   1.0  1.00   0.02   0.02) =   0.011%
        T QG1   VAL   41 - QD1   LEU  104   7.89 +/- 3.97   4.142% *  0.0668% (0.11   1.0 10.00   0.02   0.02) =   0.008%
        T QG1   VAL   41 - QD1   LEU   63   9.07 +/- 1.63   0.748% *  0.2728% (0.45   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 121 - QD1   LEU  104  11.58 +/- 7.85   3.816% *  0.0508% (0.08   1.0 10.00   0.02   0.02) =   0.006%
        T QD2   LEU   73 - QD1   LEU  104   9.94 +/- 2.22   0.746% *  0.1489% (0.24   1.0 10.00   0.02   0.02) =   0.003%
          QD1   ILE   56 - QD1   LEU   73  12.28 +/- 3.39   1.395% *  0.0546% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - QD1   LEU   63  12.84 +/- 3.24   0.931% *  0.0587% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 121 - QD1   LEU   73  16.41 +/- 4.26   0.195% *  0.2076% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - QD1   LEU   63   7.83 +/- 1.83   1.695% *  0.0169% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - QD1   LEU  104  12.04 +/- 3.45   0.825% *  0.0144% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   7.95 +/- 2.30   1.983% *  0.0041% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU  104  13.34 +/- 2.87   0.270% *  0.0134% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 847 (5.57, 0.78, 24.39 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 170.6:
    *   T HA    LEU   73 - QD2   LEU   73   2.88 +/- 0.59  99.452% * 99.6602% (1.00 10.00   6.18 170.59) =  99.998%  kept
        T HA    LEU   73 - HG3   LYS+ 121  18.57 +/- 3.86   0.548% *  0.3398% (0.34 10.00   0.02   0.02) =   0.002%
    Distance limit 3.18 A violated in 0 structures by 0.12 A, kept.
 
    Peak 848 (1.70, 0.78, 24.39 ppm):
    20 chemical-shift based assignments, quality = 0.998, support = 6.17, residual support = 170.2:
    * O T HB2   LEU   73 - QD2   LEU   73   2.86 +/- 0.37  64.036% * 95.1373% (1.00  10.0 10.00   6.18 170.59) =  99.782%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.49 +/- 0.63   2.848% *  3.4487% (0.22   1.0 10.00   0.33   2.32) =   0.161%  kept
        T QG1   ILE   56 - QD2   LEU   73  11.54 +/- 3.59   6.538% *  0.2936% (0.31   1.0 10.00   0.02   0.02) =   0.031%
          HG3   PRO   93 - QD2   LEU   73  14.22 +/- 3.39   8.087% *  0.0577% (0.61   1.0  1.00   0.02   0.02) =   0.008%
          QD    LYS+  99 - QD2   LEU   73  11.67 +/- 2.93   4.108% *  0.0878% (0.92   1.0  1.00   0.02   0.02) =   0.006%
          QD    LYS+ 106 - QD2   LEU   73  11.34 +/- 1.90   1.563% *  0.0900% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB3   MET   92 - QD2   LEU   73  14.15 +/- 2.76   1.157% *  0.0918% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   LEU   73 - HG3   LYS+ 121  19.23 +/- 4.40   0.317% *  0.3244% (0.34   1.0 10.00   0.02   0.02) =   0.002%
        T QG1   ILE   56 - HG3   LYS+ 121  12.34 +/- 1.17   0.975% *  0.1001% (0.11   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+  99 - HG3   LYS+ 121  14.66 +/- 8.45   2.347% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HG3   LYS+ 121  14.27 +/- 5.79   1.428% *  0.0307% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD2   LEU   73  14.32 +/- 2.46   0.889% *  0.0391% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - QD2   LEU   73  17.14 +/- 3.67   0.510% *  0.0615% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QD2   LEU   73  12.45 +/- 2.53   1.189% *  0.0212% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU   73  18.88 +/- 3.56   0.288% *  0.0853% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+ 121  16.33 +/- 9.06   2.225% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG3   LYS+ 121  17.86 +/- 1.79   0.313% *  0.0291% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  18.43 +/- 6.72   0.645% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 121  20.43 +/- 2.91   0.231% *  0.0313% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  18.85 +/- 3.06   0.305% *  0.0197% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 849 (1.38, 0.78, 24.39 ppm):
    30 chemical-shift based assignments, quality = 0.927, support = 6.54, residual support = 177.0:
    * O T HB3   LEU   73 - QD2   LEU   73   2.84 +/- 0.34  27.677% * 85.8139% (1.00  10.0 10.00   6.66 170.59) =  91.066%  kept
      O T HD3   LYS+ 121 - HG3   LYS+ 121   2.49 +/- 0.29  39.186% *  4.5151% (0.05  10.0 10.00   5.98 313.10) =   6.784%  kept
          HB    VAL   42 - QD2   LEU   73   6.11 +/- 1.48   7.203% *  4.1842% (0.99   1.0  1.00   0.98   0.49) =   1.156%  kept
          HB3   LYS+  74 - QD2   LEU   73   5.47 +/- 1.01   5.947% *  4.2197% (0.18   1.0  1.00   5.62  42.48) =   0.962%  kept
          HB3   PRO   93 - QD2   LEU   73  12.65 +/- 3.05   7.432% *  0.0322% (0.38   1.0  1.00   0.02   0.02) =   0.009%
          HG3   LYS+  33 - QD2   LEU   73   8.45 +/- 2.84   2.075% *  0.0828% (0.97   1.0  1.00   0.02   0.02) =   0.007%
          HG3   LYS+  65 - QD2   LEU   73  10.19 +/- 1.43   0.840% *  0.0851% (0.99   1.0  1.00   0.02   0.02) =   0.003%
        T HB3   LEU   73 - HG3   LYS+ 121  18.93 +/- 4.29   0.170% *  0.2926% (0.34   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 121 - QD2   LEU   73  14.77 +/- 3.78   0.348% *  0.1324% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          QB    LEU   98 - QD2   LEU   73   9.16 +/- 2.34   1.254% *  0.0322% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - QD2   LEU   73  16.76 +/- 4.30   0.473% *  0.0841% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - QD2   LEU   73  11.93 +/- 1.93   0.466% *  0.0792% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QD2   LEU   73  14.12 +/- 3.05   0.505% *  0.0555% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HG3   LYS+ 121  14.60 +/- 5.09   0.766% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD2   LEU   73  10.64 +/- 1.83   0.739% *  0.0293% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD2   LEU   73  10.38 +/- 2.70   0.967% *  0.0214% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QD2   LEU   73  15.86 +/- 3.02   0.214% *  0.0856% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HG3   LYS+ 121  14.88 +/- 6.63   0.573% *  0.0270% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HG3   LYS+ 121  20.80 +/- 8.19   0.180% *  0.0292% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 121  15.20 +/- 6.13   0.476% *  0.0110% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 121  18.45 +/- 3.21   0.171% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 121   9.33 +/- 0.90   0.910% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG3   LYS+ 121  16.30 +/- 1.06   0.157% *  0.0287% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   73  16.56 +/- 3.21   0.211% *  0.0150% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 121  17.31 +/- 6.84   0.348% *  0.0073% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 121  24.61 +/- 6.09   0.109% *  0.0189% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 121  23.16 +/- 4.86   0.072% *  0.0282% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 121  17.13 +/- 2.90   0.180% *  0.0110% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG3   LYS+ 121  18.39 +/- 4.78   0.250% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 121  20.10 +/- 2.83   0.099% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 850 (0.58, 0.78, 24.39 ppm):
    14 chemical-shift based assignments, quality = 0.999, support = 5.99, residual support = 164.2:
    * O T QD1   LEU   73 - QD2   LEU   73   2.00 +/- 0.07  67.293% * 65.7391% (1.00  10.0 10.00   6.18 170.59) =  96.260%  kept
        T QD1   LEU   63 - QD2   LEU   73   7.70 +/- 1.87   5.115% * 33.1039% (1.00   1.0 10.00   1.01   0.02) =   3.684%  kept
        T QD1   LEU   63 - HG3   LYS+ 121  10.15 +/- 3.38   3.386% *  0.2242% (0.34   1.0 10.00   0.02   0.02) =   0.017%
        T QD1   LEU  104 - HG3   LYS+ 121  11.58 +/- 7.85   4.922% *  0.1269% (0.19   1.0 10.00   0.02   0.02) =   0.014%
          QD2   LEU   80 - QD2   LEU   73   9.37 +/- 4.09   8.974% *  0.0526% (0.80   1.0  1.00   0.02   0.02) =   0.010%
        T QD1   LEU  104 - QD2   LEU   73   9.94 +/- 2.22   1.047% *  0.3722% (0.57   1.0 10.00   0.02   0.02) =   0.008%
          QD2   LEU   63 - QD2   LEU   73   8.04 +/- 1.90   2.782% *  0.0372% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU  115 - QD2   LEU   73  11.17 +/- 3.34   1.607% *  0.0549% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T QD1   LEU   73 - HG3   LYS+ 121  16.41 +/- 4.26   0.253% *  0.2242% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QD2   LEU   73   9.30 +/- 3.20   2.454% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG3   LYS+ 121  10.25 +/- 3.52   1.232% *  0.0127% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG3   LYS+ 121   9.52 +/- 1.23   0.774% *  0.0187% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   LYS+ 121  21.56 +/- 3.56   0.089% *  0.0180% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+ 121  21.00 +/- 2.94   0.072% *  0.0039% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 851 (0.78, 0.78, 24.39 ppm):
    2 diagonal assignments:
    *     QD2   LEU   73 - QD2   LEU   73  (1.00)  kept
          HG3   LYS+ 121 - HG3   LYS+ 121  (0.12)  kept
 
    Peak 852 (4.94, 4.94, 55.14 ppm):
    1 diagonal assignment:
    *     HA    LYS+  74 - HA    LYS+  74  (0.64)  kept
 
    Peak 853 (1.48, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 186.8:
    * O T HB2   LYS+  74 - HA    LYS+  74   2.73 +/- 0.25  73.610% * 99.4757% (0.64  10.0 10.00   6.31 186.90) =  99.975%  kept
          QB    ALA  120 - HA    LYS+  74  16.30 +/- 3.77  11.443% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.013%
          HB3   LEU   40 - HA    LYS+  74  13.02 +/- 2.94   2.417% *  0.1114% (0.72   1.0  1.00   0.02   0.02) =   0.004%
          HG2   LYS+  65 - HA    LYS+  74   9.65 +/- 2.65   3.199% *  0.0557% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   26 - HA    LYS+  74   9.23 +/- 1.38   2.580% *  0.0654% (0.42   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   67 - HA    LYS+  74  10.15 +/- 2.39   3.348% *  0.0310% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  115 - HA    LYS+  74  14.51 +/- 2.75   0.725% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HA    LYS+  74  12.10 +/- 1.93   1.321% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LYS+  74  16.63 +/- 3.49   0.592% *  0.0466% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  74  14.97 +/- 3.26   0.765% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.07 A, kept.
 
    Peak 854 (1.24, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 186.9:
    * O T HG2   LYS+  74 - HA    LYS+  74   2.57 +/- 0.42  87.753% * 99.1206% (0.80  10.0 10.00   6.28 186.90) =  99.989%  kept
          HG13  ILE   19 - HA    LYS+  74   9.50 +/- 2.54   3.575% *  0.0915% (0.74   1.0  1.00   0.02   8.22) =   0.004%
          HG3   LYS+  99 - HA    LYS+  74  17.61 +/- 3.12   1.499% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   71 - HA    LYS+  74  11.41 +/- 1.18   1.234% *  0.0989% (0.80   1.0  1.00   0.02   0.28) =   0.001%
        T HG3   LYS+ 111 - HA    LYS+  74  20.64 +/- 2.95   0.267% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HA    LYS+  74  11.72 +/- 2.06   1.584% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HA    LYS+  74  13.28 +/- 2.23   1.126% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HA    LYS+  74  14.12 +/- 1.69   0.792% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    LYS+  74  12.19 +/- 1.96   1.585% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    LYS+  74  18.37 +/- 2.84   0.585% *  0.0338% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.04 A, kept.
 
    Peak 855 (0.98, 4.94, 55.14 ppm):
    8 chemical-shift based assignments, quality = 0.777, support = 5.55, residual support = 180.2:
    * O T HG3   LYS+  74 - HA    LYS+  74   3.54 +/- 0.32  46.648% * 92.2643% (0.80  10.0 10.00   5.57 186.90) =  95.670%  kept
          HB    VAL   75 - HA    LYS+  74   4.36 +/- 0.23  26.303% *  7.3271% (0.25   1.0  1.00   5.15  31.89) =   4.284%  kept
          QD1   LEU   67 - HA    LYS+  74   7.11 +/- 1.87  14.163% *  0.0852% (0.74   1.0  1.00   0.02   0.02) =   0.027%
          QD2   LEU   71 - HA    LYS+  74   8.85 +/- 1.14   4.495% *  0.0634% (0.55   1.0  1.00   0.02   0.28) =   0.006%
          QD2   LEU   40 - HA    LYS+  74  10.48 +/- 1.77   2.650% *  0.0827% (0.72   1.0  1.00   0.02   0.02) =   0.005%
          QG2   ILE  103 - HA    LYS+  74  13.50 +/- 2.77   1.801% *  0.0904% (0.78   1.0  1.00   0.02   0.02) =   0.004%
          QD1   ILE  103 - HA    LYS+  74  13.72 +/- 3.01   2.383% *  0.0522% (0.45   1.0  1.00   0.02   0.02) =   0.003%
          QG2   ILE  119 - HA    LYS+  74  13.30 +/- 2.54   1.556% *  0.0346% (0.30   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.11 A violated in 0 structures by 0.31 A, kept.
 
    Peak 856 (1.64, 4.94, 55.14 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 186.9:
    *   T HD2   LYS+  74 - HA    LYS+  74   2.93 +/- 0.61  83.815% * 99.2156% (0.80 10.00   5.91 186.90) =  99.985%  kept
          QD    LYS+  65 - HA    LYS+  74   9.50 +/- 2.40   5.403% *  0.0562% (0.45  1.00   0.02   0.02) =   0.004%
        T QD    LYS+  38 - HA    LYS+  74  16.99 +/- 3.11   0.824% *  0.3384% (0.27 10.00   0.02   0.02) =   0.003%
          QB    ALA   57 - HA    LYS+  74  10.91 +/- 2.50   2.876% *  0.0861% (0.69  1.00   0.02   0.02) =   0.003%
          QD    LYS+  33 - HA    LYS+  74  12.38 +/- 2.46   3.792% *  0.0562% (0.45  1.00   0.02   0.02) =   0.003%
          HB    VAL   83 - HA    LYS+  74  12.82 +/- 1.90   1.454% *  0.0483% (0.39  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+  74  16.71 +/- 3.45   1.077% *  0.0602% (0.49  1.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HA    LYS+  74  20.55 +/- 3.63   0.499% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LYS+  74  22.28 +/- 3.06   0.259% *  0.0829% (0.67  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.18 A, kept.
 
    Peak 857 (2.80, 4.94, 55.14 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 186.9:
    *   T QE    LYS+  74 - HA    LYS+  74   3.27 +/- 0.50  80.689% * 99.7560% (0.80 10.00   4.93 186.90) =  99.989%  kept
          HB2   PHE   72 - HA    LYS+  74   6.68 +/- 0.97  13.228% *  0.0308% (0.25  1.00   0.02   1.41) =   0.005%
          QB    CYS   50 - HA    LYS+  74  12.56 +/- 2.58   2.888% *  0.0995% (0.80  1.00   0.02   0.02) =   0.004%
          HB3   ASP-  78 - HA    LYS+  74  11.74 +/- 0.95   2.178% *  0.0374% (0.30  1.00   0.02   0.02) =   0.001%
          HB3   ASN   69 - HA    LYS+  74  14.97 +/- 1.12   1.018% *  0.0762% (0.61  1.00   0.02   0.02) =   0.001%
    Distance limit 2.87 A violated in 0 structures by 0.49 A, kept.
 
    Peak 858 (4.94, 1.48, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 186.9:
    * O T HA    LYS+  74 - HB2   LYS+  74   2.73 +/- 0.25  98.417% * 99.8966% (0.64  10.0 10.00   6.31 186.90) =  99.999%  kept
          HA    THR   94 - HB2   LYS+  74  14.67 +/- 2.47   0.856% *  0.0757% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   92 - HB2   LYS+  74  15.80 +/- 2.90   0.727% *  0.0278% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 859 (1.48, 1.48, 36.69 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  74 - HB2   LYS+  74  (0.64)  kept
 
    Peak 860 (1.24, 1.48, 36.69 ppm):
    10 chemical-shift based assignments, quality = 0.8, support = 5.84, residual support = 186.8:
    * O T HG2   LYS+  74 - HB2   LYS+  74   2.99 +/- 0.10  85.875% * 98.2076% (0.80  10.0 10.00   5.85 186.90) =  99.941%  kept
          HG13  ILE   19 - HB2   LYS+  74   9.07 +/- 2.12   4.194% *  1.0117% (0.74   1.0  1.00   0.22   8.22) =   0.050%
          HG3   LYS+  99 - HB2   LYS+  74  18.63 +/- 3.85   1.974% *  0.0980% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   71 - HB2   LYS+  74  11.70 +/- 1.61   1.907% *  0.0980% (0.80   1.0  1.00   0.02   0.28) =   0.002%
          QG2   THR   39 - HB2   LYS+  74  12.18 +/- 2.56   1.844% *  0.0596% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - HB2   LYS+  74  22.08 +/- 3.16   0.264% *  0.3686% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HB2   LYS+  74  15.49 +/- 1.81   0.691% *  0.0596% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+  74  15.08 +/- 2.41   0.922% *  0.0440% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  74  13.01 +/- 2.50   1.885% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB2   LYS+  74  19.10 +/- 2.97   0.445% *  0.0335% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 861 (0.98, 1.48, 36.69 ppm):
    8 chemical-shift based assignments, quality = 0.797, support = 5.26, residual support = 185.5:
    * O T HG3   LYS+  74 - HB2   LYS+  74   2.66 +/- 0.16  73.056% * 91.5717% (0.80  10.0 10.00   5.27 186.90) =  99.122%  kept
          HB    VAL   75 - HB2   LYS+  74   6.18 +/- 0.62   7.177% *  6.5229% (0.25   1.0  1.00   4.62  31.89) =   0.694%  kept
        T QD1   LEU   67 - HB2   LYS+  74   7.57 +/- 2.35  12.523% *  0.8453% (0.74   1.0 10.00   0.02   0.02) =   0.157%  kept
        T QD2   LEU   40 - HB2   LYS+  74  11.57 +/- 2.24   1.832% *  0.8212% (0.72   1.0 10.00   0.02   0.02) =   0.022%
          QD2   LEU   71 - HB2   LYS+  74   9.04 +/- 1.36   2.632% *  0.0629% (0.55   1.0  1.00   0.02   0.28) =   0.002%
          QG2   ILE  103 - HB2   LYS+  74  14.77 +/- 3.16   0.815% *  0.0898% (0.78   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   LYS+  74  14.92 +/- 3.41   1.209% *  0.0518% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HB2   LYS+  74  13.74 +/- 2.77   0.756% *  0.0344% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 862 (1.64, 1.48, 36.69 ppm):
    9 chemical-shift based assignments, quality = 0.8, support = 6.31, residual support = 186.8:
    * O T HD2   LYS+  74 - HB2   LYS+  74   2.56 +/- 0.44  87.013% * 97.4681% (0.80  10.0 10.00   6.31 186.90) =  99.945%  kept
        T QD    LYS+  65 - HB2   LYS+  74   9.38 +/- 2.93   6.130% *  0.5518% (0.45   1.0 10.00   0.02   0.02) =   0.040%
        T HB2   LYS+ 121 - HB2   LYS+  74  17.31 +/- 4.11   1.065% *  0.5912% (0.49   1.0 10.00   0.02   0.02) =   0.007%
          QB    ALA   57 - HB2   LYS+  74  11.53 +/- 2.87   2.606% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.003%
        T HD3   LYS+ 111 - HB2   LYS+  74  23.71 +/- 3.23   0.162% *  0.8141% (0.67   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - HB2   LYS+  74  17.65 +/- 3.12   0.387% *  0.3325% (0.27   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+  33 - HB2   LYS+  74  12.50 +/- 2.04   1.050% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HB2   LYS+  74  14.03 +/- 2.10   1.002% *  0.0474% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HB2   LYS+  74  20.80 +/- 4.05   0.584% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 863 (2.80, 1.48, 36.69 ppm):
    5 chemical-shift based assignments, quality = 0.8, support = 4.62, residual support = 186.7:
    *   T QE    LYS+  74 - HB2   LYS+  74   2.91 +/- 0.87  80.247% * 99.1715% (0.80 10.00   4.62 186.90) =  99.878%  kept
          HB2   PHE   72 - HB2   LYS+  74   7.77 +/- 1.73  15.285% *  0.6165% (0.25  1.00   0.40   1.41) =   0.118%  kept
          QB    CYS   50 - HB2   LYS+  74  13.33 +/- 2.89   1.624% *  0.0990% (0.80  1.00   0.02   0.02) =   0.002%
          HB3   ASN   69 - HB2   LYS+  74  15.44 +/- 2.23   0.953% *  0.0758% (0.61  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HB2   LYS+  74  12.05 +/- 1.30   1.892% *  0.0372% (0.30  1.00   0.02   0.02) =   0.001%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 864 (4.94, 1.24, 25.23 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 186.9:
    * O T HA    LYS+  74 - HG2   LYS+  74   2.57 +/- 0.42  91.333% * 99.7790% (0.80  10.0 10.00   6.28 186.90) =  99.998%  kept
          HA    THR   94 - HG2   LYS+  74  13.14 +/- 2.90   1.414% *  0.0756% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   92 - HG2   LYS+  74  14.14 +/- 3.46   1.194% *  0.0277% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  74 - HG3   LYS+ 111  20.64 +/- 2.95   0.277% *  0.1066% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   94 - HG3   LYS+ 111  10.31 +/- 2.24   3.647% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+ 111  12.87 +/- 3.33   2.135% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 865 (1.48, 1.24, 25.23 ppm):
    20 chemical-shift based assignments, quality = 0.8, support = 5.85, residual support = 186.8:
    * O T HB2   LYS+  74 - HG2   LYS+  74   2.99 +/- 0.10  61.210% * 99.3145% (0.80  10.0 10.00   5.85 186.90) =  99.965%  kept
          QB    ALA  120 - HG2   LYS+  74  16.25 +/- 4.30  13.703% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.019%
          HG2   LYS+  65 - HG2   LYS+  74   9.80 +/- 3.67   5.721% *  0.0556% (0.45   1.0  1.00   0.02   0.02) =   0.005%
          QG2   THR   26 - HG2   LYS+  74  10.15 +/- 1.91   2.854% *  0.0653% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   40 - HG2   LYS+  74  14.75 +/- 3.36   1.573% *  0.1112% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   67 - HG2   LYS+  74  11.13 +/- 2.64   2.645% *  0.0309% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  115 - HG2   LYS+  74  14.36 +/- 3.36   0.839% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HG2   LYS+  74  16.75 +/- 4.17   0.613% *  0.0465% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 111   9.28 +/- 1.00   2.415% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG3   LYS+ 111  22.08 +/- 3.16   0.185% *  0.1061% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG2   LYS+  74  13.85 +/- 2.36   0.898% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG2   LYS+  74  14.89 +/- 3.89   0.883% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 111   8.43 +/- 1.84   4.313% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 111  12.94 +/- 1.26   0.853% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+ 111  17.43 +/- 2.31   0.398% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 111  23.12 +/- 2.37   0.143% *  0.0119% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 111  21.58 +/- 3.36   0.187% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 111  21.69 +/- 4.28   0.269% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 111  24.62 +/- 2.62   0.124% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 111  21.65 +/- 2.50   0.176% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.10 A, kept.
 
    Peak 866 (1.24, 1.24, 25.23 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  74 - HG2   LYS+  74  (1.00)  kept
          HG3   LYS+ 111 - HG3   LYS+ 111  (0.04)  kept
 
    Peak 867 (0.98, 1.24, 25.23 ppm):
    16 chemical-shift based assignments, quality = 0.998, support = 4.54, residual support = 186.5:
    * O T HG3   LYS+  74 - HG2   LYS+  74   1.75 +/- 0.00  89.192% * 92.8651% (1.00  10.0 10.00   4.54 186.90) =  99.721%  kept
          HB    VAL   75 - HG2   LYS+  74   5.51 +/- 0.77   3.481% *  6.5160% (0.31   1.0  1.00   4.55  31.89) =   0.273%  kept
          QD1   LEU   67 - HG2   LYS+  74   8.01 +/- 2.06   4.213% *  0.0857% (0.92   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU   71 - HG2   LYS+  74  10.29 +/- 1.37   0.575% *  0.0638% (0.69   1.0  1.00   0.02   0.28) =   0.000%
          QD2   LEU   40 - HG2   LYS+  74  11.93 +/- 2.19   0.423% *  0.0833% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG2   LYS+  74  14.21 +/- 3.15   0.306% *  0.0910% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG2   LYS+  74  14.47 +/- 3.40   0.339% *  0.0526% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   LYS+  74  13.18 +/- 3.09   0.411% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG3   LYS+ 111  21.07 +/- 3.94   0.097% *  0.0682% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG3   LYS+ 111  21.41 +/- 3.69   0.065% *  0.0992% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG3   LYS+ 111  14.67 +/- 1.97   0.185% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG3   LYS+ 111  17.71 +/- 3.33   0.159% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   LYS+ 111  12.96 +/- 1.12   0.243% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG3   LYS+ 111  17.67 +/- 2.17   0.101% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG3   LYS+ 111  16.71 +/- 1.73   0.115% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG3   LYS+ 111  19.26 +/- 3.33   0.094% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 868 (1.64, 1.24, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.927, support = 5.53, residual support = 196.9:
    * O T HD2   LYS+  74 - HG2   LYS+  74   2.72 +/- 0.25  45.364% * 89.4618% (1.00  10.0 10.00   5.54 186.90) =  92.038%  kept
      O T HD3   LYS+ 111 - HG3   LYS+ 111   2.75 +/- 0.30  43.702% *  7.9861% (0.09  10.0 10.00   5.40 314.87) =   7.915%  kept
        T QD    LYS+  65 - HG2   LYS+  74   9.55 +/- 3.23   2.246% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.026%
        T QD    LYS+  33 - HG2   LYS+  74  13.66 +/- 2.88   0.957% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.011%
          QB    ALA   57 - HG2   LYS+  74  10.45 +/- 3.24   2.041% *  0.0776% (0.87   1.0  1.00   0.02   0.02) =   0.004%
        T QD    LYS+  38 - HG2   LYS+  74  18.48 +/- 3.32   0.247% *  0.3052% (0.34   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - HG2   LYS+  74  22.18 +/- 3.54   0.098% *  0.7472% (0.84   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+ 121 - HG2   LYS+  74  16.85 +/- 4.19   1.009% *  0.0543% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG3   LYS+ 111  12.15 +/- 3.12   2.736% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HG2   LYS+  74  13.18 +/- 1.84   0.466% *  0.0435% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  20.44 +/- 4.22   0.275% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  21.22 +/- 3.85   0.129% *  0.0956% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  19.50 +/- 2.88   0.167% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  27.69 +/- 2.44   0.050% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  26.97 +/- 2.84   0.049% *  0.0326% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  16.51 +/- 1.61   0.224% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.55 +/- 1.83   0.133% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.84 +/- 3.86   0.107% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 869 (2.80, 1.24, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 186.9:
    * O T QE    LYS+  74 - HG2   LYS+  74   2.85 +/- 0.64  84.134% * 99.6238% (1.00  10.0 10.00   4.54 186.90) =  99.991%  kept
          QB    CYS   50 - HG2   LYS+  74  11.90 +/- 3.29   3.760% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          HB2   PHE   72 - HG2   LYS+  74   8.54 +/- 1.28   5.760% *  0.0307% (0.31   1.0  1.00   0.02   1.41) =   0.002%
          HB3   ASP-  78 - HG2   LYS+  74  10.61 +/- 1.44   2.690% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  74 - HG3   LYS+ 111  19.03 +/- 3.45   0.571% *  0.1065% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASN   69 - HG2   LYS+  74  16.35 +/- 1.75   0.737% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    CYS   50 - HG3   LYS+ 111  13.89 +/- 3.05   1.261% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+ 111  25.07 +/- 4.21   0.309% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 111  23.25 +/- 4.97   0.422% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+ 111  20.84 +/- 2.73   0.355% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 870 (4.94, 0.98, 25.23 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.57, residual support = 186.9:
    * O T HA    LYS+  74 - HG3   LYS+  74   3.54 +/- 0.32  96.185% * 99.8966% (0.80  10.0 10.00   5.57 186.90) =  99.998%  kept
          HA    THR   94 - HG3   LYS+  74  14.18 +/- 3.17   2.018% *  0.0757% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HA    MET   92 - HG3   LYS+  74  15.00 +/- 3.62   1.797% *  0.0278% (0.22   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 871 (1.48, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 0.8, support = 5.27, residual support = 186.8:
    * O T HB2   LYS+  74 - HG3   LYS+  74   2.66 +/- 0.16  69.516% * 98.5261% (0.80  10.0 10.00   5.27 186.90) =  99.960%  kept
          QB    ALA  120 - HG3   LYS+  74  16.62 +/- 4.43  10.858% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.013%
        T HG    LEU  115 - HG3   LYS+  74  15.07 +/- 3.62   0.709% *  0.8452% (0.69   1.0 10.00   0.02   0.02) =   0.009%
          HG2   LYS+  65 - HG3   LYS+  74   9.82 +/- 4.00   9.900% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.008%
          HB3   LEU   40 - HG3   LYS+  74  15.54 +/- 3.81   2.241% *  0.1103% (0.90   1.0  1.00   0.02   0.02) =   0.004%
        T HG    LEU   40 - HG3   LYS+  74  14.69 +/- 2.69   0.850% *  0.2155% (0.18   1.0 10.00   0.02   0.02) =   0.003%
          QG2   THR   26 - HG3   LYS+  74   9.94 +/- 2.14   2.704% *  0.0647% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   67 - HG3   LYS+  74  11.67 +/- 2.88   1.615% *  0.0307% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HG3   LYS+  74  17.12 +/- 4.59   0.615% *  0.0462% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  74  15.58 +/- 4.21   0.993% *  0.0215% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 872 (1.24, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 186.9:
    * O T HG2   LYS+  74 - HG3   LYS+  74   1.75 +/- 0.00  95.536% * 99.1206% (1.00  10.0 10.00   4.54 186.90) =  99.996%  kept
          HG3   LYS+  99 - HG3   LYS+  74  19.28 +/- 4.58   1.597% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HG3   LYS+  74  10.65 +/- 2.68   0.970% *  0.0915% (0.92   1.0  1.00   0.02   8.22) =   0.001%
        T HG3   LYS+ 111 - HG3   LYS+  74  21.41 +/- 3.69   0.070% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG3   LYS+  74  13.67 +/- 1.59   0.239% *  0.0989% (1.00   1.0  1.00   0.02   0.28) =   0.000%
          QG2   THR   39 - HG3   LYS+  74  13.55 +/- 2.55   0.303% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+  74  14.66 +/- 3.09   0.391% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG3   LYS+  74  12.39 +/- 2.73   0.615% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG3   LYS+  74  14.90 +/- 2.30   0.194% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG3   LYS+  74  20.64 +/- 3.31   0.085% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 873 (0.98, 0.98, 25.23 ppm):
    1 diagonal assignment:
    *     HG3   LYS+  74 - HG3   LYS+  74  (1.00)  kept
 
    Peak 874 (1.64, 0.98, 25.23 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 186.9:
    * O T HD2   LYS+  74 - HG3   LYS+  74   2.92 +/- 0.11  79.611% * 99.2156% (1.00  10.0 10.00   4.97 186.90) =  99.981%  kept
          QB    ALA   57 - HG3   LYS+  74  10.88 +/- 3.54   6.467% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.007%
          QD    LYS+  65 - HG3   LYS+  74   9.49 +/- 3.48   7.751% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.006%
          HB2   LYS+ 121 - HG3   LYS+  74  17.28 +/- 4.57   2.533% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - HG3   LYS+  74  19.01 +/- 3.51   0.449% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+  33 - HG3   LYS+  74  13.85 +/- 2.63   1.307% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HG3   LYS+  74  20.71 +/- 4.55   0.784% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HG3   LYS+  74  13.93 +/- 1.87   0.887% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HG3   LYS+  74  22.99 +/- 3.74   0.213% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 875 (2.80, 0.98, 25.23 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 186.9:
    * O T QE    LYS+  74 - HG3   LYS+  74   2.95 +/- 0.34  90.751% * 99.7560% (1.00  10.0 10.00   4.00 186.90) =  99.995%  kept
          QB    CYS   50 - HG3   LYS+  74  12.44 +/- 3.55   2.234% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   72 - HG3   LYS+  74   9.37 +/- 1.57   3.895% *  0.0308% (0.31   1.0  1.00   0.02   1.41) =   0.001%
          HB3   ASP-  78 - HG3   LYS+  74  10.83 +/- 1.73   2.450% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASN   69 - HG3   LYS+  74  16.87 +/- 2.20   0.671% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 876 (4.94, 1.64, 30.09 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 186.9:
    *   T HA    LYS+  74 - HD2   LYS+  74   2.93 +/- 0.61  95.295% * 99.6012% (0.80 10.00   5.91 186.90) =  99.996%  kept
        T HA    LYS+  74 - QD    LYS+  38  16.99 +/- 3.11   0.941% *  0.2184% (0.18 10.00   0.02   0.02) =   0.002%
          HA    THR   94 - HD2   LYS+  74  13.95 +/- 3.20   1.514% *  0.0754% (0.61  1.00   0.02   0.02) =   0.001%
          HA    MET   92 - HD2   LYS+  74  14.85 +/- 3.88   1.596% *  0.0277% (0.22  1.00   0.02   0.02) =   0.000%
        T HA    MET   92 - QD    LYS+  38  24.82 +/- 3.49   0.293% *  0.0607% (0.05 10.00   0.02   0.02) =   0.000%
          HA    THR   94 - QD    LYS+  38  21.61 +/- 1.74   0.360% *  0.0165% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 877 (1.48, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.8, support = 6.31, residual support = 186.7:
    * O T HB2   LYS+  74 - HD2   LYS+  74   2.56 +/- 0.44  68.409% * 98.0482% (0.80  10.0 10.00   6.31 186.90) =  99.920%  kept
        T HG2   LYS+  65 - HD2   LYS+  74   9.27 +/- 3.69   6.923% *  0.5490% (0.45   1.0 10.00   0.02   0.02) =   0.057%
          QB    ALA  120 - HD2   LYS+  74  16.61 +/- 4.16   5.923% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.007%
        T HD2   LYS+ 121 - HD2   LYS+  74  17.13 +/- 4.03   0.635% *  0.4596% (0.38   1.0 10.00   0.02   0.02) =   0.004%
          QG2   THR   26 - HD2   LYS+  74  10.18 +/- 2.06   2.613% *  0.0644% (0.53   1.0  1.00   0.02   0.02) =   0.003%
        T HD2   LYS+ 121 - QD    LYS+  38  19.98 +/- 6.11   1.270% *  0.1008% (0.08   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - HD2   LYS+  74  14.77 +/- 3.02   0.944% *  0.1098% (0.90   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   LYS+  74 - QD    LYS+  38  17.65 +/- 3.12   0.303% *  0.2150% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - QD    LYS+  38   8.32 +/- 0.84   2.659% *  0.0241% (0.20   1.0  1.00   0.02   0.83) =   0.001%
          HG    LEU  115 - HD2   LYS+  74  14.91 +/- 3.40   0.745% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HD2   LYS+  74  10.55 +/- 2.93   1.622% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - QD    LYS+  38  19.68 +/- 3.26   0.268% *  0.1204% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   LYS+  74  15.45 +/- 4.07   0.734% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  38  14.96 +/- 3.40   2.161% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+  74  13.87 +/- 2.03   0.600% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  38   9.54 +/- 1.65   2.639% *  0.0047% (0.04   1.0  1.00   0.02   0.83) =   0.000%
          QB    ALA  120 - QD    LYS+  38  19.44 +/- 4.22   0.585% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  13.54 +/- 1.72   0.654% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  38  22.84 +/- 3.62   0.164% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  38  23.03 +/- 3.57   0.149% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.28 A, kept.
 
    Peak 878 (1.24, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.902, support = 5.54, residual support = 190.0:
    * O T HG2   LYS+  74 - HD2   LYS+  74   2.72 +/- 0.25  35.100% * 88.7810% (1.00  10.0 10.00   5.54 186.90) =  89.400%  kept
      O T HG3   LYS+  38 - QD    LYS+  38   2.31 +/- 0.13  54.576% *  6.6410% (0.07  10.0 10.00   5.55 219.76) =  10.398%  kept
          QG2   THR   39 - QD    LYS+  38   6.45 +/- 0.67   2.687% *  2.1967% (0.13   1.0  1.00   3.72  22.99) =   0.169%  kept
        T HG3   LYS+  99 - HD2   LYS+  74  19.08 +/- 3.54   0.489% *  0.8858% (1.00   1.0 10.00   0.02   0.02) =   0.012%
        T HG3   LYS+  99 - QD    LYS+  38  12.28 +/- 7.80   1.949% *  0.1943% (0.22   1.0 10.00   0.02   0.02) =   0.011%
          HG13  ILE   19 - HD2   LYS+  74  10.60 +/- 2.61   0.855% *  0.0820% (0.92   1.0  1.00   0.02   8.22) =   0.002%
        T HG3   LYS+  38 - HD2   LYS+  74  20.01 +/- 3.28   0.136% *  0.3028% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HD2   LYS+  74  12.70 +/- 1.66   0.422% *  0.0886% (1.00   1.0  1.00   0.02   0.28) =   0.001%
        T HG2   LYS+  74 - QD    LYS+  38  18.48 +/- 3.32   0.174% *  0.1947% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - HD2   LYS+  74  21.22 +/- 3.85   0.098% *  0.3332% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HD2   LYS+  74  12.93 +/- 2.28   0.431% *  0.0538% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QD    LYS+  38  11.51 +/- 2.33   1.104% *  0.0194% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HD2   LYS+  74  14.50 +/- 3.18   0.379% *  0.0398% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  14.84 +/- 2.62   0.276% *  0.0538% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74  12.34 +/- 2.66   0.642% *  0.0176% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  13.88 +/- 2.47   0.333% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  26.97 +/- 2.84   0.039% *  0.0731% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  21.01 +/- 2.78   0.089% *  0.0118% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  21.26 +/- 3.40   0.105% *  0.0087% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.14 +/- 3.66   0.117% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 879 (0.98, 1.64, 30.09 ppm):
    16 chemical-shift based assignments, quality = 0.99, support = 4.96, residual support = 184.7:
    * O T HG3   LYS+  74 - HD2   LYS+  74   2.92 +/- 0.11  50.959% * 93.0962% (1.00  10.0 10.00   4.97 186.90) =  98.599%  kept
          HB    VAL   75 - HD2   LYS+  74   5.67 +/- 1.16  10.591% *  6.1907% (0.31   1.0  1.00   4.31  31.89) =   1.363%  kept
          QD1   LEU   67 - HD2   LYS+  74   7.58 +/- 2.37  12.789% *  0.0859% (0.92   1.0  1.00   0.02   0.02) =   0.023%
          QD2   LEU   40 - QD    LYS+  38   7.76 +/- 1.78   7.885% *  0.0183% (0.20   1.0  1.00   0.02   0.83) =   0.003%
          QD1   LEU   67 - QD    LYS+  38  11.90 +/- 2.96   7.517% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   71 - HD2   LYS+  74   9.89 +/- 1.48   1.726% *  0.0639% (0.69   1.0  1.00   0.02   0.28) =   0.002%
          QD2   LEU   40 - HD2   LYS+  74  12.03 +/- 1.83   0.997% *  0.0835% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - HD2   LYS+  74  14.87 +/- 3.01   0.758% *  0.0913% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HD2   LYS+  74  15.12 +/- 3.33   1.119% *  0.0527% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  74 - QD    LYS+  38  19.01 +/- 3.51   0.276% *  0.2042% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HD2   LYS+  74  13.45 +/- 3.00   0.880% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - QD    LYS+  38  10.31 +/- 2.10   2.048% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - QD    LYS+  38  14.30 +/- 3.63   0.614% *  0.0200% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD    LYS+  38  14.16 +/- 4.06   0.655% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QD    LYS+  38  17.18 +/- 3.54   0.840% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD    LYS+  38  18.60 +/- 3.60   0.345% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 880 (1.64, 1.64, 30.09 ppm):
    2 diagonal assignments:
    *     HD2   LYS+  74 - HD2   LYS+  74  (1.00)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.07)  kept
 
    Peak 881 (2.80, 1.64, 30.09 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 186.9:
    * O T QE    LYS+  74 - HD2   LYS+  74   2.28 +/- 0.12  92.310% * 99.4851% (1.00  10.0 10.00   4.97 186.90) =  99.995%  kept
        T QE    LYS+  74 - QD    LYS+  38  16.61 +/- 3.23   0.734% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          QB    CYS   50 - HD2   LYS+  74  12.49 +/- 3.36   1.117% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   72 - HD2   LYS+  74   8.71 +/- 1.33   2.060% *  0.0307% (0.31   1.0  1.00   0.02   1.41) =   0.001%
          HB3   ASP-  78 - HD2   LYS+  74  11.21 +/- 1.68   0.989% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HD2   LYS+  74  15.78 +/- 2.00   0.321% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - QD    LYS+  38  12.96 +/- 2.10   0.839% *  0.0167% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - QD    LYS+  38  12.60 +/- 2.26   0.915% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  38  24.82 +/- 5.32   0.564% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - QD    LYS+  38  23.27 +/- 3.97   0.150% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 882 (4.94, 2.80, 41.81 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 186.9:
    *   T HA    LYS+  74 - QE    LYS+  74   3.27 +/- 0.50  93.134% * 99.8966% (0.80 10.00   4.93 186.90) =  99.996%  kept
          HA    THR   94 - QE    LYS+  74  12.52 +/- 2.99   3.138% *  0.0757% (0.61  1.00   0.02   0.02) =   0.003%
          HA    MET   92 - QE    LYS+  74  13.26 +/- 3.59   3.728% *  0.0278% (0.22  1.00   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 883 (1.48, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 0.8, support = 4.62, residual support = 186.8:
    *   T HB2   LYS+  74 - QE    LYS+  74   2.91 +/- 0.87  53.123% * 99.4757% (0.80 10.00   4.62 186.90) =  99.952%  kept
          HG2   LYS+  65 - QE    LYS+  74   8.16 +/- 4.31  21.536% *  0.0557% (0.45  1.00   0.02   0.02) =   0.023%
          QG2   THR   26 - QE    LYS+  74   9.29 +/- 2.05   6.746% *  0.0654% (0.53  1.00   0.02   0.02) =   0.008%
          HG    LEU   67 - QE    LYS+  74   9.66 +/- 2.94   9.371% *  0.0310% (0.25  1.00   0.02   0.02) =   0.005%
          HB3   LEU   40 - QE    LYS+  74  13.33 +/- 2.35   2.055% *  0.1114% (0.90  1.00   0.02   0.02) =   0.004%
          HG    LEU  115 - QE    LYS+  74  13.35 +/- 3.21   1.709% *  0.0853% (0.69  1.00   0.02   0.02) =   0.003%
          QB    ALA  120 - QE    LYS+  74  14.82 +/- 3.63   1.337% *  0.0853% (0.69  1.00   0.02   0.02) =   0.002%
          HB3   LEU  115 - QE    LYS+  74  13.86 +/- 3.68   1.970% *  0.0218% (0.18  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QE    LYS+  74  15.30 +/- 3.40   0.860% *  0.0466% (0.38  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QE    LYS+  74  12.57 +/- 1.46   1.291% *  0.0218% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.24 A violated in 0 structures by 0.25 A, kept.
 
    Peak 884 (1.24, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 186.9:
    * O T HG2   LYS+  74 - QE    LYS+  74   2.85 +/- 0.64  80.595% * 99.1206% (1.00  10.0 10.00   4.54 186.90) =  99.984%  kept
          HG13  ILE   19 - QE    LYS+  74   9.64 +/- 2.36   3.514% *  0.0915% (0.92   1.0  1.00   0.02   8.22) =   0.004%
        T HG3   LYS+ 111 - QE    LYS+  74  19.03 +/- 3.45   0.538% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   71 - QE    LYS+  74  11.59 +/- 1.79   1.981% *  0.0989% (1.00   1.0  1.00   0.02   0.28) =   0.002%
          QG2   ILE   56 - QE    LYS+  74  11.01 +/- 2.64   6.356% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  99 - QE    LYS+  74  17.11 +/- 3.55   1.176% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - QE    LYS+  74  12.90 +/- 2.73   2.212% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - QE    LYS+  74  13.20 +/- 2.40   1.625% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QE    LYS+  74  11.58 +/- 2.26   1.554% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - QE    LYS+  74  17.97 +/- 3.32   0.449% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 885 (0.98, 2.80, 41.81 ppm):
    8 chemical-shift based assignments, quality = 0.989, support = 4.0, residual support = 184.5:
    * O T HG3   LYS+  74 - QE    LYS+  74   2.95 +/- 0.34  56.969% * 93.7825% (1.00  10.0 10.00   4.00 186.90) =  98.455%  kept
          HB    VAL   75 - QE    LYS+  74   5.37 +/- 0.92  14.062% *  5.8021% (0.31   1.0  1.00   4.01  31.89) =   1.503%  kept
          QD1   LEU   67 - QE    LYS+  74   7.00 +/- 2.33  17.495% *  0.0866% (0.92   1.0  1.00   0.02   0.02) =   0.028%
          QD2   LEU   71 - QE    LYS+  74   9.05 +/- 1.60   4.169% *  0.0644% (0.69   1.0  1.00   0.02   0.28) =   0.005%
          QD1   ILE  103 - QE    LYS+  74  13.53 +/- 3.09   2.836% *  0.0531% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   40 - QE    LYS+  74  10.92 +/- 1.57   1.674% *  0.0841% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          QG2   ILE  103 - QE    LYS+  74  13.34 +/- 2.64   1.472% *  0.0919% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  119 - QE    LYS+  74  12.04 +/- 2.73   1.323% *  0.0352% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 886 (1.64, 2.80, 41.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 186.9:
    * O T HD2   LYS+  74 - QE    LYS+  74   2.28 +/- 0.12  83.421% * 99.2156% (1.00  10.0 10.00   4.97 186.90) =  99.986%  kept
          QD    LYS+  65 - QE    LYS+  74   7.91 +/- 3.83   9.281% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.006%
        T QD    LYS+  38 - QE    LYS+  74  16.61 +/- 3.23   0.665% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   57 - QE    LYS+  74   9.99 +/- 2.96   2.236% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  33 - QE    LYS+  74  12.22 +/- 3.09   2.525% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 121 - QE    LYS+  74  15.41 +/- 3.48   0.695% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - QE    LYS+  74  12.26 +/- 1.73   0.745% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  74  18.42 +/- 3.59   0.283% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QE    LYS+  74  20.48 +/- 3.58   0.150% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (2.80, 2.80, 41.81 ppm):
    1 diagonal assignment:
    *     QE    LYS+  74 - QE    LYS+  74  (1.00)  kept
 
    Peak 888 (3.71, 3.71, 61.73 ppm):
    1 diagonal assignment:
    *     HA    VAL   75 - HA    VAL   75  (1.00)  kept
 
    Peak 889 (1.00, 3.71, 61.73 ppm):
    7 chemical-shift based assignments, quality = 0.994, support = 3.44, residual support = 82.5:
    * O T HB    VAL   75 - HA    VAL   75   2.78 +/- 0.24  80.128% * 93.6657% (1.00  10.0 10.00   3.44  82.87) =  99.202%  kept
          HG3   LYS+  74 - HA    VAL   75   5.86 +/- 0.59  10.283% *  5.7920% (0.31   1.0  1.00   4.01  31.89) =   0.787%  kept
        T QD1   ILE  119 - HA    VAL   75  13.39 +/- 2.46   1.028% *  0.3851% (0.41   1.0 10.00   0.02   0.02) =   0.005%
          QD1   LEU   67 - HA    VAL   75   8.82 +/- 1.51   3.621% *  0.0493% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - HA    VAL   75  11.42 +/- 1.77   2.595% *  0.0530% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - HA    VAL   75  13.37 +/- 2.81   1.856% *  0.0385% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HA    VAL   75  16.61 +/- 2.39   0.490% *  0.0164% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 890 (0.44, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 82.9:
    * O T QG1   VAL   75 - HA    VAL   75   2.79 +/- 0.32  97.942% * 99.9055% (1.00  10.0 10.00   4.00  82.87) =  99.998%  kept
          QD1   LEU  115 - HA    VAL   75  12.51 +/- 2.75   2.058% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 891 (0.13, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 82.9:
    * O T QG2   VAL   75 - HA    VAL   75   2.27 +/- 0.33  95.999% * 99.9036% (1.00  10.0 10.00   4.00  82.87) =  99.996%  kept
          QG2   VAL   42 - HA    VAL   75   8.82 +/- 1.60   4.001% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.004%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 892 (3.71, 1.00, 35.37 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 82.9:
    * O T HA    VAL   75 - HB    VAL   75   2.78 +/- 0.24  86.421% * 99.7003% (1.00  10.0 10.00   3.44  82.87) =  99.994%  kept
          HA    ALA   61 - HB    VAL   75   8.04 +/- 2.88  11.360% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.003%
        T HA    ILE  119 - HB    VAL   75  15.27 +/- 2.56   0.738% *  0.1746% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - HB    VAL   75  14.27 +/- 2.82   0.974% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB    VAL   75  17.33 +/- 2.97   0.507% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 893 (1.00, 1.00, 35.37 ppm):
    1 diagonal assignment:
    *     HB    VAL   75 - HB    VAL   75  (1.00)  kept
 
    Peak 894 (0.44, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 82.9:
    * O T QG1   VAL   75 - HB    VAL   75   2.12 +/- 0.02  98.926% * 99.9055% (1.00  10.0 10.00   3.44  82.87) =  99.999%  kept
          QD1   LEU  115 - HB    VAL   75  11.32 +/- 2.45   1.074% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 895 (0.13, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 82.9:
    * O T QG2   VAL   75 - HB    VAL   75   2.11 +/- 0.02  97.109% * 99.0442% (1.00  10.0 10.00   3.31  82.87) =  99.971%  kept
        T QG2   VAL   42 - HB    VAL   75   7.37 +/- 1.23   2.891% *  0.9558% (0.97   1.0 10.00   0.02   0.02) =   0.029%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 896 (3.71, 0.44, 21.81 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 82.8:
    * O T HA    VAL   75 - QG1   VAL   75   2.79 +/- 0.32  83.175% * 99.6578% (1.00  10.0 10.00   4.00  82.87) =  99.963%  kept
        T HA    ALA   61 - QG1   VAL   75   7.98 +/- 2.57  12.966% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.035%
          HD3   PRO   58 - QG1   VAL   75  12.38 +/- 2.67   1.719% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE  119 - QG1   VAL   75  13.64 +/- 2.03   0.986% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG1   VAL   75  13.77 +/- 2.61   1.154% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 897 (1.00, 0.44, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.44, residual support = 82.7:
    * O T HB    VAL   75 - QG1   VAL   75   2.12 +/- 0.02  83.846% * 94.0097% (1.00  10.0 10.00   3.44  82.87) =  99.710%  kept
          HG3   LYS+  74 - QG1   VAL   75   6.42 +/- 0.74   3.856% *  5.7939% (0.31   1.0  1.00   3.99  31.89) =   0.283%  kept
          QD2   LEU   40 - QG1   VAL   75   9.19 +/- 1.70   4.932% *  0.0532% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   67 - QG1   VAL   75   7.47 +/- 1.36   4.614% *  0.0495% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          QG2   ILE  103 - QG1   VAL   75  10.49 +/- 2.18   1.263% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - QG1   VAL   75  10.77 +/- 2.03   1.093% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - QG1   VAL   75  13.29 +/- 1.58   0.396% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 898 (0.44, 0.44, 21.81 ppm):
    1 diagonal assignment:
    *     QG1   VAL   75 - QG1   VAL   75  (1.00)  kept
 
    Peak 899 (0.13, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 82.9:
    * O T QG2   VAL   75 - QG1   VAL   75   2.04 +/- 0.06  96.836% * 99.9036% (1.00  10.0 10.00   4.00  82.87) =  99.997%  kept
          QG2   VAL   42 - QG1   VAL   75   6.88 +/- 0.85   3.164% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 900 (3.71, 0.13, 21.81 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 82.9:
    * O T HA    VAL   75 - QG2   VAL   75   2.27 +/- 0.33  80.697% * 99.8572% (1.00  10.0 10.00   4.00  82.87) =  99.994%  kept
          HA    ALA   61 - QG2   VAL   75   7.88 +/- 2.55  17.841% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.005%
          HD3   PRO   58 - QG2   VAL   75  13.12 +/- 2.82   0.679% *  0.0896% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  119 - QG2   VAL   75  13.92 +/- 2.27   0.455% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   VAL   75  15.32 +/- 2.72   0.329% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (1.00, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.31, residual support = 82.8:
    * O T HB    VAL   75 - QG2   VAL   75   2.11 +/- 0.02  80.750% * 93.9995% (1.00  10.0 10.00   3.31  82.87) =  99.766%  kept
          HG3   LYS+  74 - QG2   VAL   75   6.56 +/- 0.58   2.941% *  5.8041% (0.31   1.0  1.00   4.00  31.89) =   0.224%  kept
          QD1   LEU   67 - QG2   VAL   75   6.96 +/- 1.53  10.168% *  0.0495% (0.53   1.0  1.00   0.02   0.02) =   0.007%
          QG2   ILE  103 - QG2   VAL   75  10.43 +/- 2.73   2.943% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - QG2   VAL   75   8.59 +/- 1.28   1.917% *  0.0532% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - QG2   VAL   75  11.20 +/- 2.11   0.802% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG2   VAL   75  12.97 +/- 2.23   0.479% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 902 (0.44, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 82.9:
    * O T QG1   VAL   75 - QG2   VAL   75   2.04 +/- 0.06  98.880% * 99.9055% (1.00  10.0 10.00   4.00  82.87) =  99.999%  kept
          QD1   LEU  115 - QG2   VAL   75  10.45 +/- 2.24   1.120% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 903 (0.13, 0.13, 21.81 ppm):
    1 diagonal assignment:
    *     QG2   VAL   75 - QG2   VAL   75  (1.00)  kept
 
    Peak 904 (5.02, 5.02, 52.40 ppm):
    2 diagonal assignments:
    *     HA    ASP-  76 - HA    ASP-  76  (1.00)  kept
          HA    LEU   67 - HA    LEU   67  (0.04)  kept
 
    Peak 905 (2.90, 5.02, 52.40 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 2.86, residual support = 35.3:
    * O T HB2   ASP-  76 - HA    ASP-  76   2.91 +/- 0.17  65.181% * 91.2716% (1.00  10.0 10.00   2.86  35.66) =  98.445%  kept
          HB2   ASP-  78 - HA    ASP-  76   5.66 +/- 0.74  10.498% *  4.6737% (0.73   1.0  1.00   1.41   4.86) =   0.812%  kept
        T QE    LYS+  66 - HA    LEU   67   6.06 +/- 1.46  13.262% *  3.3338% (0.04   1.0 10.00   3.50  15.68) =   0.732%  kept
        T QE    LYS+  33 - HA    ASP-  76  16.88 +/- 4.13   1.486% *  0.2032% (0.22   1.0 10.00   0.02   0.02) =   0.005%
        T QE    LYS+  66 - HA    ASP-  76  15.08 +/- 2.39   0.605% *  0.2032% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASN   69 - HA    LEU   67   6.93 +/- 0.93   5.830% *  0.0147% (0.16   1.0  1.00   0.02   2.95) =   0.001%
        T HB2   ASP-  76 - HA    LEU   67  16.53 +/- 2.67   0.566% *  0.1497% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - HA    ASP-  76  19.29 +/- 2.63   0.351% *  0.0895% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HA    LEU   67  15.31 +/- 3.87   0.874% *  0.0333% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  76  16.81 +/- 2.44   0.418% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LEU   67  19.97 +/- 3.03   0.304% *  0.0109% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LEU   67  20.33 +/- 4.00   0.624% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 906 (2.24, 5.02, 52.40 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 2.96, residual support = 35.7:
    * O T HB3   ASP-  76 - HA    ASP-  76   2.60 +/- 0.27  85.784% * 99.2676% (0.87  10.0 10.00   2.96  35.66) =  99.990%  kept
          HG2   GLU- 100 - HA    ASP-  76  21.94 +/- 4.83   3.397% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HG3   MET   92 - HA    ASP-  76  13.10 +/- 5.61   2.345% *  0.0993% (0.87   1.0  1.00   0.02   0.02) =   0.003%
        T HB3   ASP-  76 - HA    LEU   67  16.19 +/- 2.97   0.601% *  0.1629% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    ASP-  76  12.25 +/- 2.63   1.377% *  0.0390% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    ASP-  76  17.46 +/- 2.74   0.499% *  0.0875% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    ASP-  76  18.35 +/- 2.72   0.351% *  0.1134% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  76  12.07 +/- 2.86   1.932% *  0.0155% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  76  16.55 +/- 3.13   0.532% *  0.0430% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LEU   67  16.60 +/- 4.43   0.702% *  0.0186% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   67  13.83 +/- 3.20   0.968% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   67  21.62 +/- 3.47   0.275% *  0.0163% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LEU   67  20.12 +/- 5.15   0.293% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   67  20.01 +/- 3.24   0.272% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LEU   67  16.32 +/- 3.13   0.467% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   67  20.99 +/- 2.58   0.204% *  0.0025% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 907 (5.02, 2.90, 42.19 ppm):
    6 chemical-shift based assignments, quality = 0.99, support = 2.87, residual support = 35.4:
    * O T HA    ASP-  76 - HB2   ASP-  76   2.91 +/- 0.17  79.519% * 94.4931% (1.00  10.0 10.00   2.86  35.66) =  98.949%  kept
        T HA    LEU   67 - QE    LYS+  66   6.06 +/- 1.46  16.174% *  4.8987% (0.05   1.0 10.00   3.50  15.68) =   1.043%  kept
        T HA    ASP-  76 - QE    LYS+  33  16.88 +/- 4.13   1.812% *  0.1409% (0.15   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LEU   67 - HB2   ASP-  76  16.53 +/- 2.67   0.692% *  0.2356% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HA    ASP-  76 - QE    LYS+  66  15.08 +/- 2.39   0.736% *  0.1965% (0.21   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LEU   67 - QE    LYS+  33  15.31 +/- 3.87   1.066% *  0.0351% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 908 (2.90, 2.90, 42.19 ppm):
    3 diagonal assignments:
    *     HB2   ASP-  76 - HB2   ASP-  76  (1.00)  kept
          QE    LYS+  66 - QE    LYS+  66  (0.05)  kept
          QE    LYS+  33 - QE    LYS+  33  (0.03)  kept
 
    Peak 909 (2.24, 2.90, 42.19 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 2.83, residual support = 35.7:
    * O T HB3   ASP-  76 - HB2   ASP-  76   1.75 +/- 0.00  91.148% * 98.9845% (0.87  10.0 10.00   2.83  35.66) =  99.995%  kept
          HG2   GLU- 100 - HB2   ASP-  76  22.26 +/- 5.66   2.222% *  0.0914% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG3   MET   92 - HB2   ASP-  76  14.18 +/- 5.26   0.466% *  0.0990% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   ASP-  76 - QE    LYS+  66  15.84 +/- 3.04   0.213% *  0.2058% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  33  17.39 +/- 3.69   0.244% *  0.1476% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  33   7.29 +/- 1.44   1.969% *  0.0130% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   ASP-  76  13.19 +/- 2.65   0.334% *  0.0389% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ASP-  76  17.22 +/- 3.19   0.128% *  0.0872% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ASP-  76  12.41 +/- 3.04   0.700% *  0.0154% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   ASP-  76  19.63 +/- 3.01   0.089% *  0.1131% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  33  14.19 +/- 4.95   0.588% *  0.0136% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   ASP-  76  18.12 +/- 3.17   0.121% *  0.0428% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  66  17.96 +/- 3.90   0.190% *  0.0235% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  66  12.77 +/- 3.58   0.466% *  0.0089% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  66  21.52 +/- 3.89   0.132% *  0.0181% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  66  20.17 +/- 4.03   0.092% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  33  20.24 +/- 2.67   0.073% *  0.0169% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  66  22.38 +/- 4.62   0.065% *  0.0190% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  66  18.14 +/- 2.59   0.123% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  33  25.04 +/- 4.00   0.055% *  0.0148% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  33  17.03 +/- 1.97   0.131% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  33  20.87 +/- 4.29   0.329% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  33  22.23 +/- 3.14   0.056% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  66  20.79 +/- 2.77   0.066% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 910 (5.02, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.96, residual support = 35.7:
    * O T HA    ASP-  76 - HB3   ASP-  76   2.60 +/- 0.27  99.304% * 99.7513% (0.87  10.0 10.00   2.96  35.66) =  99.998%  kept
        T HA    LEU   67 - HB3   ASP-  76  16.19 +/- 2.97   0.696% *  0.2487% (0.22   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 911 (2.90, 2.24, 42.19 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.83, residual support = 35.6:
    * O T HB2   ASP-  76 - HB3   ASP-  76   1.75 +/- 0.00  91.056% * 97.7294% (0.87  10.0 10.00   2.83  35.66) =  99.839%  kept
          HB2   ASP-  78 - HB3   ASP-  76   4.76 +/- 1.42   8.236% *  1.7246% (0.63   1.0  1.00   0.49   4.86) =   0.159%  kept
        T QE    LYS+  33 - HB3   ASP-  76  17.39 +/- 3.69   0.245% *  0.2176% (0.19   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  66 - HB3   ASP-  76  15.84 +/- 3.04   0.213% *  0.2176% (0.19   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - HB3   ASP-  76  20.14 +/- 3.56   0.120% *  0.0958% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  76  17.12 +/- 2.99   0.130% *  0.0151% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 912 (2.24, 2.24, 42.19 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  76 - HB3   ASP-  76  (0.75)  kept
 
    Peak 913 (3.58, 3.58, 65.17 ppm):
    1 diagonal assignment:
    *     HA    THR   77 - HA    THR   77  (1.00)  kept
 
    Peak 914 (4.28, 3.58, 65.17 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 2.99, residual support = 37.2:
    * O T HB    THR   77 - HA    THR   77   2.62 +/- 0.21  83.820% * 93.3600% (1.00  10.0 10.00   3.00  37.44) =  99.446%  kept
          HA    GLU-  79 - HA    THR   77   6.14 +/- 0.39   7.106% *  6.0460% (0.69   1.0  1.00   1.89   0.02) =   0.546%  kept
          HA    ASP-  44 - HA    THR   77   9.98 +/- 2.58   2.170% *  0.0925% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   85 - HA    THR   77  11.26 +/- 2.51   1.674% *  0.0934% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR   39 - HA    THR   77  19.96 +/- 4.44   1.165% *  0.0566% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HA    THR   77  17.97 +/- 3.11   0.504% *  0.0915% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HA    THR   77  16.71 +/- 4.57   0.843% *  0.0454% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    THR   77  13.18 +/- 2.17   0.873% *  0.0350% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HA    THR   77  15.06 +/- 4.28   0.975% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    THR   77  23.21 +/- 4.38   0.486% *  0.0288% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA    THR   77  28.79 +/- 6.18   0.142% *  0.0915% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    THR   77  26.68 +/- 5.28   0.242% *  0.0384% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 915 (1.30, 3.58, 65.17 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.4:
    * O T QG2   THR   77 - HA    THR   77   2.46 +/- 0.30  94.617% * 99.7982% (1.00  10.0 10.00   3.00  37.44) =  99.997%  kept
          QB    ALA   88 - HA    THR   77  11.41 +/- 2.65   1.494% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HA    THR   77  23.14 +/- 5.90   1.571% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   23 - HA    THR   77  12.31 +/- 2.06   1.275% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    THR   77  21.27 +/- 3.86   0.814% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    THR   77  20.47 +/- 4.51   0.229% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.03 A, kept.
 
    Peak 916 (3.58, 4.28, 68.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.4:
    * O T HA    THR   77 - HB    THR   77   2.62 +/- 0.21  94.484% * 99.9104% (1.00  10.0 10.00   3.00  37.44) =  99.997%  kept
          HD2   PRO   93 - HB    THR   77  11.32 +/- 6.10   4.715% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HB2   TRP   27 - HB    THR   77  14.36 +/- 2.24   0.801% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 917 (4.28, 4.28, 68.30 ppm):
    1 diagonal assignment:
    *     HB    THR   77 - HB    THR   77  (1.00)  kept
 
    Peak 918 (1.30, 4.28, 68.30 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.71, residual support = 37.4:
    * O T QG2   THR   77 - HB    THR   77   2.16 +/- 0.01  96.483% * 99.5496% (1.00  10.0 10.00   2.71  37.44) =  99.996%  kept
        T QG2   THR   23 - HB    THR   77  13.36 +/- 2.20   0.663% *  0.2768% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   88 - HB    THR   77  11.71 +/- 3.14   1.560% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HB    THR   77  24.51 +/- 6.25   0.681% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB    THR   77  22.28 +/- 4.29   0.350% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB    THR   77  19.84 +/- 5.33   0.264% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 919 (3.58, 1.30, 23.34 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.4:
    * O T HA    THR   77 - QG2   THR   77   2.46 +/- 0.30  91.984% * 99.9104% (1.00  10.0 10.00   3.00  37.44) =  99.996%  kept
          HD2   PRO   93 - QG2   THR   77   8.93 +/- 5.14   6.532% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.003%
          HB2   TRP   27 - QG2   THR   77  11.33 +/- 1.53   1.484% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.03 A violated in 0 structures by 0.01 A, kept.
 
    Peak 920 (4.28, 1.30, 23.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.71, residual support = 37.3:
    * O T HB    THR   77 - QG2   THR   77   2.16 +/- 0.01  87.500% * 92.6507% (1.00  10.0 10.00   2.71  37.44) =  99.704%  kept
          HA    ASP-  44 - QG2   THR   77   7.65 +/- 2.71   3.472% *  6.7880% (0.99   1.0  1.00   1.48   0.02) =   0.290%  kept
          HA    GLU-  79 - QG2   THR   77   7.05 +/- 0.52   2.735% *  0.0636% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - QG2   THR   77   9.97 +/- 2.41   1.428% *  0.0927% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE  103 - QG2   THR   77  14.70 +/- 2.21   0.462% *  0.0908% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   39 - QG2   THR   77  16.71 +/- 3.25   0.618% *  0.0562% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   77  11.65 +/- 4.12   1.553% *  0.0206% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   77  13.19 +/- 4.17   0.684% *  0.0451% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   THR   77  11.77 +/- 1.89   0.671% *  0.0348% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   77  24.23 +/- 5.54   0.154% *  0.0908% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   THR   77  19.52 +/- 3.90   0.447% *  0.0286% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   THR   77  22.48 +/- 4.76   0.274% *  0.0381% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 921 (1.30, 1.30, 23.34 ppm):
    1 diagonal assignment:
    *     QG2   THR   77 - QG2   THR   77  (1.00)  kept
 
    Peak 922 (4.83, 4.83, 56.44 ppm):
    1 diagonal assignment:
    *     HA    ASP-  78 - HA    ASP-  78  (1.00)  kept
 
    Peak 923 (2.91, 4.83, 56.44 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.42, residual support = 39.3:
    * O T HB2   ASP-  78 - HA    ASP-  78   2.87 +/- 0.24  83.023% * 95.6227% (1.00  10.0 10.00   3.44  39.56) =  99.365%  kept
          HB2   ASP-  76 - HA    ASP-  78   5.89 +/- 0.84  12.161% *  4.1524% (0.73   1.0  1.00   1.20   4.86) =   0.632%  kept
          QE    LYS+  33 - HA    ASP-  78  20.35 +/- 4.99   1.248% *  0.0619% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  65 - HA    ASP-  78  15.96 +/- 5.70   1.894% *  0.0359% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HA    ASP-  78  12.87 +/- 1.28   1.092% *  0.0189% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  78  19.67 +/- 3.24   0.336% *  0.0503% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  78  24.45 +/- 3.56   0.246% *  0.0580% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 924 (2.78, 4.83, 56.44 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 39.6:
    * O T HB3   ASP-  78 - HA    ASP-  78   2.67 +/- 0.23  93.681% * 99.8720% (1.00  10.0 10.00   2.31  39.56) =  99.998%  kept
          QB    CYS   50 - HA    ASP-  78  12.06 +/- 4.29   3.828% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  74 - HA    ASP-  78  10.52 +/- 1.75   2.076% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   HIS  122 - HA    ASP-  78  23.77 +/- 3.23   0.187% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    ASP-  78  22.54 +/- 3.28   0.229% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 925 (4.83, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 3.43, residual support = 39.5:
    * O T HA    ASP-  78 - HB2   ASP-  78   2.87 +/- 0.24  86.315% * 97.1836% (1.00  10.0 10.00   3.44  39.56) =  99.701%  kept
          HA    LEU   80 - HB2   ASP-  78   7.24 +/- 1.16   9.256% *  2.6839% (0.49   1.0  1.00   1.13   6.16) =   0.295%  kept
          HA    THR   23 - HB2   ASP-  78  13.26 +/- 4.49   2.593% *  0.0843% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HB    THR   23 - HB2   ASP-  78  14.75 +/- 4.18   1.582% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 105 - HB2   ASP-  78  23.31 +/- 3.34   0.255% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 926 (2.91, 2.91, 41.22 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  78 - HB2   ASP-  78  (1.00)  kept
 
    Peak 927 (2.78, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.83, residual support = 39.6:
    * O T HB3   ASP-  78 - HB2   ASP-  78   1.75 +/- 0.00  98.213% * 99.8720% (1.00  10.0 10.00   2.83  39.56) =  99.999%  kept
          QE    LYS+  74 - HB2   ASP-  78   9.56 +/- 1.70   0.880% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   ASP-  78  12.32 +/- 4.57   0.772% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASP-  78  23.33 +/- 3.34   0.059% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASP-  78  22.23 +/- 3.95   0.075% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 928 (4.83, 2.78, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 39.6:
    * O T HA    ASP-  78 - HB3   ASP-  78   2.67 +/- 0.23  89.650% * 99.8154% (1.00  10.0 10.00   2.31  39.56) =  99.994%  kept
          HA    LEU   80 - HB3   ASP-  78   7.42 +/- 1.21   6.698% *  0.0486% (0.49   1.0  1.00   0.02   6.16) =   0.004%
          HA    THR   23 - HB3   ASP-  78  13.83 +/- 4.73   2.211% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   23 - HB3   ASP-  78  15.33 +/- 4.39   1.250% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB3   ASP-  78  23.25 +/- 3.08   0.191% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 929 (2.91, 2.78, 41.22 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 2.82, residual support = 39.5:
    * O T HB2   ASP-  78 - HB3   ASP-  78   1.75 +/- 0.00  92.860% * 96.1238% (1.00  10.0 10.00   2.83  39.56) =  99.763%  kept
          HB2   ASP-  76 - HB3   ASP-  78   5.25 +/- 1.14   5.793% *  3.6500% (0.73   1.0  1.00   1.05   4.86) =   0.236%  kept
          QE    LYS+  65 - HB3   ASP-  78  15.28 +/- 5.91   0.675% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  78  20.12 +/- 4.55   0.203% *  0.0622% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HB3   ASP-  78  13.97 +/- 1.91   0.326% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  78  19.76 +/- 3.42   0.085% *  0.0506% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  78  24.15 +/- 3.73   0.059% *  0.0583% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 930 (2.78, 2.78, 41.22 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  78 - HB3   ASP-  78  (1.00)  kept
 
    Peak 931 (4.27, 4.27, 58.55 ppm):
    1 diagonal assignment:
    *     HA    GLU-  79 - HA    GLU-  79  (1.00)  kept
 
    Peak 932 (2.31, 4.27, 58.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.4, residual support = 56.7:
    * O T HB2   GLU-  79 - HA    GLU-  79   2.94 +/- 0.22  93.961% * 98.4729% (1.00  10.0 10.00   4.40  56.73) =  99.991%  kept
        T HG3   GLU-  36 - HA    GLU-  79  25.59 +/- 5.27   0.357% *  0.9503% (0.97   1.0 10.00   0.02   0.02) =   0.004%
          HG2   MET   92 - HA    GLU-  79  14.53 +/- 4.89   2.314% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   52 - HA    GLU-  79  18.53 +/- 5.16   1.430% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HA    GLU-  79  25.36 +/- 5.49   0.315% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HA    GLU-  79  17.01 +/- 5.33   1.193% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HA    GLU-  79  20.04 +/- 3.78   0.431% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 933 (2.38, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.52, residual support = 56.7:
    * O T QG    GLU-  79 - HA    GLU-  79   2.49 +/- 0.26  97.853% * 99.7507% (1.00  10.0 10.00   3.52  56.73) =  99.999%  kept
          HB2   GLU- 100 - HA    GLU-  79  23.78 +/- 6.41   0.677% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    GLU-  79  20.68 +/- 3.57   0.216% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLU-  79  19.60 +/- 4.20   0.502% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  79  19.23 +/- 2.91   0.462% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU-  79  24.04 +/- 4.63   0.290% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 934 (4.27, 2.31, 31.53 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.39, residual support = 56.6:
    * O T HA    GLU-  79 - HB2   GLU-  79   2.94 +/- 0.22  85.633% * 97.2457% (1.00  10.0 10.00   4.40  56.73) =  99.807%  kept
          HB    THR   77 - HB2   GLU-  79   7.30 +/- 0.92   6.960% *  2.2404% (0.69   1.0  1.00   0.67   0.02) =   0.187%  kept
          HA    THR   39 - HB2   GLU-  79  20.57 +/- 4.88   1.363% *  0.0964% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  44 - HB2   GLU-  79  11.96 +/- 2.12   1.681% *  0.0590% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   GLU-  79  12.43 +/- 1.29   1.342% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB2   GLU-  79  16.68 +/- 4.04   1.180% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB2   GLU-  79  18.59 +/- 4.72   0.827% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB2   GLU-  79  19.09 +/- 3.92   0.799% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - HB2   GLU-  79  27.49 +/- 5.93   0.214% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 935 (2.31, 2.31, 31.53 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  79 - HB2   GLU-  79  (1.00)  kept
 
    Peak 936 (2.38, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.52, residual support = 56.7:
    * O T QG    GLU-  79 - HB2   GLU-  79   2.30 +/- 0.14  98.331% * 99.7507% (1.00  10.0 10.00   3.52  56.73) =  99.999%  kept
          HB2   GLU- 100 - HB2   GLU-  79  22.75 +/- 5.48   0.490% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   GLU-  79  19.60 +/- 3.71   0.239% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLU-  79  18.39 +/- 3.23   0.430% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLU-  79  22.74 +/- 4.54   0.218% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  79  18.05 +/- 2.29   0.291% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 937 (4.27, 2.38, 37.37 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.52, residual support = 56.7:
    * O T HA    GLU-  79 - QG    GLU-  79   2.49 +/- 0.26  86.684% * 99.4064% (1.00  10.0 10.00   3.52  56.73) =  99.988%  kept
          HA    THR   39 - QG    GLU-  79  19.17 +/- 4.73   4.020% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.005%
          HB    THR   77 - QG    GLU-  79   8.07 +/- 0.61   3.046% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY   51 - QG    GLU-  79  17.17 +/- 4.50   1.075% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - QG    GLU-  79  15.95 +/- 3.50   1.401% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - QG    GLU-  79  11.37 +/- 1.62   1.353% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QG    GLU-  79  11.78 +/- 2.03   1.278% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - QG    GLU-  79  17.79 +/- 4.32   0.896% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - QG    GLU-  79  24.67 +/- 5.89   0.247% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 938 (2.31, 2.38, 37.37 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.52, residual support = 56.7:
    * O T HB2   GLU-  79 - QG    GLU-  79   2.30 +/- 0.14  87.200% * 99.5443% (1.00  10.0 10.00   3.52  56.73) =  99.987%  kept
          HG2   MET   92 - QG    GLU-  79  13.23 +/- 3.95   6.071% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.007%
          HG2   PRO   52 - QG    GLU-  79  16.67 +/- 4.75   4.464% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HG3   GLU-  36 - QG    GLU-  79  22.27 +/- 4.79   0.696% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - QG    GLU-  79  14.15 +/- 5.01   1.063% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - QG    GLU-  79  18.00 +/- 3.20   0.286% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG    GLU-  79  22.27 +/- 5.21   0.220% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.03 A, kept.
 
    Peak 939 (2.38, 2.38, 37.37 ppm):
    1 diagonal assignment:
    *     QG    GLU-  79 - QG    GLU-  79  (1.00)  kept
 
    Peak 940 (4.81, 4.81, 52.21 ppm):
    1 diagonal assignment:
    *     HA    LEU   80 - HA    LEU   80  (1.00)  kept
 
    Peak 942 (0.56, 4.81, 52.21 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 5.68, residual support = 85.3:
    *   T QD1   LEU   80 - HA    LEU   80   2.70 +/- 0.72  82.032% * 98.6414% (0.65 10.00   5.69  85.37) =  99.952%  kept
        T QD2   LEU   98 - HA    LEU   80  13.67 +/- 3.97   2.399% *  0.9864% (0.65 10.00   0.02   0.02) =   0.029%
          QG2   VAL   41 - HA    LEU   80  13.55 +/- 4.22   8.034% *  0.1274% (0.84  1.00   0.02   0.02) =   0.013%
          QD1   LEU   73 - HA    LEU   80  11.52 +/- 3.34   5.942% *  0.0520% (0.34  1.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - HA    LEU   80  16.27 +/- 2.04   0.717% *  0.1408% (0.92  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HA    LEU   80  15.86 +/- 2.12   0.874% *  0.0520% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 3.51 A violated in 0 structures by 0.06 A, kept.
 
    Peak 943 (4.81, 1.41, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.33, residual support = 85.1:
    * O   HA    LEU   80 - HB2   LEU   80   2.75 +/- 0.18  84.873% * 96.2531% (1.00  10.0   5.34  85.37) =  99.697%  kept
          HA    ASP-  78 - HB2   LEU   80   7.20 +/- 1.14   7.408% *  2.6346% (0.49   1.0   1.12   6.16) =   0.238%  kept
          HA    THR   23 - HB2   LEU   80  11.84 +/- 6.40   5.418% *  0.9459% (0.80   1.0   0.25   0.74) =   0.063%
          HB    THR   23 - HB2   LEU   80  13.41 +/- 5.92   2.049% *  0.0929% (0.97   1.0   0.02   0.74) =   0.002%
          HA    ASP- 105 - HB2   LEU   80  20.73 +/- 3.06   0.252% *  0.0736% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 944 (1.41, 1.41, 40.36 ppm):
    1 diagonal assignment:
    *     HB2   LEU   80 - HB2   LEU   80  (1.00)  kept
 
    Peak 945 (0.56, 1.41, 40.36 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 4.95, residual support = 85.2:
    * O T QD1   LEU   80 - HB2   LEU   80   2.85 +/- 0.40  83.349% * 97.5236% (0.65  10.0 10.00   4.96  85.37) =  99.846%  kept
        T QG2   VAL   41 - HB2   LEU   80  12.45 +/- 3.96   7.055% *  1.2592% (0.84   1.0 10.00   0.02   0.02) =   0.109%  kept
        T QD2   LEU   98 - HB2   LEU   80  12.34 +/- 3.93   3.387% *  0.9752% (0.65   1.0 10.00   0.02   0.02) =   0.041%
          QD1   LEU   73 - HB2   LEU   80  10.48 +/- 3.27   4.562% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   63 - HB2   LEU   80  15.32 +/- 2.44   0.790% *  0.1392% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB2   LEU   80  14.90 +/- 2.63   0.858% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.06 A violated in 0 structures by 0.06 A, kept.
 
    Peak 946 (4.81, 0.56, 25.66 ppm):
    10 chemical-shift based assignments, quality = 0.645, support = 5.61, residual support = 84.0:
    *   T HA    LEU   80 - QD1   LEU   80   2.70 +/- 0.72  54.998% * 92.5653% (0.65 10.00   5.69  85.37) =  98.409%  kept
          HA    THR   23 - QD1   LEU   80  10.16 +/- 6.65  20.335% *  3.1532% (0.52  1.00   0.85   0.74) =   1.239%  kept
          HA    ASP-  78 - QD1   LEU   80   6.73 +/- 1.12   5.073% *  1.7459% (0.31  1.00   0.77   6.16) =   0.171%  kept
          HB    THR   23 - QD1   LEU   80  11.44 +/- 6.18   4.682% *  1.7742% (0.62  1.00   0.40   0.74) =   0.161%  kept
        T HA    LEU   80 - QD2   LEU   98  13.67 +/- 3.97   1.067% *  0.5306% (0.37 10.00   0.02   0.02) =   0.011%
          HA    ASP-  78 - QD2   LEU   98  15.12 +/- 4.31   7.842% *  0.0258% (0.18  1.00   0.02   0.02) =   0.004%
          HB    THR   23 - QD2   LEU   98  14.47 +/- 4.28   2.067% *  0.0512% (0.36  1.00   0.02   0.02) =   0.002%
          HA    ASP- 105 - QD2   LEU   98   8.88 +/- 0.91   2.015% *  0.0405% (0.28  1.00   0.02   6.15) =   0.002%
          HA    THR   23 - QD2   LEU   98  13.68 +/- 4.25   1.594% *  0.0425% (0.30  1.00   0.02   0.02) =   0.001%
          HA    ASP- 105 - QD1   LEU   80  18.57 +/- 2.72   0.329% *  0.0707% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.03 A, kept.
 
    Peak 948 (0.56, 0.56, 25.66 ppm):
    2 diagonal assignments:
    *     QD1   LEU   80 - QD1   LEU   80  (0.42)  kept
          QD2   LEU   98 - QD2   LEU   98  (0.24)  kept
 
    Peak 949 (4.10, 4.10, 60.05 ppm):
    1 diagonal assignment:
    *     HA    LYS+  81 - HA    LYS+  81  (1.00)  kept
 
    Peak 950 (1.87, 4.10, 60.05 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 5.17, residual support = 105.0:
    * O T QB    LYS+  81 - HA    LYS+  81   2.35 +/- 0.18  84.127% * 97.5498% (1.00  10.0 10.00   5.17 105.05) =  99.982%  kept
          HB3   GLN   90 - HA    LYS+  81   8.39 +/- 2.82   9.265% *  0.0967% (0.99   1.0  1.00   0.02   0.02) =   0.011%
        T HG2   ARG+  54 - HA    LYS+  81  19.85 +/- 3.92   0.245% *  0.8462% (0.87   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   PRO   68 - HA    LYS+  81  24.24 +/- 3.02   0.103% *  0.7811% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HA    LYS+  81  25.24 +/- 6.53   1.249% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HA    LYS+  81  11.76 +/- 3.76   2.660% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   PRO   52 - HA    LYS+  81  19.11 +/- 3.76   0.280% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    LYS+  81  15.53 +/- 2.49   0.425% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    LYS+  81  20.44 +/- 4.85   0.378% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  81  20.36 +/- 3.19   0.244% *  0.0875% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  81  19.35 +/- 3.61   0.260% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  81  19.47 +/- 3.40   0.219% *  0.0708% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  81  17.87 +/- 4.06   0.292% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+  81  21.40 +/- 3.92   0.167% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  81  26.52 +/- 3.65   0.086% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 951 (1.56, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.25, residual support = 105.0:
    * O T QG    LYS+  81 - HA    LYS+  81   2.68 +/- 0.64  96.502% * 98.1658% (1.00  10.0 10.00   4.25 105.05) =  99.979%  kept
        T HG2   LYS+ 106 - HA    LYS+  81  17.00 +/- 3.36   1.338% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.014%
        T HG2   LYS+  33 - HA    LYS+  81  21.69 +/- 4.66   0.751% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.007%
          HD3   LYS+  74 - HA    LYS+  81  14.27 +/- 1.49   1.000% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  81  20.91 +/- 3.77   0.408% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.13 A, kept.
 
    Peak 952 (1.77, 4.10, 60.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 105.0:
    *   T QD    LYS+  81 - HA    LYS+  81   3.86 +/- 0.68  89.739% * 99.7569% (1.00 10.00   3.44 105.05) =  99.991%  kept
          HB    VAL   43 - HA    LYS+  81  12.53 +/- 3.27   5.192% *  0.0989% (0.99  1.00   0.02   0.02) =   0.006%
          HB3   GLN   17 - HA    LYS+  81  22.22 +/- 4.70   3.713% *  0.0447% (0.45  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  99 - HA    LYS+  81  21.75 +/- 4.25   1.357% *  0.0995% (1.00  1.00   0.02   0.02) =   0.002%
    Distance limit 4.32 A violated in 0 structures by 0.06 A, kept.
 
    Peak 953 (3.11, 4.10, 60.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 105.1:
    *   T QE    LYS+  81 - HA    LYS+  81   3.99 +/- 0.31  97.278% * 99.9825% (1.00 10.00   3.44 105.05) = 100.000%  kept
          HB3   TRP   49 - HA    LYS+  81  15.67 +/- 3.37   2.722% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 5.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 954 (4.10, 1.87, 32.96 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.17, residual support = 105.0:
    * O T HA    LYS+  81 - QB    LYS+  81   2.35 +/- 0.18  92.306% * 98.7606% (1.00  10.0 10.00   5.17 105.05) =  99.993%  kept
        T HA    ARG+  54 - QB    LYS+  81  17.52 +/- 3.54   0.334% *  0.6389% (0.65   1.0 10.00   0.02   0.02) =   0.002%
        T HA    ARG+  54 - HB3   PRO   52   7.71 +/- 0.31   2.759% *  0.0733% (0.07   1.0 10.00   0.02   1.91) =   0.002%
          HA    GLU-  36 - QB    LYS+  81  25.24 +/- 6.50   0.936% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  81 - HB3   PRO   52  19.11 +/- 3.76   0.307% *  0.1133% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   PRO   52  12.56 +/- 3.24   1.851% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - QB    LYS+  81  19.36 +/- 2.56   0.211% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    LYS+  81  16.90 +/- 4.70   0.521% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    LYS+  81  29.14 +/- 4.15   0.076% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB3   PRO   52  20.72 +/- 3.16   0.188% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    LYS+  81  21.18 +/- 2.58   0.180% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   PRO   52  24.00 +/- 4.72   0.173% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   PRO   52  33.69 +/- 3.63   0.038% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   PRO   52  26.52 +/- 3.96   0.120% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (1.87, 1.87, 32.96 ppm):
    2 diagonal assignments:
    *     QB    LYS+  81 - QB    LYS+  81  (1.00)  kept
          HB3   PRO   52 - HB3   PRO   52  (0.02)  kept
 
    Peak 956 (1.56, 1.87, 32.96 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.78, residual support = 105.0:
    * O T QG    LYS+  81 - QB    LYS+  81   2.10 +/- 0.03  95.389% * 97.8497% (1.00  10.0 10.00   4.78 105.05) =  99.992%  kept
        T HG2   LYS+ 106 - QB    LYS+  81  17.03 +/- 3.20   0.451% *  0.9698% (0.99   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   LYS+  33 - QB    LYS+  81  20.56 +/- 4.63   0.269% *  0.8173% (0.84   1.0 10.00   0.02   0.02) =   0.002%
        T QG    LYS+  81 - HB3   PRO   52  17.79 +/- 3.76   0.340% *  0.1122% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - HB3   PRO   52  19.76 +/- 3.39   0.174% *  0.1113% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  81  13.88 +/- 1.47   0.375% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   PRO   52  11.15 +/- 4.36   2.460% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HB3   PRO   52  29.46 +/- 3.54   0.047% *  0.0938% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  81  19.95 +/- 3.42   0.182% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   PRO   52  18.30 +/- 4.41   0.313% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 957 (1.77, 1.87, 32.96 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 105.1:
    * O T QD    LYS+  81 - QB    LYS+  81   2.19 +/- 0.13  97.246% * 99.6151% (1.00  10.0 10.00   3.94 105.05) =  99.998%  kept
          HB    VAL   43 - QB    LYS+  81  13.08 +/- 2.90   0.708% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QB    LYS+  81  21.05 +/- 4.43   1.019% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HB3   PRO   52  18.00 +/- 3.60   0.330% *  0.1143% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    LYS+  81  21.22 +/- 4.26   0.354% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HB3   PRO   52  18.36 +/- 2.31   0.212% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   52  26.27 +/- 2.61   0.063% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   PRO   52  26.72 +/- 4.55   0.067% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 958 (3.11, 1.87, 32.96 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 105.0:
    *     QE    LYS+  81 - QB    LYS+  81   2.74 +/- 0.59  94.529% * 99.8429% (1.00   3.94 105.05) =  99.998%  kept
          HB3   TRP   49 - QB    LYS+  81  14.06 +/- 3.27   1.741% *  0.0888% (0.18   0.02   0.02) =   0.002%
          QE    LYS+  81 - HB3   PRO   52  17.64 +/- 4.19   0.782% *  0.0581% (0.11   0.02   0.02) =   0.000%
          HB3   TRP   49 - HB3   PRO   52   9.89 +/- 1.17   2.948% *  0.0102% (0.02   0.02   3.06) =   0.000%
    Distance limit 4.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 959 (4.10, 1.56, 25.02 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.25, residual support = 105.0:
    * O T HA    LYS+  81 - QG    LYS+  81   2.68 +/- 0.64  82.429% * 98.8267% (1.00  10.0 10.00   4.25 105.05) =  99.987%  kept
        T HA    LYS+  81 - HG2   LYS+  33  21.69 +/- 4.66   0.638% *  0.4732% (0.48   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LYS+  81 - HG2   LYS+ 106  17.00 +/- 3.36   1.141% *  0.2174% (0.22   1.0 10.00   0.02   0.02) =   0.003%
          HA    GLU-  36 - HG2   LYS+  33   8.29 +/- 0.65   3.969% *  0.0464% (0.47   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  36 - QG    LYS+  81  25.52 +/- 6.55   1.686% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HA    ARG+  54 - QG    LYS+  81  17.54 +/- 3.34   0.490% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+  33   8.89 +/- 0.69   3.438% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    LYS+  81  17.11 +/- 4.74   0.861% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QG    LYS+  81  29.22 +/- 4.04   0.112% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+  33  26.28 +/- 4.39   0.265% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+ 106  19.83 +/- 3.63   0.453% *  0.0141% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+  33  27.67 +/- 6.02   0.176% *  0.0362% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+ 106  12.05 +/- 2.88   1.793% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+ 106  23.20 +/- 4.97   0.272% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QG    LYS+  81  19.47 +/- 3.02   0.288% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   LYS+ 106  23.97 +/- 3.65   0.202% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+  33  18.73 +/- 3.26   0.557% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QG    LYS+  81  21.14 +/- 3.00   0.224% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+ 106  17.70 +/- 3.32   0.400% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+ 106  21.62 +/- 3.67   0.430% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+  33  24.67 +/- 2.13   0.177% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 960 (1.87, 1.56, 25.02 ppm):
    45 chemical-shift based assignments, quality = 0.781, support = 5.05, residual support = 120.1:
    * O T QB    LYS+  81 - QG    LYS+  81   2.10 +/- 0.03  33.991% * 56.3968% (1.00  10.0 10.00   4.78 105.05) =  64.337%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.25 +/- 0.08  27.767% * 26.0585% (0.46  10.0 10.00   5.63 153.50) =  24.285%  kept
      O T QB    LYS+ 106 - HG2   LYS+ 106   2.28 +/- 0.13  27.093% * 12.3813% (0.22  10.0 10.00   5.38 135.48) =  11.258%  kept
          HB3   ASP- 105 - HG2   LYS+ 106   6.57 +/- 0.76   1.293% *  2.5042% (0.20   1.0  1.00   4.50  22.22) =   0.109%  kept
        T QB    LYS+  33 - QG    LYS+  81  19.55 +/- 4.76   0.112% *  0.5443% (0.97   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+ 106 - QG    LYS+  81  15.70 +/- 2.58   0.106% *  0.5627% (1.00   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLN   90 - QG    LYS+  81   8.64 +/- 2.33   0.928% *  0.0559% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE  103 - HG2   LYS+ 106   5.73 +/- 1.36   2.646% *  0.0104% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HG2   LYS+  33   5.49 +/- 1.00   2.604% *  0.0101% (0.18   1.0  1.00   0.02   0.31) =   0.001%
        T QB    LYS+  81 - HG2   LYS+  33  20.56 +/- 4.63   0.092% *  0.2700% (0.48   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HG2   LYS+ 106  17.03 +/- 3.20   0.158% *  0.1241% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - HG2   LYS+  33  19.65 +/- 2.24   0.047% *  0.2694% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QG    LYS+  81  17.79 +/- 3.76   0.118% *  0.0870% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  11.49 +/- 4.25   0.683% *  0.0141% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  24.15 +/- 6.39   0.187% *  0.0319% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  19.68 +/- 2.28   0.047% *  0.1198% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  18.31 +/- 3.77   0.093% *  0.0489% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.50 +/- 1.22   0.233% *  0.0153% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  19.39 +/- 3.53   0.074% *  0.0471% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  20.24 +/- 3.13   0.066% *  0.0506% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  18.61 +/- 2.95   0.069% *  0.0410% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  14.55 +/- 2.79   0.194% *  0.0123% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  18.14 +/- 3.56   0.094% *  0.0216% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  22.99 +/- 3.37   0.043% *  0.0452% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  17.44 +/- 4.12   0.089% *  0.0212% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  25.12 +/- 4.44   0.054% *  0.0268% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  20.13 +/- 3.28   0.055% *  0.0242% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  19.50 +/- 3.73   0.059% *  0.0226% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+ 106  19.76 +/- 3.39   0.060% *  0.0191% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  16.84 +/- 3.48   0.101% *  0.0090% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+  33  29.46 +/- 3.54   0.016% *  0.0417% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  21.04 +/- 5.08   0.064% *  0.0099% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  21.34 +/- 3.69   0.057% *  0.0108% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  25.35 +/- 3.59   0.029% *  0.0196% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  28.14 +/- 4.56   0.024% *  0.0234% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  20.26 +/- 3.24   0.050% *  0.0076% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  19.26 +/- 4.54   0.225% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  20.72 +/- 4.37   0.049% *  0.0070% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  15.25 +/- 1.55   0.101% *  0.0031% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  18.40 +/- 2.47   0.059% *  0.0047% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG    LYS+  81  25.10 +/- 3.67   0.030% *  0.0087% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  25.64 +/- 3.39   0.025% *  0.0067% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 106  19.63 +/- 3.99   0.063% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  23.58 +/- 2.87   0.030% *  0.0037% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+  33  26.18 +/- 4.16   0.022% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 961 (1.56, 1.56, 25.02 ppm):
    3 diagonal assignments:
    *     QG    LYS+  81 - QG    LYS+  81  (1.00)  kept
          HG2   LYS+  33 - HG2   LYS+  33  (0.40)  kept
          HG2   LYS+ 106 - HG2   LYS+ 106  (0.22)  kept
 
    Peak 962 (1.77, 1.56, 25.02 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.78, residual support = 105.0:
    * O T QD    LYS+  81 - QG    LYS+  81   2.07 +/- 0.03  92.901% * 98.8994% (1.00  10.0 10.00   3.78 105.05) =  99.996%  kept
        T QD    LYS+  81 - HG2   LYS+  33  22.19 +/- 4.88   0.160% *  0.4735% (0.48   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  81 - HG2   LYS+ 106  18.07 +/- 3.83   0.294% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   43 - QG    LYS+  81  13.27 +/- 3.28   0.591% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   43 - HG2   LYS+ 106   9.11 +/- 2.61   1.813% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+  33  11.83 +/- 3.36   1.405% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    LYS+  81  21.41 +/- 4.20   0.250% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+  33  16.07 +/- 4.60   0.484% *  0.0472% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+ 106  10.61 +/- 1.59   0.911% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG    LYS+  81  21.22 +/- 4.27   0.353% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+  33  14.81 +/- 1.81   0.326% *  0.0469% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 106  22.28 +/- 5.21   0.512% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 963 (3.11, 1.56, 25.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.78, residual support = 105.1:
    * O   QE    LYS+  81 - QG    LYS+  81   2.16 +/- 0.15  98.270% * 99.9005% (1.00  10.0   3.78 105.05) = 100.000%  kept
          HB3   TRP   49 - QG    LYS+  81  14.00 +/- 3.61   0.722% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+  33  22.34 +/- 4.95   0.219% *  0.0478% (0.48   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+ 106  17.60 +/- 3.44   0.260% *  0.0220% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+ 106  21.51 +/- 4.98   0.451% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+  33  28.85 +/- 4.39   0.078% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 964 (4.10, 1.77, 29.62 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 105.0:
    *   T HA    LYS+  81 - QD    LYS+  81   3.86 +/- 0.68  91.895% * 99.7133% (1.00 10.00   3.44 105.05) =  99.995%  kept
          HA    GLU-  36 - QD    LYS+  81  26.83 +/- 6.62   2.949% *  0.0977% (0.98  1.00   0.02   0.02) =   0.003%
          HA    ARG+  54 - QD    LYS+  81  17.98 +/- 3.51   1.663% *  0.0645% (0.65  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - QD    LYS+  81  18.36 +/- 4.89   1.591% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QD    LYS+  81  30.07 +/- 4.20   0.340% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QD    LYS+  81  20.18 +/- 3.14   0.849% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QD    LYS+  81  22.20 +/- 3.29   0.712% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.04 A, kept.
 
    Peak 965 (1.87, 1.77, 29.62 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 105.0:
    * O T QB    LYS+  81 - QD    LYS+  81   2.19 +/- 0.13  92.422% * 98.9997% (1.00  10.0 10.00   3.94 105.05) =  99.994%  kept
          HB3   GLN   90 - QD    LYS+  81   8.78 +/- 2.40   2.929% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.003%
        T HB3   PRO   52 - QD    LYS+  81  18.00 +/- 3.60   0.314% *  0.1528% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   92 - QD    LYS+  81  11.84 +/- 4.12   1.663% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  81  20.75 +/- 4.94   0.368% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  81  16.37 +/- 3.05   0.320% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  81  25.36 +/- 6.38   0.425% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  81  18.61 +/- 3.80   0.251% *  0.0859% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  81  21.12 +/- 3.74   0.223% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  81  20.32 +/- 4.04   0.232% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  81  19.21 +/- 3.28   0.235% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  81  23.96 +/- 3.75   0.156% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  81  18.82 +/- 4.24   0.225% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  81  21.06 +/- 3.29   0.147% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD    LYS+  81  25.87 +/- 3.83   0.091% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 966 (1.56, 1.77, 29.62 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.78, residual support = 105.0:
    * O T QG    LYS+  81 - QD    LYS+  81   2.07 +/- 0.03  99.073% * 98.1658% (1.00  10.0 10.00   3.78 105.05) =  99.995%  kept
        T HG2   LYS+ 106 - QD    LYS+  81  18.07 +/- 3.83   0.314% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  33 - QD    LYS+  81  22.19 +/- 4.88   0.171% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QD    LYS+  81  15.19 +/- 1.43   0.279% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  81  20.41 +/- 4.28   0.163% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 967 (1.77, 1.77, 29.62 ppm):
    1 diagonal assignment:
    *     QD    LYS+  81 - QD    LYS+  81  (1.00)  kept
 
    Peak 968 (3.11, 1.77, 29.62 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 105.1:
    * O   QE    LYS+  81 - QD    LYS+  81   2.09 +/- 0.03  99.306% * 99.9825% (1.00  10.0   3.00 105.05) = 100.000%  kept
          HB3   TRP   49 - QD    LYS+  81  13.94 +/- 3.61   0.694% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 969 (4.10, 3.11, 42.12 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 105.0:
    *   T HA    LYS+  81 - QE    LYS+  81   3.99 +/- 0.31  91.967% * 99.7133% (1.00 10.00   3.44 105.05) =  99.995%  kept
          HA    GLU-  36 - QE    LYS+  81  26.77 +/- 6.73   2.031% *  0.0977% (0.98  1.00   0.02   0.02) =   0.002%
          HA    ARG+  54 - QE    LYS+  81  17.78 +/- 3.69   2.122% *  0.0645% (0.65  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - QE    LYS+  81  18.38 +/- 4.70   1.703% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QE    LYS+  81  29.73 +/- 4.05   0.336% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QE    LYS+  81  19.67 +/- 3.46   1.108% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QE    LYS+  81  22.15 +/- 3.00   0.733% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.14 A, kept.
 
    Peak 973 (3.11, 3.11, 42.12 ppm):
    1 diagonal assignment:
    *     QE    LYS+  81 - QE    LYS+  81  (1.00)  kept
 
    Peak 974 (4.20, 4.20, 61.23 ppm):
    2 diagonal assignments:
    *     HA    SER   82 - HA    SER   82  (1.00)  kept
          HA    GLU-  25 - HA    GLU-  25  (0.20)  kept
 
    Peak 975 (3.99, 4.20, 61.23 ppm):
    20 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 33.2:
    * O T HB2   SER   82 - HA    SER   82   2.73 +/- 0.23  83.575% * 97.1708% (0.95  10.0 10.00   2.96  33.26) =  99.973%  kept
        T HB2   SER   82 - HA    GLU-  25  16.41 +/- 8.12   2.652% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.010%
        T HA    SER   48 - HA    SER   82  15.63 +/- 2.58   0.605% *  0.9717% (0.95   1.0 10.00   0.02   0.02) =   0.007%
          HA    ALA   88 - HA    SER   82   8.62 +/- 0.42   2.904% *  0.0785% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLU-  29 - HA    GLU-  25   7.25 +/- 0.33   4.928% *  0.0289% (0.28   1.0  1.00   0.02   0.02) =   0.002%
        T HA    SER   48 - HA    GLU-  25  21.28 +/- 4.79   0.381% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.001%
        T HA    VAL   70 - HA    SER   82  23.78 +/- 3.97   0.171% *  0.4223% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HA    VAL   70 - HA    GLU-  25  19.47 +/- 1.87   0.294% *  0.1368% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    SER   82  21.38 +/- 5.88   0.368% *  0.0891% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    GLU-  25  12.07 +/- 0.74   1.075% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    SER   82  21.55 +/- 3.54   0.251% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   82  23.28 +/- 6.21   0.254% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    GLU-  25  13.99 +/- 0.84   0.710% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   82  24.73 +/- 6.07   0.229% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    SER   82  20.57 +/- 3.36   0.293% *  0.0540% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    GLU-  25  16.08 +/- 1.37   0.458% *  0.0298% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    GLU-  25  20.09 +/- 4.79   0.394% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   82  26.03 +/- 2.96   0.125% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    GLU-  25  25.99 +/- 4.67   0.205% *  0.0175% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    GLU-  25  26.73 +/- 4.30   0.126% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 976 (3.85, 4.20, 61.23 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 33.3:
    * O T HB3   SER   82 - HA    SER   82   2.90 +/- 0.14  87.363% * 98.8194% (1.00  10.0 10.00   2.00  33.26) =  99.984%  kept
        T HB3   SER   82 - HA    GLU-  25  15.97 +/- 7.76   2.811% *  0.3201% (0.32   1.0 10.00   0.02   0.02) =   0.010%
          HA    ILE   89 - HA    SER   82  10.50 +/- 0.92   1.978% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   CYS   53 - HA    SER   82  19.99 +/- 2.92   0.362% *  0.1956% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   39 - HA    SER   82  23.62 +/- 5.84   0.608% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HA    GLU-  25   9.64 +/- 0.33   2.419% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   CYS   53 - HA    GLU-  25  24.04 +/- 4.44   0.614% *  0.0634% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   82  26.06 +/- 5.57   0.384% *  0.0857% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   82  26.01 +/- 6.24   0.444% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   82  21.45 +/- 3.67   0.330% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   82  21.33 +/- 4.97   0.320% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    GLU-  25  18.85 +/- 3.00   0.497% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    GLU-  25  17.89 +/- 2.33   0.466% *  0.0267% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    GLU-  25  18.31 +/- 1.57   0.382% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    GLU-  25  19.64 +/- 3.29   0.371% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    GLU-  25  27.10 +/- 4.85   0.264% *  0.0207% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   82  24.47 +/- 2.29   0.160% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    GLU-  25  24.88 +/- 4.14   0.227% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 977 (4.20, 3.99, 61.93 ppm):
    15 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 33.2:
    * O T HA    SER   82 - HB2   SER   82   2.73 +/- 0.23  85.460% * 97.8439% (0.95  10.0 10.00   2.96  33.26) =  99.972%  kept
        T HA    GLU-  25 - HB2   SER   82  16.41 +/- 8.12   2.718% *  0.5935% (0.57   1.0 10.00   0.02   0.02) =   0.019%
        T HA    SER   82 - HA    SER   48  15.63 +/- 2.58   0.619% *  0.5372% (0.52   1.0 10.00   0.02   0.02) =   0.004%
        T HA    GLU-  25 - HA    SER   48  21.28 +/- 4.79   0.389% *  0.3259% (0.32   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLU-  25 - HA    VAL   70  19.47 +/- 1.87   0.300% *  0.2061% (0.20   1.0 10.00   0.02   0.02) =   0.001%
        T HA    SER   82 - HA    VAL   70  23.78 +/- 3.97   0.175% *  0.3397% (0.33   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  62 - HA    SER   48  16.51 +/- 4.97   3.241% *  0.0149% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   19 - HA    VAL   70  11.27 +/- 3.26   2.683% *  0.0128% (0.12   1.0  1.00   0.02   0.13) =   0.000%
          HA    CYS   53 - HA    SER   48  10.67 +/- 1.56   1.847% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    VAL   70  11.96 +/- 0.88   1.177% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   SER   82  20.46 +/- 3.07   0.267% *  0.0367% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    SER   48  20.02 +/- 4.38   0.334% *  0.0202% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   SER   82  22.22 +/- 3.21   0.266% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB2   SER   82  23.88 +/- 3.10   0.164% *  0.0272% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    VAL   70  19.01 +/- 2.94   0.361% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 978 (3.99, 3.99, 61.93 ppm):
    3 diagonal assignments:
    *     HB2   SER   82 - HB2   SER   82  (0.89)  kept
          HA    SER   48 - HA    SER   48  (0.49)  kept
          HA    VAL   70 - HA    VAL   70  (0.14)  kept
 
    Peak 979 (3.85, 3.99, 61.93 ppm):
    27 chemical-shift based assignments, quality = 0.946, support = 2.33, residual support = 33.3:
    * O T HB3   SER   82 - HB2   SER   82   1.75 +/- 0.00  88.383% * 96.7159% (0.95  10.0 10.00   2.33  33.26) =  99.986%  kept
        T HD3   PRO   52 - HA    SER   48   9.27 +/- 1.73   1.435% *  0.3435% (0.34   1.0 10.00   0.02   0.02) =   0.006%
        T HB3   SER   37 - HA    VAL   70  10.24 +/- 2.62   0.888% *  0.2307% (0.23   1.0 10.00   0.02   0.02) =   0.002%
          HB    THR   39 - HA    VAL   70   7.62 +/- 2.84   4.180% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   SER   82 - HA    SER   48  16.52 +/- 3.07   0.169% *  0.5310% (0.52   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   PRO   52 - HB2   SER   82  22.68 +/- 4.00   0.085% *  0.6257% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HA    SER   48  13.18 +/- 2.96   1.308% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.001%
        T QB    SER   13 - HA    VAL   70  16.10 +/- 4.12   0.162% *  0.2913% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HB2   SER   82  12.17 +/- 0.90   0.277% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    VAL   70  23.22 +/- 3.99   0.052% *  0.3358% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    SER   48   8.44 +/- 1.54   1.285% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    VAL   70  22.83 +/- 3.66   0.061% *  0.2172% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   SER   82  22.96 +/- 6.20   0.127% *  0.0808% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   SER   82  25.14 +/- 6.45   0.093% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB2   SER   82  20.25 +/- 5.71   0.107% *  0.0548% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    VAL   70  13.18 +/- 2.29   0.308% *  0.0190% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   SER   82  24.94 +/- 5.56   0.064% *  0.0839% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   48  22.79 +/- 4.48   0.149% *  0.0301% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   48  18.74 +/- 3.31   0.249% *  0.0164% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   48  23.59 +/- 3.89   0.068% *  0.0444% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    VAL   70  19.73 +/- 2.98   0.087% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   48  26.43 +/- 5.29   0.041% *  0.0461% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    VAL   70  16.35 +/- 2.74   0.152% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   48  26.36 +/- 4.46   0.042% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   SER   82  21.04 +/- 2.96   0.067% *  0.0191% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   82  25.29 +/- 2.32   0.033% *  0.0299% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    VAL   70  18.93 +/- 3.21   0.126% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 980 (4.20, 3.85, 61.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 33.2:
    * O T HA    SER   82 - HB3   SER   82   2.90 +/- 0.14  95.948% * 99.1601% (1.00  10.0 10.00   2.00  33.26) =  99.980%  kept
        T HA    GLU-  25 - HB3   SER   82  15.97 +/- 7.76   3.087% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.020%
        T HA    CYS   53 - HB3   SER   82  21.99 +/- 3.46   0.362% *  0.1737% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   19 - HB3   SER   82  19.99 +/- 3.11   0.374% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB3   SER   82  23.54 +/- 3.12   0.228% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 981 (3.99, 3.85, 61.93 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.33, residual support = 33.3:
    * O T HB2   SER   82 - HB3   SER   82   1.75 +/- 0.00  98.727% * 97.6038% (0.95  10.0 10.00   2.33  33.26) =  99.996%  kept
        T HA    SER   48 - HB3   SER   82  16.52 +/- 3.07   0.189% *  0.9760% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   PRO   52 - HB3   SER   82  21.64 +/- 3.91   0.101% *  0.5429% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HB3   SER   82  10.63 +/- 0.75   0.471% *  0.0789% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   82  23.22 +/- 3.99   0.058% *  0.4242% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB3   SER   82  19.84 +/- 6.41   0.159% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   SER   82  20.54 +/- 3.56   0.089% *  0.0925% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB3   SER   82  22.02 +/- 6.54   0.096% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   82  23.32 +/- 6.23   0.076% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   82  26.60 +/- 2.99   0.033% *  0.0424% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 982 (3.85, 3.85, 61.93 ppm):
    1 diagonal assignment:
    *     HB3   SER   82 - HB3   SER   82  (1.00)  kept
 
    Peak 983 (3.81, 3.81, 65.84 ppm):
    1 diagonal assignment:
    *     HA    VAL   83 - HA    VAL   83  (1.00)  kept
 
    Peak 984 (1.66, 3.81, 65.84 ppm):
    12 chemical-shift based assignments, quality = 0.896, support = 3.97, residual support = 85.6:
    * O T HB    VAL   83 - HA    VAL   83   2.78 +/- 0.16  90.368% * 96.5761% (0.90  10.0 10.00   3.97  85.61) =  99.940%  kept
        T QD    LYS+  38 - HA    VAL   83  21.72 +/- 6.66   4.836% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.046%
        T HD2   LYS+  74 - HA    VAL   83  15.95 +/- 2.33   0.646% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.006%
        T QD    LYS+  65 - HA    VAL   83  20.02 +/- 3.49   0.337% *  1.0187% (0.95   1.0 10.00   0.02   0.02) =   0.004%
        T QB    ALA   57 - HA    VAL   83  18.19 +/- 3.47   0.544% *  0.4828% (0.45   1.0 10.00   0.02   0.02) =   0.003%
          HG3   PRO   93 - HA    VAL   83  17.08 +/- 3.30   1.428% *  0.0240% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    VAL   83  17.61 +/- 4.72   0.732% *  0.0404% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    VAL   83  25.24 +/- 2.81   0.144% *  0.1039% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    VAL   83  18.08 +/- 4.34   0.609% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    VAL   83  24.51 +/- 3.54   0.173% *  0.0443% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    VAL   83  29.24 +/- 3.10   0.096% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    VAL   83  30.31 +/- 3.37   0.087% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 985 (0.60, 3.81, 65.84 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.18, residual support = 85.6:
    * O T QG1   VAL   83 - HA    VAL   83   2.27 +/- 0.24  87.481% * 99.1145% (0.87  10.0 10.00   4.18  85.61) =  99.952%  kept
          QD2   LEU   80 - HA    VAL   83   5.97 +/- 1.02   6.918% *  0.5654% (0.80   1.0  1.00   0.12   0.14) =   0.045%
          QG2   ILE   89 - HA    VAL   83   6.94 +/- 0.86   3.783% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HA    VAL   83  11.95 +/- 2.85   1.057% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HA    VAL   83  16.69 +/- 2.92   0.284% *  0.1103% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   83  18.27 +/- 2.16   0.202% *  0.0873% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   83  16.93 +/- 1.94   0.276% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 986 (0.08, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.36, residual support = 85.5:
    * O T QG2   VAL   83 - HA    VAL   83   2.86 +/- 0.38  87.972% * 98.4315% (1.00  10.0 10.00   4.37  85.61) =  99.846%  kept
          QD1   ILE   89 - HA    VAL   83   7.00 +/- 1.28   8.742% *  1.4970% (0.90   1.0  1.00   0.34   0.02) =   0.151%  kept
          QD2   LEU   31 - HA    VAL   83  12.67 +/- 4.82   3.287% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 987 (3.81, 1.66, 32.03 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 85.6:
    * O T HA    VAL   83 - HB    VAL   83   2.78 +/- 0.16  91.070% * 97.8171% (0.90  10.0 10.00   3.97  85.61) =  99.970%  kept
        T HA    LYS+  38 - HB    VAL   83  20.94 +/- 6.48   7.053% *  0.1936% (0.18   1.0 10.00   0.02   0.02) =   0.015%
        T HA    GLU- 100 - HB    VAL   83  19.07 +/- 5.63   0.922% *  0.9760% (0.89   1.0 10.00   0.02   0.02) =   0.010%
        T HD2   PRO   58 - HB    VAL   83  21.33 +/- 3.58   0.399% *  0.9695% (0.89   1.0 10.00   0.02   0.02) =   0.004%
          HB2   CYS   53 - HB    VAL   83  18.47 +/- 3.24   0.556% *  0.0439% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 988 (1.66, 1.66, 32.03 ppm):
    1 diagonal assignment:
    *     HB    VAL   83 - HB    VAL   83  (0.80)  kept
 
    Peak 989 (0.60, 1.66, 32.03 ppm):
    7 chemical-shift based assignments, quality = 0.778, support = 4.26, residual support = 85.4:
    * O T QG1   VAL   83 - HB    VAL   83   2.12 +/- 0.01  70.891% * 99.1145% (0.78  10.0 10.00   4.27  85.61) =  99.804%  kept
          QD2   LEU   80 - HB    VAL   83   4.23 +/- 1.40  24.096% *  0.5654% (0.72   1.0  1.00   0.12   0.14) =   0.194%  kept
          QG2   ILE   89 - HB    VAL   83   6.59 +/- 1.24   3.261% *  0.0285% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HB    VAL   83  10.73 +/- 2.91   1.138% *  0.0470% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB    VAL   83  16.16 +/- 3.02   0.228% *  0.1103% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   83  17.25 +/- 2.22   0.156% *  0.0873% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   83  15.50 +/- 2.23   0.230% *  0.0470% (0.37   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 990 (0.08, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.896, support = 4.43, residual support = 85.5:
    * O T QG2   VAL   83 - HB    VAL   83   2.13 +/- 0.02  92.653% * 98.4315% (0.90  10.0 10.00   4.44  85.61) =  99.906%  kept
          QD1   ILE   89 - HB    VAL   83   6.72 +/- 1.71   5.668% *  1.4970% (0.80   1.0  1.00   0.34   0.02) =   0.093%
          QD2   LEU   31 - HB    VAL   83  11.93 +/- 4.61   1.679% *  0.0715% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 991 (3.81, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.18, residual support = 85.6:
    * O T HA    VAL   83 - QG1   VAL   83   2.27 +/- 0.24  96.296% * 99.7372% (0.87  10.0 10.00   4.18  85.61) =  99.998%  kept
          HA    GLU- 100 - QG1   VAL   83  15.35 +/- 4.89   0.942% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - QG1   VAL   83  16.94 +/- 5.53   2.048% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG1   VAL   83  18.54 +/- 2.79   0.289% *  0.0989% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - QG1   VAL   83  16.34 +/- 2.63   0.424% *  0.0447% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 992 (1.66, 0.60, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.778, support = 4.27, residual support = 85.6:
    * O T HB    VAL   83 - QG1   VAL   83   2.12 +/- 0.01  87.367% * 99.3915% (0.78  10.0 10.00   4.27  85.61) =  99.989%  kept
          QD    LYS+  38 - QG1   VAL   83  17.11 +/- 5.68   8.335% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.008%
          HD2   LYS+  74 - QG1   VAL   83  11.94 +/- 2.16   0.695% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QG1   VAL   83  14.35 +/- 4.34   0.925% *  0.0416% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG1   VAL   83  15.62 +/- 2.89   0.310% *  0.1048% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG1   VAL   83  14.50 +/- 2.98   1.008% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG1   VAL   83  14.77 +/- 2.86   0.405% *  0.0497% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG1   VAL   83  20.41 +/- 2.53   0.122% *  0.1070% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG1   VAL   83  13.67 +/- 3.64   0.558% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG1   VAL   83  20.86 +/- 3.11   0.121% *  0.0456% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG1   VAL   83  23.73 +/- 2.88   0.081% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG1   VAL   83  24.61 +/- 3.06   0.072% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 993 (0.60, 0.60, 22.78 ppm):
    1 diagonal assignment:
    *     QG1   VAL   83 - QG1   VAL   83  (0.75)  kept
 
    Peak 994 (0.08, 0.60, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.866, support = 4.61, residual support = 84.7:
    * O T QG2   VAL   83 - QG1   VAL   83   2.08 +/- 0.02  88.496% * 86.7446% (0.87  10.0 10.00   4.65  85.61) =  98.978%  kept
        T QD1   ILE   89 - QG1   VAL   83   6.04 +/- 1.32   5.979% * 13.1924% (0.78   1.0 10.00   0.34   0.02) =   1.017%  kept
          QD2   LEU   31 - QG1   VAL   83   9.39 +/- 4.35   5.525% *  0.0630% (0.63   1.0  1.00   0.02   0.02) =   0.004%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 995 (3.81, 0.08, 20.84 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.37, residual support = 85.6:
    * O T HA    VAL   83 - QG2   VAL   83   2.86 +/- 0.38  82.135% * 99.7372% (1.00  10.0 10.00   4.37  85.61) =  99.993%  kept
          HA    LYS+  38 - QG2   VAL   83  16.54 +/- 5.30  13.917% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLU- 100 - QG2   VAL   83  15.22 +/- 4.49   2.014% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HD2   PRO   58 - QG2   VAL   83  16.83 +/- 2.86   0.659% *  0.0989% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - QG2   VAL   83  14.67 +/- 2.46   1.275% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 996 (1.66, 0.08, 20.84 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 4.44, residual support = 85.6:
    * O T HB    VAL   83 - QG2   VAL   83   2.13 +/- 0.02  86.615% * 99.3915% (0.90  10.0 10.00   4.44  85.61) =  99.990%  kept
          QD    LYS+  38 - QG2   VAL   83  16.87 +/- 5.14   6.939% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.007%
          HD2   LYS+  74 - QG2   VAL   83  10.90 +/- 2.23   0.985% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QG2   VAL   83  12.61 +/- 3.01   2.614% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - QG2   VAL   83  14.51 +/- 2.99   0.445% *  0.1048% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QG2   VAL   83  13.39 +/- 2.88   0.696% *  0.0497% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG2   VAL   83  14.08 +/- 3.79   0.662% *  0.0416% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG2   VAL   83  18.85 +/- 2.26   0.149% *  0.1070% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG2   VAL   83  13.79 +/- 3.34   0.530% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG2   VAL   83  19.04 +/- 3.11   0.175% *  0.0456% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG2   VAL   83  22.12 +/- 2.64   0.100% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG2   VAL   83  22.99 +/- 2.84   0.090% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 997 (0.60, 0.08, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.863, support = 4.62, residual support = 84.9:
    * O T QG1   VAL   83 - QG2   VAL   83   2.08 +/- 0.02  67.382% * 93.7363% (0.87  10.0 10.00   4.65  85.61) =  99.123%  kept
        T QG2   ILE   89 - QG2   VAL   83   4.60 +/- 1.00   8.185% *  5.4532% (0.25   1.0 10.00   0.40   0.02) =   0.700%  kept
          QD2   LEU   80 - QG2   VAL   83   4.01 +/- 1.08  20.593% *  0.5347% (0.80   1.0  1.00   0.12   0.14) =   0.173%  kept
          QD1   LEU   73 - QG2   VAL   83   8.39 +/- 2.35   2.683% *  0.0444% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - QG2   VAL   83  12.59 +/- 2.51   0.432% *  0.1043% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - QG2   VAL   83  13.46 +/- 1.89   0.296% *  0.0826% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - QG2   VAL   83  12.03 +/- 1.62   0.430% *  0.0444% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 998 (0.08, 0.08, 20.84 ppm):
    1 diagonal assignment:
    *     QG2   VAL   83 - QG2   VAL   83  (1.00)  kept
 
    Peak 999 (3.68, 3.68, 55.33 ppm):
    1 diagonal assignment:
    *     HA    ALA   84 - HA    ALA   84  (0.93)  kept
 
    Peak 1000 (1.35, 3.68, 55.33 ppm):
    17 chemical-shift based assignments, quality = 0.931, support = 2.77, residual support = 17.7:
    * O T QB    ALA   84 - HA    ALA   84   2.12 +/- 0.02  89.247% * 99.1332% (0.93  10.0 10.00   2.77  17.68) =  99.992%  kept
          HB3   LEU   80 - HA    ALA   84   6.53 +/- 1.02   3.830% *  0.0746% (0.70   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HA    ALA   84  11.15 +/- 1.95   1.196% *  0.0948% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    ALA   84  13.84 +/- 3.48   0.872% *  0.1025% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HA    ALA   84  12.38 +/- 2.15   0.836% *  0.0972% (0.91   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    ALA   84  12.85 +/- 2.88   0.680% *  0.0422% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   84  23.72 +/- 5.92   1.117% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   84  17.22 +/- 1.93   0.200% *  0.0858% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   84  17.51 +/- 4.25   0.242% *  0.0582% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   84  13.51 +/- 1.95   0.495% *  0.0229% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   84  14.73 +/- 2.63   0.456% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   84  19.37 +/- 3.49   0.161% *  0.0500% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ALA   84  25.35 +/- 2.77   0.060% *  0.1018% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   84  19.92 +/- 3.35   0.144% *  0.0317% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   84  19.73 +/- 3.49   0.160% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   84  20.26 +/- 3.40   0.148% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   84  19.59 +/- 3.44   0.156% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1001 (3.68, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.931, support = 2.77, residual support = 17.7:
    * O T HA    ALA   84 - QB    ALA   84   2.12 +/- 0.02  98.154% * 99.6067% (0.93  10.0 10.00   2.77  17.68) =  99.998%  kept
          HA2   GLY  109 - QB    ALA   84  13.65 +/- 3.04   0.938% *  0.0862% (0.81   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - QB    ALA   84  13.54 +/- 2.36   0.538% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR  118 - QB    ALA   84  18.06 +/- 2.28   0.193% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QB    ALA   84  18.14 +/- 2.14   0.177% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1002 (1.35, 1.35, 18.25 ppm):
    1 diagonal assignment:
    *     QB    ALA   84 - QB    ALA   84  (0.93)  kept
 
    Peak 1003 (4.28, 4.28, 61.37 ppm):
    1 diagonal assignment:
    *     HA    SER   85 - HA    SER   85  (1.00)  kept
 
    Peak 1004 (3.96, 4.28, 61.37 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.26, residual support = 18.0:
    * O T QB    SER   85 - HA    SER   85   2.43 +/- 0.12  56.517% * 98.0072% (1.00  10.0 10.00   2.26  18.03) =  99.968%  kept
          HA    ALA   88 - HA    SER   85   2.82 +/- 0.46  40.219% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.020%
        T QB    SER   48 - HA    SER   85  13.43 +/- 2.68   0.646% *  0.5944% (0.61   1.0 10.00   0.02   0.02) =   0.007%
        T HD2   PRO   52 - HA    SER   85  18.91 +/- 3.58   0.222% *  0.4771% (0.49   1.0 10.00   0.02   0.02) =   0.002%
        T HA2   GLY   51 - HA    SER   85  20.81 +/- 3.77   0.181% *  0.3343% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA    SER   85  10.66 +/- 1.64   0.816% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HA    SER   85  26.98 +/- 6.52   0.288% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QB    SER  117 - HA    SER   85  21.28 +/- 2.92   0.112% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HA    SER   85  15.22 +/- 3.08   0.676% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   85  23.34 +/- 3.04   0.081% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   85  23.36 +/- 5.36   0.154% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   85  27.74 +/- 2.97   0.044% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   85  27.57 +/- 3.23   0.044% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1005 (4.28, 3.96, 63.04 ppm):
    36 chemical-shift based assignments, quality = 0.992, support = 2.27, residual support = 18.0:
    * O T HA    SER   85 - QB    SER   85   2.43 +/- 0.12  61.461% * 91.4185% (1.00  10.0 10.00   2.26  18.03) =  98.667%  kept
          HA    ASP-  86 - QB    SER   85   3.99 +/- 0.23  14.977% *  4.9657% (0.38   1.0  1.00   2.89  13.44) =   1.306%  kept
        T HA1   GLY   51 - QB    SER   48   8.82 +/- 1.20   2.054% *  0.1085% (0.12   1.0 10.00   0.02   0.02) =   0.004%
        T HA    ILE  103 - QB    SER   85  17.08 +/- 3.02   0.240% *  0.8961% (0.98   1.0 10.00   0.02   0.02) =   0.004%
        T HA    ILE  103 - QB    SER   48  20.61 +/- 4.54   0.910% *  0.2185% (0.24   1.0 10.00   0.02   0.02) =   0.003%
          HB    THR   77 - QB    SER   48   9.69 +/- 5.03   6.843% *  0.0223% (0.24   1.0  1.00   0.02   0.02) =   0.003%
        T HA    SER   85 - QB    SER   48  13.43 +/- 2.68   0.660% *  0.2229% (0.24   1.0 10.00   0.02   0.02) =   0.003%
        T HA    THR   39 - QB    SER   85  22.28 +/- 4.84   0.174% *  0.5545% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HB    THR   77 - QB    SER   85  11.12 +/- 2.45   0.968% *  0.0914% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T HA1   GLY   51 - QB    SER   85  19.73 +/- 3.05   0.166% *  0.4450% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    SER   85  10.70 +/- 1.03   0.788% *  0.0628% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ILE  103 - QB    SER  117  15.87 +/- 3.43   0.343% *  0.1383% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    SER   48  11.40 +/- 5.33   2.636% *  0.0153% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QB    SER   85  14.04 +/- 1.70   0.403% *  0.0906% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QB    SER  117  12.94 +/- 2.53   2.307% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   39 - QB    SER   48  22.59 +/- 4.06   0.231% *  0.1352% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HA    THR   39 - QB    SER  117  20.47 +/- 4.08   0.208% *  0.0856% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER  117  21.28 +/- 2.92   0.125% *  0.1411% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   48  12.46 +/- 1.48   0.739% *  0.0221% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  17.32 +/- 2.68   0.238% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   85  30.62 +/- 7.02   0.173% *  0.0896% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   85  28.84 +/- 6.27   0.231% *  0.0376% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER  117  18.88 +/- 4.23   0.503% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   85  26.31 +/- 4.68   0.122% *  0.0282% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER   48  16.05 +/- 2.93   0.369% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  20.00 +/- 3.35   0.151% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER  117  22.19 +/- 4.32   0.312% *  0.0097% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  12.22 +/- 1.99   0.776% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  14.04 +/- 2.13   0.400% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   48  30.99 +/- 6.25   0.073% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   48  29.21 +/- 5.84   0.066% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER  117  32.30 +/- 5.43   0.043% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER  117  22.73 +/- 2.70   0.102% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   48  26.29 +/- 4.81   0.067% *  0.0069% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER  117  30.08 +/- 5.23   0.066% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER  117  26.81 +/- 4.53   0.075% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1006 (3.96, 3.96, 63.04 ppm):
    3 diagonal assignments:
    *     QB    SER   85 - QB    SER   85  (1.00)  kept
          QB    SER   48 - QB    SER   48  (0.15)  kept
          QB    SER  117 - QB    SER  117  (0.02)  kept
 
    Peak 1007 (4.30, 4.30, 57.50 ppm):
    1 diagonal assignment:
    *     HA    ASP-  86 - HA    ASP-  86  (1.00)  kept
 
    Peak 1008 (2.94, 4.30, 57.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.56, residual support = 42.5:
    * O T HB2   ASP-  86 - HA    ASP-  86   3.02 +/- 0.06  96.422% * 99.6568% (1.00  10.0 10.00   3.56  42.53) =  99.998%  kept
          HB2   ASN   28 - HA    ASP-  86  17.86 +/- 6.36   1.097% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HA    ASP-  86  23.64 +/- 6.71   0.841% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    ASP-  86  20.83 +/- 3.86   0.508% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  86  23.12 +/- 3.50   0.266% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASP-  86  15.84 +/- 1.57   0.866% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1009 (2.44, 4.30, 57.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 42.5:
    * O T HB3   ASP-  86 - HA    ASP-  86   2.65 +/- 0.12  96.557% * 98.9853% (1.00  10.0 10.00   2.31  42.53) =  99.997%  kept
        T HB3   ASP-  62 - HA    ASP-  86  24.37 +/- 2.75   0.174% *  0.7565% (0.76   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - HA    ASP-  86  13.00 +/- 1.17   0.896% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    ASP-  86  12.66 +/- 2.73   1.140% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  86  20.98 +/- 5.79   0.338% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    ASP-  86  22.13 +/- 4.18   0.278% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  86  26.15 +/- 6.36   0.295% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    ASP-  86  18.09 +/- 1.28   0.321% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1010 (4.30, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.995, support = 3.55, residual support = 42.3:
    * O T HA    ASP-  86 - HB2   ASP-  86   3.02 +/- 0.06  82.906% * 94.7257% (1.00  10.0 10.00   3.56  42.53) =  99.264%  kept
          HA    SER   85 - HB2   ASP-  86   5.78 +/- 0.19  11.910% *  4.8667% (0.38   1.0  1.00   2.74  13.44) =   0.733%  kept
          HA    ASP-  44 - HB2   ASP-  86  13.09 +/- 2.00   1.377% *  0.0425% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - HB2   ASP-  86  12.39 +/- 2.13   1.571% *  0.0356% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  104 - HB2   ASP-  86  18.46 +/- 3.26   0.463% *  0.0688% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   ASP-  86  25.57 +/- 4.77   0.337% *  0.0939% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  86  15.05 +/- 3.60   1.043% *  0.0263% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  86  28.64 +/- 6.43   0.222% *  0.0945% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   ASP-  86  30.82 +/- 7.08   0.170% *  0.0461% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1011 (2.94, 2.94, 40.49 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  86 - HB2   ASP-  86  (1.00)  kept
 
    Peak 1012 (2.44, 2.94, 40.49 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.85, residual support = 42.5:
    * O T HB3   ASP-  86 - HB2   ASP-  86   1.75 +/- 0.00  98.433% * 99.6638% (1.00  10.0 10.00   2.85  42.53) =  99.999%  kept
          HG3   MET   96 - HB2   ASP-  86  11.06 +/- 3.08   0.631% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   ASP-  86  11.33 +/- 1.29   0.407% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  86  19.28 +/- 5.43   0.126% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   ASP-  86  22.12 +/- 2.36   0.057% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   ASP-  86  20.88 +/- 4.05   0.089% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  86  24.21 +/- 6.22   0.132% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   ASP-  86  16.64 +/- 1.52   0.125% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1013 (4.30, 2.44, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.997, support = 2.31, residual support = 42.4:
    * O T HA    ASP-  86 - HB3   ASP-  86   2.65 +/- 0.12  88.400% * 94.7253% (1.00  10.0 10.00   2.31  42.53) =  99.513%  kept
          HA    SER   85 - HB3   ASP-  86   5.90 +/- 0.38   8.398% *  4.8671% (0.38   1.0  1.00   2.74  13.44) =   0.486%  kept
          HB    THR   77 - HB3   ASP-  86  12.88 +/- 2.08   1.175% *  0.0356% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   ASP-  86  14.02 +/- 1.82   0.729% *  0.0425% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   ASP-  86  19.33 +/- 3.15   0.305% *  0.0688% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  86  26.16 +/- 4.63   0.207% *  0.0939% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  86  15.90 +/- 3.32   0.559% *  0.0263% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  86  29.11 +/- 6.32   0.125% *  0.0945% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  86  31.20 +/- 7.02   0.102% *  0.0461% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1014 (2.94, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.85, residual support = 42.5:
    * O T HB2   ASP-  86 - HB3   ASP-  86   1.75 +/- 0.00  99.035% * 99.6568% (1.00  10.0 10.00   2.85  42.53) =  99.999%  kept
          HB2   ASN   28 - HB3   ASP-  86  16.27 +/- 6.37   0.312% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB3   ASP-  86  22.33 +/- 6.42   0.164% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  86  19.25 +/- 3.71   0.114% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  86  21.66 +/- 3.56   0.069% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASP-  86  14.19 +/- 1.79   0.307% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1015 (2.44, 2.44, 40.49 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  86 - HB3   ASP-  86  (1.00)  kept
 
    Peak 1016 (4.34, 4.34, 57.63 ppm):
    1 diagonal assignment:
    *     HA    TRP   87 - HA    TRP   87  (1.00)  kept
 
    Peak 1017 (3.41, 4.34, 57.63 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.6:
    * O T HB2   TRP   87 - HA    TRP   87   2.32 +/- 0.16  99.746% * 99.9010% (1.00  10.0 10.00   4.31  70.63) = 100.000%  kept
          HB2   PHE   60 - HA    TRP   87  18.84 +/- 3.00   0.254% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1018 (2.50, 4.34, 57.63 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.6:
    * O T HB3   TRP   87 - HA    TRP   87   2.95 +/- 0.09  98.809% * 99.8563% (1.00  10.0 10.00   4.31  70.63) =  99.999%  kept
          HG2   GLU-  25 - HA    TRP   87  19.42 +/- 5.45   0.935% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    TRP   87  23.41 +/- 3.51   0.256% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1019 (4.34, 3.41, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.6:
    * O T HA    TRP   87 - HB2   TRP   87   2.32 +/- 0.16  99.081% * 99.8808% (1.00  10.0 10.00   4.31  70.63) = 100.000%  kept
          HA    LEU  104 - HB2   TRP   87  15.03 +/- 2.69   0.475% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   TRP   87  19.38 +/- 3.21   0.259% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   TRP   87  25.76 +/- 4.58   0.185% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1020 (3.41, 3.41, 28.05 ppm):
    1 diagonal assignment:
    *     HB2   TRP   87 - HB2   TRP   87  (1.00)  kept
 
    Peak 1021 (2.50, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 70.6:
    * O T HB3   TRP   87 - HB2   TRP   87   1.75 +/- 0.00  99.746% * 99.8563% (1.00  10.0 10.00   4.00  70.63) = 100.000%  kept
          HG2   GLU-  25 - HB2   TRP   87  19.01 +/- 4.77   0.185% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   TRP   87  21.73 +/- 3.45   0.069% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1022 (4.34, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.6:
    * O T HA    TRP   87 - HB3   TRP   87   2.95 +/- 0.09  98.335% * 99.3033% (1.00  10.0 10.00   4.31  70.63) =  99.996%  kept
        T HA    PHE   59 - HB3   TRP   87  18.75 +/- 3.12   0.628% *  0.6424% (0.65   1.0 10.00   0.02   0.02) =   0.004%
          HA    LEU  104 - HB3   TRP   87  15.72 +/- 2.21   0.774% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   TRP   87  25.89 +/- 4.18   0.263% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1023 (3.41, 2.50, 28.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 70.6:
    * O T HB2   TRP   87 - HB3   TRP   87   1.75 +/- 0.00  99.816% * 99.9010% (1.00  10.0 10.00   4.00  70.63) = 100.000%  kept
          HB2   PHE   60 - HB3   TRP   87  16.27 +/- 3.10   0.184% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1024 (2.50, 2.50, 28.05 ppm):
    1 diagonal assignment:
    *     HB3   TRP   87 - HB3   TRP   87  (1.00)  kept
 
    Peak 1025 (3.98, 3.98, 52.68 ppm):
    1 diagonal assignment:
    *     HA    ALA   88 - HA    ALA   88  (1.00)  kept
 
    Peak 1026 (1.31, 3.98, 52.68 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 12.0:
    * O T QB    ALA   88 - HA    ALA   88   2.13 +/- 0.01  96.819% * 99.6403% (1.00  10.0 10.00   2.31  11.97) =  99.998%  kept
          QG2   THR   77 - HA    ALA   88  10.55 +/- 3.05   1.666% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    ALA   88  11.59 +/- 1.49   0.829% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   88  26.42 +/- 5.17   0.134% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   88  21.95 +/- 2.64   0.111% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   88  19.52 +/- 2.96   0.154% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   88  20.09 +/- 4.44   0.168% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   88  20.96 +/- 2.29   0.119% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1027 (3.98, 1.31, 16.77 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 12.0:
    * O T HA    ALA   88 - QB    ALA   88   2.13 +/- 0.01  78.278% * 97.3461% (1.00  10.0 10.00   2.31  11.97) =  99.818%  kept
        T HA    SER   48 - QB    ALA   88  13.45 +/- 3.91  14.437% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.170%  kept
        T HD2   PRO   52 - QB    ALA   88  15.75 +/- 3.53   0.418% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   SER   82 - QB    ALA   88  10.59 +/- 0.44   0.643% *  0.5511% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          QB    SER   85 - QB    ALA   88   5.46 +/- 0.36   4.920% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN   32 - QB    ALA   88  19.33 +/- 3.97   0.273% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   88  21.13 +/- 3.71   0.338% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    ALA   88  18.60 +/- 3.26   0.175% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   88  19.08 +/- 3.41   0.158% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA   88  22.58 +/- 5.21   0.212% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA   88  19.73 +/- 2.99   0.149% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1028 (1.31, 1.31, 16.77 ppm):
    1 diagonal assignment:
    *     QB    ALA   88 - QB    ALA   88  (1.00)  kept
 
    Peak 1029 (3.87, 3.87, 59.74 ppm):
    1 diagonal assignment:
    *     HA    ILE   89 - HA    ILE   89  (1.00)  kept
 
    Peak 1030 (1.74, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 215.6:
    * O T HB    ILE   89 - HA    ILE   89   2.96 +/- 0.06  90.788% * 99.6008% (0.80  10.0 10.00   5.44 215.66) =  99.986%  kept
        T HB    VAL   43 - HA    ILE   89   9.49 +/- 1.79   4.092% *  0.2769% (0.22   1.0 10.00   0.02   0.02) =   0.013%
          QD    LYS+  81 - HA    ILE   89  10.15 +/- 1.67   2.818% *  0.0218% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HA    ILE   89  14.16 +/- 3.15   1.511% *  0.0346% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HA    ILE   89  18.80 +/- 1.69   0.386% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    ILE   89  18.39 +/- 1.49   0.405% *  0.0192% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1031 (0.63, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.41, residual support = 215.7:
    * O T QG2   ILE   89 - HA    ILE   89   2.62 +/- 0.24  96.033% * 99.9320% (1.00  10.0 10.00   6.41 215.66) =  99.998%  kept
          QG1   VAL   83 - HA    ILE   89   8.65 +/- 1.11   3.327% *  0.0526% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - HA    ILE   89  14.87 +/- 1.68   0.640% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1032 (1.22, 3.87, 59.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.78, residual support = 215.7:
    * O T HG12  ILE   89 - HA    ILE   89   2.41 +/- 0.31  96.633% * 99.3078% (1.00  10.0 10.00   5.78 215.66) =  99.998%  kept
        T HG3   LYS+  99 - HA    ILE   89  20.42 +/- 1.72   0.199% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HA    ILE   89  15.43 +/- 2.78   0.587% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HA    ILE   89  14.71 +/- 2.42   0.806% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    ILE   89  17.39 +/- 4.35   0.947% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   89  21.27 +/- 3.52   0.370% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    ILE   89  20.29 +/- 3.19   0.257% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   89  20.97 +/- 3.00   0.200% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1033 (3.87, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 215.6:
    * O T HA    ILE   89 - HB    ILE   89   2.96 +/- 0.06  84.262% * 99.2091% (0.80  10.0 10.00   5.44 215.66) =  99.985%  kept
        T HA    ILE   89 - HB    VAL   43   9.49 +/- 1.79   3.800% *  0.2167% (0.17   1.0 10.00   0.02   0.02) =   0.010%
          HB3   SER   82 - HB    ILE   89   9.96 +/- 1.04   2.416% *  0.0681% (0.55   1.0  1.00   0.02   0.02) =   0.002%
          HB3   SER   37 - HB    ILE   89  23.04 +/- 4.34   0.543% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - HB    ILE   89  20.22 +/- 3.54   0.474% *  0.0957% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR  118 - HB    VAL   43  13.26 +/- 3.24   2.359% *  0.0173% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    ILE   89  17.37 +/- 2.70   0.503% *  0.0794% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    ILE   89  25.01 +/- 4.63   0.293% *  0.0938% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    VAL   43  13.91 +/- 1.25   0.907% *  0.0209% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    VAL   43  14.99 +/- 3.58   1.082% *  0.0149% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    VAL   43  16.72 +/- 1.88   0.544% *  0.0217% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    ILE   89  17.18 +/- 2.75   0.595% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    ILE   89  19.35 +/- 3.14   0.542% *  0.0153% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    VAL   43  20.63 +/- 2.81   0.295% *  0.0205% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    VAL   43  13.74 +/- 1.82   0.992% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    VAL   43  18.53 +/- 2.07   0.393% *  0.0043% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1034 (1.74, 1.74, 34.76 ppm):
    2 diagonal assignments:
    *     HB    ILE   89 - HB    ILE   89  (0.64)  kept
          HB    VAL   43 - HB    VAL   43  (0.04)  kept
 
    Peak 1035 (0.63, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.88, residual support = 215.6:
    * O T QG2   ILE   89 - HB    ILE   89   2.12 +/- 0.01  84.573% * 99.5317% (0.80  10.0 10.00   5.88 215.66) =  99.986%  kept
        T QG2   ILE   89 - HB    VAL   43   6.88 +/- 1.47   3.830% *  0.2174% (0.17   1.0 10.00   0.02   0.02) =   0.010%
          QG1   VAL   83 - HB    ILE   89   6.70 +/- 1.07   3.904% *  0.0524% (0.42   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HB    VAL   43   9.11 +/- 3.75   5.604% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HB    VAL   43   9.82 +/- 2.38   1.748% *  0.0335% (0.03   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HB    ILE   89  14.49 +/- 2.16   0.341% *  0.1536% (0.12   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1036 (1.22, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.18, residual support = 215.6:
    * O T HG12  ILE   89 - HB    ILE   89   2.75 +/- 0.19  81.886% * 98.9436% (0.80  10.0 10.00   5.18 215.66) =  99.977%  kept
        T HG12  ILE   89 - HB    VAL   43   8.04 +/- 2.08   6.701% *  0.2161% (0.17   1.0 10.00   0.02   0.02) =   0.018%
        T HG3   LYS+  99 - HB    ILE   89  19.63 +/- 2.27   0.265% *  0.4068% (0.33   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HB    VAL   43  14.13 +/- 2.75   0.808% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HB    ILE   89  17.02 +/- 3.04   0.455% *  0.0981% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HB    ILE   89  13.52 +/- 2.26   0.928% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HB    VAL   43   9.90 +/- 3.07   2.921% *  0.0097% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   89  20.21 +/- 3.59   0.380% *  0.0482% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    ILE   89  19.14 +/- 3.26   0.416% *  0.0371% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    ILE   89  18.35 +/- 4.30   0.453% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    VAL   43  13.93 +/- 2.56   1.276% *  0.0105% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    VAL   43  13.08 +/- 2.21   1.338% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   89  19.51 +/- 3.04   0.373% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   43  17.07 +/- 2.29   0.423% *  0.0214% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    VAL   43  13.97 +/- 2.17   0.802% *  0.0054% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    VAL   43  17.29 +/- 3.75   0.575% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1037 (3.87, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.41, residual support = 215.6:
    * O T HA    ILE   89 - QG2   ILE   89   2.62 +/- 0.24  92.838% * 99.5272% (1.00  10.0 10.00   6.41 215.66) =  99.995%  kept
          HB3   SER   82 - QG2   ILE   89   8.88 +/- 1.09   2.908% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR  118 - QG2   ILE   89  13.46 +/- 2.03   0.853% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   37 - QG2   ILE   89  19.19 +/- 3.46   0.635% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - QG2   ILE   89  16.79 +/- 2.52   0.548% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - QG2   ILE   89  20.72 +/- 3.69   0.373% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   ILE   89  13.01 +/- 2.23   0.918% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   ILE   89  16.13 +/- 2.58   0.927% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1038 (1.74, 0.63, 17.89 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.88, residual support = 215.6:
    * O T HB    ILE   89 - QG2   ILE   89   2.12 +/- 0.01  90.249% * 99.0138% (0.80  10.0 10.00   5.88 215.66) =  99.984%  kept
        T HB    VAL   43 - QG2   ILE   89   6.88 +/- 1.47   4.087% *  0.2753% (0.22   1.0 10.00   0.02   0.02) =   0.013%
        T HB3   LYS+  99 - QG2   ILE   89  15.57 +/- 1.48   0.254% *  0.4641% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG2   ILE   89   7.28 +/- 1.95   4.225% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+  99 - QG2   ILE   89  15.17 +/- 1.38   0.272% *  0.1908% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - QG2   ILE   89  11.04 +/- 2.28   0.911% *  0.0344% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1039 (0.63, 0.63, 17.89 ppm):
    1 diagonal assignment:
    *     QG2   ILE   89 - QG2   ILE   89  (1.00)  kept
 
    Peak 1040 (1.22, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.25, residual support = 215.6:
    * O T HG12  ILE   89 - QG2   ILE   89   3.01 +/- 0.26  88.274% * 99.3078% (1.00  10.0 10.00   6.25 215.66) =  99.991%  kept
        T HG3   LYS+  99 - QG2   ILE   89  16.81 +/- 1.53   0.582% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          HG3   LYS+ 111 - QG2   ILE   89  13.10 +/- 2.42   1.778% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  74 - QG2   ILE   89  10.34 +/- 1.87   3.041% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   71 - QG2   ILE   89  16.37 +/- 3.08   1.962% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QG2   ILE   89  14.02 +/- 3.45   2.402% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - QG2   ILE   89  15.52 +/- 2.74   1.162% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG2   ILE   89  15.94 +/- 2.51   0.799% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1041 (3.87, 1.22, 26.04 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.78, residual support = 215.6:
    * O T HA    ILE   89 - HG12  ILE   89   2.41 +/- 0.31  89.664% * 98.5945% (1.00  10.0 10.00   5.78 215.66) =  99.986%  kept
        T HB    THR   39 - HG3   LYS+  99  13.14 +/- 7.10   2.087% *  0.3859% (0.39   1.0 10.00   0.02   0.02) =   0.009%
          QB    SER   13 - HG3   LYS+  99  20.30 +/- 5.93   2.938% *  0.0378% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HG12  ILE   89  12.00 +/- 1.28   1.202% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ILE   89 - HG3   LYS+  99  20.42 +/- 1.72   0.185% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB3   SER   37 - HG3   LYS+  99  14.74 +/- 7.41   0.916% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG12  ILE   89  15.84 +/- 3.21   0.423% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HG12  ILE   89  19.96 +/- 2.82   0.215% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG12  ILE   89  22.90 +/- 3.70   0.169% *  0.0986% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG12  ILE   89  25.29 +/- 4.38   0.140% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   LYS+  99  18.24 +/- 4.50   0.336% *  0.0320% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG12  ILE   89  16.99 +/- 2.44   0.405% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG3   LYS+  99  16.11 +/- 4.64   0.854% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   LYS+  99  24.39 +/- 4.78   0.181% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG12  ILE   89  19.64 +/- 2.31   0.204% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   LYS+  99  28.91 +/- 2.80   0.082% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1042 (1.74, 1.22, 26.04 ppm):
    12 chemical-shift based assignments, quality = 0.639, support = 5.27, residual support = 205.9:
    * O T HB    ILE   89 - HG12  ILE   89   2.75 +/- 0.19  28.627% * 78.0851% (0.80  10.0 10.00   5.18 215.66) =  76.075%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.68 +/- 0.30  33.609% * 14.8429% (0.15  10.0  1.00   5.25 175.13) =  16.978%  kept
      O T HB2   LYS+  99 - HG3   LYS+  99   2.67 +/- 0.29  33.357% *  6.1021% (0.06  10.0 10.00   6.41 175.13) =   6.927%  kept
        T HB    VAL   43 - HG12  ILE   89   8.04 +/- 2.08   2.187% *  0.2171% (0.22   1.0 10.00   0.02   0.02) =   0.016%
        T HB    ILE   89 - HG3   LYS+  99  19.63 +/- 2.27   0.092% *  0.3167% (0.32   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   43 - HG3   LYS+  99  14.13 +/- 2.75   0.269% *  0.0880% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+  99 - HG12  ILE   89  16.56 +/- 1.73   0.145% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HG12  ILE   89  13.70 +/- 3.22   0.666% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   ILE   56 - HG3   LYS+  99  19.49 +/- 2.86   0.098% *  0.1100% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89  10.79 +/- 1.68   0.588% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  16.96 +/- 1.95   0.140% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  23.95 +/- 5.06   0.222% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1043 (0.63, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.997, support = 6.23, residual support = 214.9:
    * O T QG2   ILE   89 - HG12  ILE   89   3.01 +/- 0.26  58.195% * 98.9306% (1.00  10.0 10.00   6.25 215.66) =  99.628%  kept
          QD1   LEU  104 - HG3   LYS+  99   3.79 +/- 0.82  36.473% *  0.5797% (0.06   1.0  1.00   1.87  18.67) =   0.366%  kept
          QG1   VAL   83 - HG12  ILE   89   7.95 +/- 1.19   3.567% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.003%
        T QG2   ILE   89 - HG3   LYS+  99  16.81 +/- 1.53   0.369% *  0.4012% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          QD1   LEU  104 - HG12  ILE   89  13.37 +/- 1.88   0.873% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+  99  16.71 +/- 4.03   0.524% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1044 (1.22, 1.22, 26.04 ppm):
    2 diagonal assignments:
    *     HG12  ILE   89 - HG12  ILE   89  (1.00)  kept
          HG3   LYS+  99 - HG3   LYS+  99  (0.17)  kept
 
    Peak 1045 (4.46, 4.46, 56.09 ppm):
    1 diagonal assignment:
    *     HA    GLN   90 - HA    GLN   90  (0.96)  kept
 
    Peak 1046 (2.15, 4.46, 56.09 ppm):
    6 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 89.3:
    * O T HB2   GLN   90 - HA    GLN   90   2.64 +/- 0.22  96.007% * 98.5005% (0.78  10.0 10.00   3.96  89.27) =  99.977%  kept
        T HB3   GLU-  79 - HA    GLN   90  12.43 +/- 2.98   1.650% *  1.1636% (0.93   1.0 10.00   0.02   0.02) =   0.020%
          QB    GLU-  36 - HA    GLN   90  25.05 +/- 5.10   1.296% *  0.1206% (0.96   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  29 - HA    GLN   90  24.28 +/- 4.40   0.535% *  0.1164% (0.93   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HA    GLN   90  23.88 +/- 4.07   0.296% *  0.0746% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   90  27.26 +/- 4.47   0.216% *  0.0243% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (1.87, 4.46, 56.09 ppm):
    13 chemical-shift based assignments, quality = 0.819, support = 3.96, residual support = 89.3:
    * O T HB3   GLN   90 - HA    GLN   90   2.80 +/- 0.25  82.484% * 99.0333% (0.82  10.0 10.00   3.96  89.27) =  99.981%  kept
          QB    LYS+  81 - HA    GLN   90   7.53 +/- 2.28   7.869% *  0.1063% (0.88   1.0  1.00   0.02   0.02) =   0.010%
          HB2   MET   92 - HA    GLN   90   8.00 +/- 0.42   3.735% *  0.0577% (0.48   1.0  1.00   0.02   0.10) =   0.003%
          QB    LYS+  33 - HA    GLN   90  22.51 +/- 4.41   1.760% *  0.0906% (0.75   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HA    GLN   90  12.83 +/- 2.07   1.215% *  0.1094% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE   56 - HA    GLN   90  17.39 +/- 4.02   0.526% *  0.1122% (0.93   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HA    GLN   90  18.32 +/- 3.39   0.480% *  0.0719% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   90  20.23 +/- 3.27   0.407% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   90  18.36 +/- 2.29   0.398% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   90  18.13 +/- 2.05   0.365% *  0.0671% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   90  26.35 +/- 4.20   0.217% *  0.0990% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   90  20.45 +/- 4.72   0.382% *  0.0366% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   90  24.42 +/- 3.58   0.164% *  0.0624% (0.52   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1048 (2.27, 4.46, 56.09 ppm):
    9 chemical-shift based assignments, quality = 0.879, support = 3.29, residual support = 89.3:
    * O T QG    GLN   90 - HA    GLN   90   2.57 +/- 0.56  93.485% * 99.3855% (0.88  10.0 10.00   3.29  89.27) =  99.996%  kept
          HB2   ASP-  44 - HA    GLN   90  12.82 +/- 2.34   1.572% *  0.1098% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG3   MET   92 - HA    GLN   90   8.94 +/- 0.80   3.343% *  0.0171% (0.15   1.0  1.00   0.02   0.10) =   0.001%
          HB3   PHE   72 - HA    GLN   90  17.66 +/- 3.30   0.502% *  0.1048% (0.93   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - HA    GLN   90  19.54 +/- 2.58   0.376% *  0.0627% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   90  25.07 +/- 4.60   0.168% *  0.1106% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   90  25.48 +/- 4.04   0.164% *  0.1086% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLN   90  31.18 +/- 6.40   0.146% *  0.0761% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLN   90  23.17 +/- 4.04   0.244% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1049 (4.46, 2.15, 31.73 ppm):
    10 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 89.3:
    * O T HA    GLN   90 - HB2   GLN   90   2.64 +/- 0.22  92.109% * 98.8405% (0.78  10.0 10.00   3.96  89.27) =  99.984%  kept
        T HA    GLN   90 - HB3   GLU-  79  12.43 +/- 2.98   1.583% *  0.7153% (0.57   1.0 10.00   0.02   0.02) =   0.012%
          HA    ALA  110 - HB2   GLN   90  14.32 +/- 2.96   1.364% *  0.0931% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - HB3   GLU-  79  20.56 +/- 5.13   0.938% *  0.0723% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   GLU-  79  15.12 +/- 2.67   1.712% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - HB2   GLN   90  20.42 +/- 3.08   0.310% *  0.0999% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  20.48 +/- 4.10   0.401% *  0.0674% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   90  16.76 +/- 1.89   0.440% *  0.0491% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  15.31 +/- 2.85   0.882% *  0.0156% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  20.13 +/- 2.60   0.262% *  0.0113% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1050 (2.15, 2.15, 31.73 ppm):
    2 diagonal assignments:
    *     HB2   GLN   90 - HB2   GLN   90  (0.64)  kept
          HB3   GLU-  79 - HB3   GLU-  79  (0.55)  kept
 
    Peak 1051 (1.87, 2.15, 31.73 ppm):
    26 chemical-shift based assignments, quality = 0.669, support = 3.98, residual support = 89.3:
    * O T HB3   GLN   90 - HB2   GLN   90   1.75 +/- 0.00  88.159% * 96.7995% (0.67  10.0 10.00   3.98  89.27) =  99.984%  kept
          QB    LYS+  81 - HB2   GLN   90   8.57 +/- 2.61   4.238% *  0.1039% (0.72   1.0  1.00   0.02   0.02) =   0.005%
        T HB3   GLN   90 - HB3   GLU-  79  13.78 +/- 3.58   0.578% *  0.7005% (0.48   1.0 10.00   0.02   0.02) =   0.005%
          QB    LYS+  81 - HB3   GLU-  79   6.89 +/- 1.12   1.937% *  0.0752% (0.52   1.0  1.00   0.02   1.23) =   0.002%
        T HB3   LYS+  38 - HB2   GLN   90  27.15 +/- 4.53   0.043% *  0.9680% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   90   8.93 +/- 0.64   0.711% *  0.0564% (0.39   1.0  1.00   0.02   0.10) =   0.000%
          HB3   LYS+  38 - HB3   GLU-  79  23.59 +/- 5.59   0.565% *  0.0701% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   GLN   90  13.33 +/- 2.67   0.369% *  0.1070% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   GLU-  79  18.72 +/- 3.81   0.340% *  0.0793% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   GLU-  79  18.99 +/- 5.45   0.473% *  0.0509% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   GLN   90  23.56 +/- 4.57   0.267% *  0.0886% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   GLU-  79  14.38 +/- 4.28   0.571% *  0.0408% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   GLU-  79  17.50 +/- 3.98   0.341% *  0.0641% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   GLU-  79  14.50 +/- 3.32   0.234% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   90  18.65 +/- 3.87   0.101% *  0.1096% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   GLU-  79  17.17 +/- 2.68   0.122% *  0.0774% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   GLN   90  19.52 +/- 3.48   0.111% *  0.0703% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   90  19.19 +/- 2.57   0.095% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   GLU-  79  20.41 +/- 4.50   0.137% *  0.0475% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   GLN   90  18.77 +/- 2.37   0.087% *  0.0656% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   GLU-  79  20.71 +/- 3.59   0.104% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLN   90  21.53 +/- 3.43   0.073% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   90  21.83 +/- 4.62   0.100% *  0.0358% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB3   GLU-  79  19.02 +/- 4.00   0.138% *  0.0259% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB3   GLU-  79  21.54 +/- 3.23   0.065% *  0.0441% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   GLN   90  25.75 +/- 3.76   0.039% *  0.0610% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1052 (2.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.718, support = 3.61, residual support = 89.2:
    * O T QG    GLN   90 - HB2   GLN   90   2.41 +/- 0.16  87.409% * 96.7466% (0.72  10.0 10.00   3.61  89.27) =  99.975%  kept
        T QG    GLN   90 - HB3   GLU-  79  12.03 +/- 2.51   1.557% *  0.7002% (0.52   1.0 10.00   0.02   0.02) =   0.013%
        T QB    MET   11 - HB2   GLN   90  32.38 +/- 6.87   0.384% *  0.7410% (0.55   1.0 10.00   0.02   0.02) =   0.003%
          QG    GLU-  15 - HB3   GLU-  79  18.93 +/- 5.05   1.770% *  0.0779% (0.58   1.0  1.00   0.02   0.02) =   0.002%
        T QB    MET   11 - HB3   GLU-  79  24.48 +/- 5.23   0.154% *  0.5363% (0.40   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB2   GLN   90  14.34 +/- 2.40   0.752% *  0.1069% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB3   GLU-  79  12.09 +/- 2.00   0.867% *  0.0774% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLU-  29 - HB3   GLU-  79  16.95 +/- 3.78   0.369% *  0.1738% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB3   GLU-  79  14.50 +/- 2.43   0.792% *  0.0739% (0.55   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLU-  29 - HB2   GLN   90  24.34 +/- 4.40   0.228% *  0.2402% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HB3   GLU-  79  14.83 +/- 4.57   2.857% *  0.0120% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLU-  79  18.51 +/- 4.21   0.429% *  0.0765% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLN   90  19.04 +/- 3.30   0.304% *  0.1020% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLN   90   9.86 +/- 0.95   1.480% *  0.0166% (0.12   1.0  1.00   0.02   0.10) =   0.000%
          QG    GLU-  15 - HB2   GLN   90  26.24 +/- 4.99   0.150% *  0.1076% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   GLN   90  26.73 +/- 4.51   0.126% *  0.1057% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLN   90  20.68 +/- 3.04   0.162% *  0.0611% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  79  20.28 +/- 2.91   0.210% *  0.0442% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1053 (4.46, 1.87, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 3.96, residual support = 89.3:
    * O T HA    GLN   90 - HB3   GLN   90   2.80 +/- 0.25  96.174% * 99.7400% (0.82  10.0 10.00   3.96  89.27) =  99.997%  kept
          HA    ALA  110 - HB3   GLN   90  14.02 +/- 3.17   1.727% *  0.0939% (0.77   1.0  1.00   0.02   0.02) =   0.002%
          HA    PHE   55 - HB3   GLN   90  20.45 +/- 3.12   0.384% *  0.1009% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   90  16.43 +/- 1.81   0.571% *  0.0495% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLN   90  14.83 +/- 2.79   1.144% *  0.0157% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1054 (2.15, 1.87, 31.73 ppm):
    6 chemical-shift based assignments, quality = 0.669, support = 3.98, residual support = 89.3:
    * O T HB2   GLN   90 - HB3   GLN   90   1.75 +/- 0.00  98.759% * 98.2851% (0.67  10.0 10.00   3.98  89.27) =  99.991%  kept
        T HB3   GLU-  79 - HB3   GLN   90  13.78 +/- 3.58   0.648% *  1.1611% (0.79   1.0 10.00   0.02   0.02) =   0.008%
          QB    GLU-  36 - HB3   GLN   90  25.72 +/- 5.39   0.379% *  0.1203% (0.82   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  38 - HB3   GLN   90  27.82 +/- 4.83   0.066% *  0.2429% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   GLN   90  25.29 +/- 4.55   0.089% *  0.1161% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   GLN   90  24.88 +/- 4.38   0.059% *  0.0744% (0.51   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1055 (1.87, 1.87, 31.73 ppm):
    1 diagonal assignment:
    *     HB3   GLN   90 - HB3   GLN   90  (0.70)  kept
 
    Peak 1056 (2.27, 1.87, 31.73 ppm):
    9 chemical-shift based assignments, quality = 0.749, support = 3.61, residual support = 89.3:
    * O T QG    GLN   90 - HB3   GLN   90   2.34 +/- 0.16  96.806% * 99.3855% (0.75  10.0 10.00   3.61  89.27) =  99.998%  kept
          HB2   ASP-  44 - HB3   GLN   90  14.13 +/- 2.39   0.647% *  0.1098% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB3   GLN   90  18.76 +/- 3.34   0.283% *  0.1048% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLN   90  10.05 +/- 0.98   1.461% *  0.0171% (0.13   1.0  1.00   0.02   0.10) =   0.000%
          QB    MET   11 - HB3   GLN   90  32.08 +/- 6.83   0.247% *  0.0761% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLN   90  25.94 +/- 5.10   0.123% *  0.1106% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLN   90  20.43 +/- 2.96   0.185% *  0.0627% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLN   90  26.45 +/- 4.62   0.102% *  0.1086% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLN   90  24.21 +/- 4.29   0.145% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (4.46, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.879, support = 3.29, residual support = 89.3:
    * O T HA    GLN   90 - QG    GLN   90   2.57 +/- 0.56  96.045% * 99.7400% (0.88  10.0 10.00   3.29  89.27) =  99.998%  kept
          HA    ALA  110 - QG    GLN   90  13.15 +/- 2.15   1.260% *  0.0939% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - QG    GLN   90  14.56 +/- 2.02   1.062% *  0.0495% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - QG    GLN   90  18.72 +/- 2.80   0.432% *  0.1009% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG    GLN   90  13.70 +/- 2.13   1.201% *  0.0157% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1058 (2.15, 2.27, 34.07 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.61, residual support = 89.2:
    * O T HB2   GLN   90 - QG    GLN   90   2.41 +/- 0.16  93.089% * 97.8434% (0.72  10.0 10.00   3.61  89.27) =  99.970%  kept
        T HB3   GLU-  79 - QG    GLN   90  12.03 +/- 2.51   1.658% *  1.1559% (0.85   1.0 10.00   0.02   0.02) =   0.021%
          QB    GLU-  36 - QG    GLN   90  22.62 +/- 5.13   3.982% *  0.1198% (0.88   1.0  1.00   0.02   0.02) =   0.005%
        T HG3   GLU-  29 - QG    GLN   90  21.65 +/- 3.94   0.301% *  0.7411% (0.54   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLU-  29 - QG    GLN   90  22.06 +/- 4.19   0.588% *  0.1156% (0.85   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - QG    GLN   90  24.54 +/- 4.68   0.382% *  0.0242% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1059 (1.87, 2.27, 34.07 ppm):
    13 chemical-shift based assignments, quality = 0.747, support = 3.59, residual support = 88.8:
    * O T HB3   GLN   90 - QG    GLN   90   2.34 +/- 0.16  76.690% * 87.7599% (0.75  10.0 10.00   3.61  89.27) =  99.512%  kept
        T HB2   MET   92 - QG    GLN   90   8.42 +/- 1.24   2.725% * 11.4346% (0.44   1.0 10.00   0.45   0.10) =   0.461%  kept
          QB    LYS+  81 - QG    GLN   90   6.96 +/- 2.17  15.909% *  0.0942% (0.80   1.0  1.00   0.02   0.02) =   0.022%
          QB    LYS+  33 - QG    GLN   90  20.45 +/- 4.37   1.573% *  0.0803% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+ 106 - QG    GLN   90  11.72 +/- 2.07   0.986% *  0.0970% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - QG    GLN   90  16.98 +/- 3.69   0.271% *  0.0994% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    GLN   90  16.89 +/- 2.00   0.294% *  0.0680% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    GLN   90  18.00 +/- 3.02   0.276% *  0.0637% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLN   90  18.64 +/- 3.27   0.252% *  0.0680% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    GLN   90  16.25 +/- 1.91   0.278% *  0.0595% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    GLN   90  23.71 +/- 4.43   0.176% *  0.0878% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLN   90  19.67 +/- 4.46   0.445% *  0.0324% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    GLN   90  22.91 +/- 3.51   0.125% *  0.0553% (0.47   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1060 (2.27, 2.27, 34.07 ppm):
    1 diagonal assignment:
    *     QG    GLN   90 - QG    GLN   90  (0.80)  kept
 
    Peak 1061 (4.49, 4.49, 51.73 ppm):
    1 diagonal assignment:
    *     HA    ALA   91 - HA    ALA   91  (1.00)  kept
 
    Peak 1062 (1.25, 4.49, 51.73 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.26, residual support = 12.8:
    * O T QB    ALA   91 - HA    ALA   91   2.13 +/- 0.01  98.071% * 98.3255% (1.00  10.0 10.00   2.26  12.80) =  99.997%  kept
        T QG2   THR   39 - HA    ALA   91  21.07 +/- 2.67   0.126% *  0.9833% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    ALA   91  12.25 +/- 3.23   0.856% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   THR   23 - HA    ALA   91  18.85 +/- 2.71   0.174% *  0.2189% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ALA   91  16.46 +/- 2.36   0.248% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ALA   91  19.67 +/- 2.58   0.198% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ALA   91  23.88 +/- 4.02   0.131% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ALA   91  24.10 +/- 3.19   0.085% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA   91  28.60 +/- 3.28   0.051% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ALA   91  25.25 +/- 1.08   0.060% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1063 (4.49, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 2.26, residual support = 12.8:
    * O T HA    ALA   91 - QB    ALA   91   2.13 +/- 0.01  79.997% * 99.0540% (1.00  10.0 10.00   2.26  12.80) =  99.993%  kept
          HA    ALA  110 - QB    ALA   91   8.52 +/- 3.28  12.034% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL  107 - QB    ALA   91  10.38 +/- 2.16   1.057% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ALA   91 - QG2   THR   39  21.07 +/- 2.67   0.104% *  0.4678% (0.47   1.0 10.00   0.02   0.02) =   0.001%
          HA    TRP   27 - QG2   THR   39  10.84 +/- 2.13   1.074% *  0.0432% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   52 - QB    ALA   91  12.68 +/- 3.31   1.293% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   THR   23   6.56 +/- 0.90   3.425% *  0.0096% (0.10   1.0  1.00   0.02   1.33) =   0.000%
        T HA    ALA   91 - QG2   THR   23  18.85 +/- 2.71   0.141% *  0.1041% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    ALA   91  17.79 +/- 1.96   0.152% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   39  18.05 +/- 2.13   0.150% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   23  20.40 +/- 3.20   0.139% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   39  22.45 +/- 2.85   0.087% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   39  21.26 +/- 2.42   0.095% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   23  21.50 +/- 3.90   0.169% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   23  22.21 +/- 3.12   0.084% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1064 (1.25, 1.25, 21.56 ppm):
    3 diagonal assignments:
    *     QB    ALA   91 - QB    ALA   91  (1.00)  kept
          QG2   THR   39 - QG2   THR   39  (0.47)  kept
          QG2   THR   23 - QG2   THR   23  (0.02)  kept
 
    Peak 1065 (5.07, 3.58, 50.24 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 5.31, residual support = 132.4:
    * O T HA    PRO   93 - HD2   PRO   93   3.90 +/- 0.09 100.000% *100.0000% (0.73  10.0 10.00   5.31 132.40) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1066 (2.06, 3.58, 50.24 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 132.3:
    * O T HB2   PRO   93 - HD2   PRO   93   3.89 +/- 0.21  60.900% * 99.2584% (0.73  10.0 10.00   5.40 132.40) =  99.961%  kept
          HB2   ARG+  54 - HD2   PRO   93  12.28 +/- 3.90  12.289% *  0.0861% (0.63   1.0  1.00   0.02   0.02) =   0.017%
          HG3   PRO   52 - HD2   PRO   93  10.15 +/- 4.52  13.908% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.007%
          HB    VAL  108 - HD2   PRO   93  10.59 +/- 2.17   5.062% *  0.0795% (0.58   1.0  1.00   0.02   0.02) =   0.007%
          HB    ILE  119 - HD2   PRO   93  16.01 +/- 3.58   4.351% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   GLN   30 - HD2   PRO   93  22.72 +/- 3.14   0.432% *  0.2760% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HG2   PRO   58 - HD2   PRO   93  14.71 +/- 3.80   2.030% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HD2   PRO   93  22.13 +/- 3.19   0.530% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   PRO   93  26.80 +/- 0.84   0.194% *  0.0483% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   93  30.03 +/- 3.84   0.169% *  0.0373% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   93  36.29 +/- 6.31   0.135% *  0.0408% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1067 (1.81, 3.58, 50.24 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.4:
    * O T HG2   PRO   93 - HD2   PRO   93   2.63 +/- 0.30  86.692% * 99.4388% (0.73  10.0 10.00   4.00 132.40) =  99.994%  kept
          HB3   PRO   52 - HD2   PRO   93  10.32 +/- 4.37   9.212% *  0.0307% (0.22   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  65 - HD2   PRO   93  15.96 +/- 3.12   0.818% *  0.0831% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HD2   PRO   93  21.59 +/- 4.55   0.800% *  0.0796% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HD2   PRO   93  18.46 +/- 2.69   0.519% *  0.0722% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   PRO   93  17.59 +/- 2.79   0.417% *  0.0892% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   PRO   93  20.03 +/- 3.78   0.896% *  0.0307% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   93  21.23 +/- 1.08   0.181% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   93  18.13 +/- 1.21   0.290% *  0.0563% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   PRO   93  24.62 +/- 4.47   0.176% *  0.0276% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1068 (3.58, 3.58, 50.24 ppm):
    1 diagonal assignment:
    *     HD2   PRO   93 - HD2   PRO   93  (0.53)  kept
 
    Peak 1069 (3.34, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.4:
    * O T HD3   PRO   93 - HD2   PRO   93   1.75 +/- 0.00  86.839% * 98.6805% (0.65  10.0 10.00   4.00 132.40) =  99.983%  kept
          HB3   CYS   53 - HD2   PRO   93   9.28 +/- 3.63  10.986% *  0.1091% (0.72   1.0  1.00   0.02   0.02) =   0.014%
          QB    PHE   55 - HD2   PRO   93  10.44 +/- 3.66   1.055% *  0.0881% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HD2   PRO   93  13.92 +/- 3.85   0.689% *  0.1100% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   68 - HD2   PRO   93  20.89 +/- 3.42   0.077% *  0.9545% (0.63   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HD2   PRO   93  13.14 +/- 2.97   0.355% *  0.0579% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1070 (5.07, 3.34, 50.24 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.31, residual support = 132.4:
    * O T HA    PRO   93 - HD3   PRO   93   3.86 +/- 0.09  98.282% * 99.8223% (0.90  10.0 10.00   5.31 132.40) =  99.997%  kept
        T HA    PRO   93 - HD3   PRO   68  17.71 +/- 3.06   1.718% *  0.1777% (0.16   1.0 10.00   0.02   0.02) =   0.003%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1071 (2.06, 3.34, 50.24 ppm):
    22 chemical-shift based assignments, quality = 0.896, support = 5.39, residual support = 132.2:
    * O T HB2   PRO   93 - HD3   PRO   93   3.91 +/- 0.24  59.343% * 97.2654% (0.90  10.0 10.00   5.40 132.40) =  99.863%  kept
        T HB2   ARG+  54 - HD3   PRO   93  12.06 +/- 3.85   7.403% *  0.8437% (0.78   1.0 10.00   0.02   0.02) =   0.108%  kept
          HG3   PRO   52 - HD3   PRO   93  10.11 +/- 4.53  12.379% *  0.0300% (0.28   1.0  1.00   0.02   0.02) =   0.006%
          HB    VAL  108 - HD3   PRO   93  10.95 +/- 2.18   4.722% *  0.0779% (0.72   1.0  1.00   0.02   0.02) =   0.006%
        T HB2   ARG+  54 - HD3   PRO   68  18.75 +/- 4.53   1.379% *  0.1502% (0.14   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   PRO   93 - HD3   PRO   68  18.19 +/- 3.09   0.844% *  0.1731% (0.16   1.0 10.00   0.02   0.02) =   0.003%
          HB    ILE  119 - HD3   PRO   93  16.02 +/- 3.54   2.192% *  0.0551% (0.51   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   GLN   30 - HD3   PRO   93  22.75 +/- 3.08   0.370% *  0.2704% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          HG2   PRO   58 - HD3   PRO   93  14.45 +/- 3.92   2.144% *  0.0300% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLU-  14 - HD3   PRO   68  18.99 +/- 4.63   0.915% *  0.0650% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   GLU-  14 - HD3   PRO   93  30.04 +/- 3.81   0.159% *  0.3650% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HD3   PRO   93  36.27 +/- 6.37   0.112% *  0.3999% (0.37   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HD3   PRO   68  16.89 +/- 2.18   0.898% *  0.0481% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HD3   PRO   93  22.19 +/- 3.04   0.425% *  0.0551% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   68  25.29 +/- 4.38   0.283% *  0.0712% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   68  15.20 +/- 3.83   1.790% *  0.0098% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   68  16.41 +/- 2.07   1.082% *  0.0098% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   PRO   68  21.73 +/- 4.55   0.734% *  0.0139% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   93  26.94 +/- 0.99   0.188% *  0.0473% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   68  15.83 +/- 2.26   1.275% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   68  21.51 +/- 5.37   0.544% *  0.0084% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HD3   PRO   68  21.79 +/- 4.17   0.820% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.35 A, kept.
 
    Peak 1072 (1.81, 3.34, 50.24 ppm):
    20 chemical-shift based assignments, quality = 0.892, support = 3.99, residual support = 131.6:
    * O T HG2   PRO   93 - HD3   PRO   93   2.57 +/- 0.30  58.767% * 97.7250% (0.90  10.0 10.00   4.00 132.40) =  99.429%  kept
          QB    LYS+  66 - HD3   PRO   68   4.67 +/- 1.55  27.170% *  1.1472% (0.14   1.0  1.00   1.47   0.02) =   0.540%  kept
        T HB3   PRO   52 - HD3   PRO   93  10.24 +/- 4.37   5.136% *  0.3016% (0.28   1.0 10.00   0.02   0.02) =   0.027%
          QB    LYS+  65 - HD3   PRO   68   7.47 +/- 1.05   3.045% *  0.0145% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HD3   PRO   93  15.79 +/- 3.23   0.488% *  0.0816% (0.75   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   PRO   93 - HD3   PRO   68  20.08 +/- 3.19   0.168% *  0.1739% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HD3   PRO   93  17.43 +/- 2.87   0.258% *  0.0876% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   93  21.60 +/- 4.26   0.235% *  0.0783% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   68  10.33 +/- 1.17   1.094% *  0.0139% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   93  18.63 +/- 2.25   0.192% *  0.0710% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HD3   PRO   68  21.23 +/- 4.10   0.216% *  0.0537% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   93  21.42 +/- 1.13   0.106% *  0.0902% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   93  18.34 +/- 1.16   0.171% *  0.0553% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   68  13.38 +/- 2.62   0.631% *  0.0126% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   93  20.06 +/- 3.75   0.264% *  0.0302% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   68  20.16 +/- 4.96   0.273% *  0.0161% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   68  15.82 +/- 5.03   0.790% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   68  13.83 +/- 4.33   0.613% *  0.0048% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   68  19.37 +/- 4.71   0.282% *  0.0098% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   93  24.60 +/- 4.59   0.100% *  0.0272% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1073 (3.58, 3.34, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.4:
    * O T HD2   PRO   93 - HD3   PRO   93   1.75 +/- 0.00  98.933% * 99.5607% (0.65  10.0 10.00   4.00 132.40) =  99.999%  kept
          HA    THR   77 - HD3   PRO   93  12.06 +/- 4.98   0.663% *  0.1230% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   93 - HD3   PRO   68  20.89 +/- 3.42   0.088% *  0.1772% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   93  19.79 +/- 2.39   0.080% *  0.0996% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HD3   PRO   68  18.25 +/- 2.75   0.116% *  0.0219% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   68  18.40 +/- 2.53   0.120% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1074 (3.34, 3.34, 50.24 ppm):
    2 diagonal assignments:
    *     HD3   PRO   93 - HD3   PRO   93  (0.80)  kept
          HD3   PRO   68 - HD3   PRO   68  (0.14)  kept
 
    Peak 1075 (5.07, 5.07, 63.17 ppm):
    1 diagonal assignment:
    *     HA    PRO   93 - HA    PRO   93  (1.00)  kept
 
    Peak 1076 (2.06, 5.07, 63.17 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 132.4:
    * O T HB2   PRO   93 - HA    PRO   93   2.54 +/- 0.21  89.287% * 99.2584% (1.00  10.0 10.00   5.98 132.40) =  99.993%  kept
          HB    VAL  108 - HA    PRO   93  10.15 +/- 1.80   2.450% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HA    PRO   93  11.89 +/- 2.62   1.520% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    PRO   93  14.06 +/- 3.18   2.047% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   52 - HA    PRO   93  10.87 +/- 3.56   2.473% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HA    PRO   93  19.57 +/- 2.83   0.252% *  0.2760% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HA    PRO   93  12.64 +/- 3.27   1.411% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    PRO   93  18.98 +/- 2.71   0.291% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    PRO   93  23.98 +/- 0.73   0.112% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   93  26.81 +/- 3.64   0.096% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   93  33.34 +/- 5.93   0.061% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1077 (1.81, 5.07, 63.17 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 132.4:
    * O T HG2   PRO   93 - HA    PRO   93   3.96 +/- 0.03  77.901% * 99.4388% (1.00  10.0 10.00   5.31 132.40) =  99.983%  kept
          QB    LYS+  65 - HA    PRO   93  13.21 +/- 2.99   5.718% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.006%
          HB3   PRO   52 - HA    PRO   93  10.88 +/- 3.08   6.881% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - HA    PRO   93  14.84 +/- 2.59   2.019% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   41 - HA    PRO   93  15.42 +/- 1.87   1.693% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - HA    PRO   93  18.37 +/- 3.47   1.524% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE  103 - HA    PRO   93  15.72 +/- 0.92   1.284% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HA    PRO   93  19.16 +/- 1.00   0.713% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    PRO   93  18.16 +/- 2.97   1.426% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HA    PRO   93  21.33 +/- 4.39   0.841% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1078 (3.58, 5.07, 63.17 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.31, residual support = 132.4:
    * O T HD2   PRO   93 - HA    PRO   93   3.90 +/- 0.09  88.953% * 99.7770% (0.73  10.0 10.00   5.31 132.40) =  99.985%  kept
          HA    THR   77 - HA    PRO   93  10.24 +/- 4.19   9.831% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.014%
          HB2   TRP   27 - HA    PRO   93  16.98 +/- 1.99   1.217% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1079 (3.34, 5.07, 63.17 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 5.31, residual support = 132.3:
    * O T HD3   PRO   93 - HA    PRO   93   3.86 +/- 0.09  68.504% * 98.6805% (0.90  10.0 10.00   5.31 132.40) =  99.940%  kept
          HB3   CYS   53 - HA    PRO   93   8.17 +/- 2.83  16.788% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.027%
        T HD3   PRO   68 - HA    PRO   93  17.71 +/- 3.06   1.217% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.017%
          QB    PHE   55 - HA    PRO   93  10.16 +/- 2.41   5.774% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.008%
          HB2   PHE   59 - HA    PRO   93  10.67 +/- 2.43   5.309% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.005%
          HD2   ARG+  54 - HA    PRO   93  13.57 +/- 2.59   2.407% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.004%
    Distance limit 3.92 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1081 (2.06, 2.06, 34.10 ppm):
    2 diagonal assignments:
    *     HB2   PRO   93 - HB2   PRO   93  (1.00)  kept
          HG3   GLN   30 - HG3   GLN   30  (0.02)  kept
 
    Peak 1082 (1.81, 2.06, 34.10 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 132.4:
    * O T HG2   PRO   93 - HB2   PRO   93   2.62 +/- 0.31  75.279% * 99.0260% (1.00  10.0 10.00   5.40 132.40) =  99.976%  kept
        T HB3   PRO   52 - HB2   PRO   93  10.38 +/- 3.64   4.594% *  0.3056% (0.31   1.0 10.00   0.02   0.02) =   0.019%
          QB    LYS+  65 - HB2   PRO   93  13.68 +/- 2.81   1.119% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB2   PRO   93  15.13 +/- 2.71   0.571% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HB2   PRO   93  19.39 +/- 3.87   0.635% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   GLN   17 - HG3   GLN   30  11.51 +/- 2.46   2.077% *  0.0215% (0.02   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HG3   GLN   30   9.78 +/- 3.25   7.616% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HB2   PRO   93  16.60 +/- 2.29   0.502% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   GLN   30   9.97 +/- 3.50   3.748% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   93  16.53 +/- 1.32   0.335% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   93  19.73 +/- 1.16   0.194% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG3   GLN   30  22.89 +/- 3.21   0.168% *  0.0772% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   93  17.52 +/- 3.25   0.352% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB2   PRO   93  22.60 +/- 4.68   0.256% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   GLN   30  15.59 +/- 2.74   0.827% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   GLN   30  14.48 +/- 1.91   0.588% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   GLN   30  17.66 +/- 3.43   0.402% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   GLN   30  16.65 +/- 3.24   0.500% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   GLN   30  24.46 +/- 4.02   0.130% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   GLN   30  26.36 +/- 3.53   0.107% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1083 (3.58, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 132.4:
    * O T HD2   PRO   93 - HB2   PRO   93   3.89 +/- 0.21  72.236% * 99.6822% (0.73  10.0 10.00   5.40 132.40) =  99.989%  kept
          HA    THR   77 - HB2   PRO   93  11.92 +/- 4.07   4.135% *  0.1231% (0.90   1.0  1.00   0.02   0.02) =   0.007%
          HB2   TRP   27 - HG3   GLN   30   6.08 +/- 0.59  20.548% *  0.0078% (0.06   1.0  1.00   0.02   0.02) =   0.002%
          HB2   TRP   27 - HB2   PRO   93  18.37 +/- 2.51   0.965% *  0.0997% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   93 - HG3   GLN   30  22.72 +/- 3.14   0.507% *  0.0777% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR   77 - HG3   GLN   30  15.61 +/- 2.80   1.610% *  0.0096% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1084 (3.34, 2.06, 34.10 ppm):
    12 chemical-shift based assignments, quality = 0.896, support = 5.39, residual support = 132.3:
    * O T HD3   PRO   93 - HB2   PRO   93   3.91 +/- 0.24  60.430% * 97.4649% (0.90  10.0 10.00   5.40 132.40) =  99.891%  kept
        T HD2   ARG+  54 - HB2   PRO   93  13.14 +/- 2.95   2.253% *  1.0868% (1.00   1.0 10.00   0.02   0.02) =   0.042%
          HB3   CYS   53 - HB2   PRO   93   8.25 +/- 3.45  17.662% *  0.1077% (0.99   1.0  1.00   0.02   0.02) =   0.032%
        T HD3   PRO   68 - HB2   PRO   93  18.19 +/- 3.09   0.855% *  0.9427% (0.87   1.0 10.00   0.02   0.02) =   0.014%
          QB    PHE   55 - HB2   PRO   93   9.49 +/- 3.10   8.645% *  0.0870% (0.80   1.0  1.00   0.02   0.02) =   0.013%
          HB2   PHE   59 - HB2   PRO   93  10.30 +/- 2.92   6.756% *  0.0572% (0.53   1.0  1.00   0.02   0.02) =   0.007%
        T HD3   PRO   68 - HG3   GLN   30  16.89 +/- 2.18   0.921% *  0.0735% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   ARG+  54 - HG3   GLN   30  25.88 +/- 4.83   0.431% *  0.0847% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   PRO   93 - HG3   GLN   30  22.75 +/- 3.08   0.379% *  0.0759% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   GLN   30  21.91 +/- 3.76   0.552% *  0.0084% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   GLN   30  22.61 +/- 3.42   0.572% *  0.0068% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   GLN   30  20.12 +/- 2.82   0.543% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1085 (5.07, 1.81, 24.81 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.31, residual support = 132.4:
    * O T HA    PRO   93 - HG2   PRO   93   3.96 +/- 0.03 100.000% *100.0000% (1.00  10.0 10.00   5.31 132.40) = 100.000%  kept
    Distance limit 5.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1086 (2.06, 1.81, 24.81 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 132.3:
    * O T HB2   PRO   93 - HG2   PRO   93   2.62 +/- 0.31  79.360% * 98.7141% (1.00  10.0 10.00   5.40 132.40) =  99.954%  kept
        T HG3   PRO   52 - HG2   PRO   93  10.22 +/- 4.29   6.771% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.026%
          HB2   ARG+  54 - HG2   PRO   93  11.80 +/- 3.83   7.542% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.008%
        T HG2   PRO   58 - HG2   PRO   93  13.38 +/- 4.14   1.815% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.007%
          HB    VAL  108 - HG2   PRO   93   9.82 +/- 2.13   2.815% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB    ILE  119 - HG2   PRO   93  14.43 +/- 3.70   1.100% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HG2   PRO   93  22.89 +/- 3.21   0.175% *  0.2745% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HG2   PRO   93  22.22 +/- 3.20   0.209% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   PRO   93  26.30 +/- 1.28   0.088% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   93  30.17 +/- 3.76   0.069% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   93  36.52 +/- 6.15   0.057% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1087 (1.81, 1.81, 24.81 ppm):
    1 diagonal assignment:
    *     HG2   PRO   93 - HG2   PRO   93  (1.00)  kept
 
    Peak 1088 (3.58, 1.81, 24.81 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.4:
    * O T HD2   PRO   93 - HG2   PRO   93   2.63 +/- 0.30  98.159% * 99.7770% (0.73  10.0 10.00   4.00 132.40) =  99.998%  kept
          HA    THR   77 - HG2   PRO   93  13.15 +/- 4.56   1.485% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB2   TRP   27 - HG2   PRO   93  20.08 +/- 2.60   0.355% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1089 (3.34, 1.81, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 4.0, residual support = 132.3:
    * O T HD3   PRO   93 - HG2   PRO   93   2.57 +/- 0.30  73.091% * 98.6805% (0.90  10.0 10.00   4.00 132.40) =  99.960%  kept
          HB3   CYS   53 - HG2   PRO   93   9.04 +/- 3.66  17.851% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.027%
          QB    PHE   55 - HG2   PRO   93   9.47 +/- 3.91   4.919% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.006%
        T HD3   PRO   68 - HG2   PRO   93  20.08 +/- 3.19   0.209% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.003%
          HD2   ARG+  54 - HG2   PRO   93  13.40 +/- 3.64   1.727% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB2   PHE   59 - HG2   PRO   93  11.76 +/- 3.39   2.203% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1090 (4.95, 4.95, 63.38 ppm):
    1 diagonal assignment:
    *     HA    THR   94 - HA    THR   94  (1.00)  kept
 
    Peak 1091 (3.95, 4.95, 63.38 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 24.5:
    * O T HB    THR   94 - HA    THR   94   3.04 +/- 0.03  89.058% * 99.2375% (0.84  10.0 10.00   2.43  24.54) =  99.991%  kept
          QB    SER   48 - HA    THR   94  12.90 +/- 1.64   1.355% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER  117 - HA    THR   94  11.38 +/- 1.82   2.429% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HA    THR   94  13.27 +/- 1.21   1.170% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HA    THR   94  15.26 +/- 2.46   1.195% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HA    THR   94  16.89 +/- 2.56   0.882% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HA    THR   94  17.25 +/- 2.39   0.578% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HA    THR   94  12.82 +/- 3.13   2.460% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HA    THR   94  17.56 +/- 2.68   0.539% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HA    THR   94  23.57 +/- 4.47   0.335% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1092 (1.19, 4.95, 63.38 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.88, residual support = 24.5:
    * O T QG2   THR   94 - HA    THR   94   2.39 +/- 0.21  92.335% * 99.7175% (1.00  10.0 10.00   2.88  24.54) =  99.993%  kept
          HD2   LYS+ 112 - HA    THR   94  11.83 +/- 3.76   3.855% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LYS+ 112 - HA    THR   94  11.45 +/- 3.13   2.598% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HG13  ILE  103 - HA    THR   94  11.71 +/- 1.10   0.892% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    THR   94  18.53 +/- 2.64   0.320% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1093 (4.95, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 24.5:
    * O T HA    THR   94 - HB    THR   94   3.04 +/- 0.03  97.770% * 99.9751% (0.84  10.0 10.00   2.43  24.54) =  99.999%  kept
          HA    LYS+  74 - HB    THR   94  11.60 +/- 2.31   2.230% *  0.0249% (0.21   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1094 (3.95, 3.95, 72.97 ppm):
    1 diagonal assignment:
    *     HB    THR   94 - HB    THR   94  (0.70)  kept
 
    Peak 1095 (1.19, 3.95, 72.97 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 2.42, residual support = 24.5:
    * O T QG2   THR   94 - HB    THR   94   2.16 +/- 0.01  96.819% * 99.7175% (0.84  10.0 10.00   2.42  24.54) =  99.998%  kept
          HD2   LYS+ 112 - HB    THR   94  13.70 +/- 4.04   1.404% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HB    THR   94  13.52 +/- 3.19   0.862% *  0.0995% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HB    THR   94  11.54 +/- 1.07   0.695% *  0.0308% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    THR   94  17.73 +/- 2.45   0.220% *  0.0724% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1096 (4.95, 1.19, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.88, residual support = 24.5:
    * O T HA    THR   94 - QG2   THR   94   2.39 +/- 0.21  98.577% * 99.9751% (1.00  10.0 10.00   2.88  24.54) = 100.000%  kept
          HA    LYS+  74 - QG2   THR   94  10.72 +/- 1.84   1.423% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1097 (3.95, 1.19, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.42, residual support = 24.5:
    * O T HB    THR   94 - QG2   THR   94   2.16 +/- 0.01  93.133% * 99.2375% (0.84  10.0 10.00   2.42  24.54) =  99.994%  kept
          QB    SER   48 - QG2   THR   94  10.82 +/- 1.96   1.243% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - QG2   THR   94   9.65 +/- 1.55   1.261% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - QG2   THR   94  13.98 +/- 2.44   0.604% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QG2   THR   94  10.74 +/- 1.46   0.993% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QG2   THR   94  19.33 +/- 4.03   0.454% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QG2   THR   94  14.79 +/- 2.25   0.480% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QG2   THR   94  15.77 +/- 1.69   0.268% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   THR   94  11.98 +/- 3.04   1.277% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QG2   THR   94  15.66 +/- 2.26   0.287% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1098 (1.19, 1.19, 21.81 ppm):
    1 diagonal assignment:
    *     QG2   THR   94 - QG2   THR   94  (1.00)  kept
 
    Peak 1099 (5.96, 5.96, 55.53 ppm):
    1 diagonal assignment:
    *     HA    PHE   95 - HA    PHE   95  (1.00)  kept
 
    Peak 1100 (3.20, 5.96, 55.53 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 73.4:
    * O T HB2   PHE   95 - HA    PHE   95   3.00 +/- 0.09 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.44) = 100.000%  kept
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1101 (2.54, 5.96, 55.53 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 73.4:
    * O T HB3   PHE   95 - HA    PHE   95   2.56 +/- 0.22  98.697% * 99.8670% (1.00  10.0 10.00   4.00  73.44) =  99.999%  kept
          HG2   GLN  116 - HA    PHE   95  13.30 +/- 3.17   1.029% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  25 - HA    PHE   95  20.65 +/- 2.44   0.274% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1102 (5.96, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 73.4:
    * O T HA    PHE   95 - HB2   PHE   95   3.00 +/- 0.09 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.44) = 100.000%  kept
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1103 (3.20, 3.20, 40.96 ppm):
    1 diagonal assignment:
    *     HB2   PHE   95 - HB2   PHE   95  (1.00)  kept
 
    Peak 1104 (2.54, 3.20, 40.96 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 73.4:
    * O T HB3   PHE   95 - HB2   PHE   95   1.75 +/- 0.00  99.500% * 99.8670% (1.00  10.0 10.00   3.31  73.44) = 100.000%  kept
          HG2   GLN  116 - HB2   PHE   95  11.70 +/- 3.12   0.441% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   PHE   95  22.71 +/- 2.93   0.060% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1105 (5.96, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.0, residual support = 73.4:
    * O T HA    PHE   95 - HB3   PHE   95   2.56 +/- 0.22 100.000% *100.0000% (1.00  10.0 10.00   4.00  73.44) = 100.000%  kept
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1106 (3.20, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.31, residual support = 73.4:
    * O T HB2   PHE   95 - HB3   PHE   95   1.75 +/- 0.00 100.000% *100.0000% (1.00  10.0 10.00   3.31  73.44) = 100.000%  kept
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1107 (2.54, 2.54, 40.96 ppm):
    1 diagonal assignment:
    *     HB3   PHE   95 - HB3   PHE   95  (1.00)  kept
 
    Peak 1108 (5.31, 5.31, 54.03 ppm):
    1 diagonal assignment:
    *     HA    MET   96 - HA    MET   96  (0.96)  kept
 
    Peak 1109 (2.21, 5.31, 54.03 ppm):
    7 chemical-shift based assignments, quality = 0.977, support = 4.98, residual support = 114.8:
    * O T HB2   MET   96 - HA    MET   96   2.94 +/- 0.18  84.055% * 95.8213% (0.98  10.0 10.00   5.00 115.40) =  99.506%  kept
          HB2   ASP- 105 - HA    MET   96   6.22 +/- 0.81  10.276% *  3.8538% (0.40   1.0  1.00   1.96   0.02) =   0.489%  kept
          QG    GLN   17 - HA    MET   96  17.30 +/- 3.66   2.139% *  0.0658% (0.67   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   70 - HA    MET   96  13.82 +/- 3.21   1.306% *  0.0732% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    MET   96  15.35 +/- 3.06   0.919% *  0.0620% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    MET   96  14.87 +/- 0.74   0.678% *  0.0696% (0.71   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HA    MET   96  20.66 +/- 3.38   0.627% *  0.0542% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1110 (1.93, 5.31, 54.03 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.4:
    * O T HB3   MET   96 - HA    MET   96   2.68 +/- 0.25  98.342% * 99.7402% (0.98  10.0 10.00   5.00 115.40) =  99.999%  kept
          HB2   LEU   40 - HA    MET   96  14.05 +/- 3.55   1.010% *  0.0799% (0.78   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HA    MET   96  24.25 +/- 3.35   0.195% *  0.0865% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    MET   96  19.16 +/- 3.03   0.373% *  0.0249% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   96  31.37 +/- 4.70   0.080% *  0.0685% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1111 (2.61, 5.31, 54.03 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.4:
    * O T HG2   MET   96 - HA    MET   96   2.68 +/- 0.34  99.501% * 99.6261% (0.98  10.0 10.00   4.44 115.40) =  99.998%  kept
        T HB2   PRO   52 - HA    MET   96  18.10 +/- 3.37   0.499% *  0.3739% (0.37   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1112 (2.47, 5.31, 54.03 ppm):
    5 chemical-shift based assignments, quality = 0.594, support = 4.44, residual support = 115.4:
    * O T HG3   MET   96 - HA    MET   96   3.04 +/- 0.54  91.408% * 99.7437% (0.59  10.0 10.00   4.44 115.40) =  99.996%  kept
          HB3   TRP   87 - HA    MET   96   9.05 +/- 1.90   5.410% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  62 - HA    MET   96  14.93 +/- 2.49   1.916% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HA    MET   96  22.51 +/- 3.26   0.347% *  0.1374% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN  116 - HA    MET   96  15.78 +/- 2.60   0.919% *  0.0457% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1113 (5.31, 2.21, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.4:
    * O T HA    MET   96 - HB2   MET   96   2.94 +/- 0.18  97.765% * 99.9773% (0.98  10.0 10.00   5.00 115.40) =  99.999%  kept
          HA    PHE   72 - HB2   MET   96  11.84 +/- 1.95   2.235% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1114 (2.21, 2.21, 36.87 ppm):
    1 diagonal assignment:
    *     HB2   MET   96 - HB2   MET   96  (1.00)  kept
 
    Peak 1115 (1.93, 2.21, 36.87 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 115.4:
    * O T HB3   MET   96 - HB2   MET   96   1.75 +/- 0.00  99.513% * 99.7402% (1.00  10.0 10.00   5.00 115.40) = 100.000%  kept
          HB2   LEU   40 - HB2   MET   96  13.75 +/- 3.22   0.269% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   MET   96  22.89 +/- 3.43   0.089% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB2   MET   96  19.17 +/- 2.98   0.098% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   MET   96  30.00 +/- 5.02   0.030% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1116 (2.61, 2.21, 36.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.4:
    * O T HG2   MET   96 - HB2   MET   96   2.87 +/- 0.14  99.465% * 99.6261% (1.00  10.0 10.00   4.44 115.40) =  99.998%  kept
        T HB2   PRO   52 - HB2   MET   96  18.24 +/- 3.25   0.535% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1117 (2.47, 2.21, 36.87 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.4:
    * O T HG3   MET   96 - HB2   MET   96   2.69 +/- 0.30  89.287% * 99.7437% (0.61  10.0 10.00   4.44 115.40) =  99.995%  kept
          HB3   TRP   87 - HB2   MET   96   7.11 +/- 2.39   9.069% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.004%
          HG2   GLU-  36 - HB2   MET   96  21.40 +/- 3.43   0.251% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   MET   96  15.28 +/- 2.15   0.838% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   MET   96  17.23 +/- 2.39   0.555% *  0.0457% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1118 (5.31, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.4:
    * O T HA    MET   96 - HB3   MET   96   2.68 +/- 0.25  98.188% * 99.9773% (0.98  10.0 10.00   5.00 115.40) = 100.000%  kept
          HA    PHE   72 - HB3   MET   96  12.44 +/- 2.33   1.812% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1119 (2.21, 1.93, 36.87 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 115.4:
    * O T HB2   MET   96 - HB3   MET   96   1.75 +/- 0.00  97.753% * 99.6213% (1.00  10.0 10.00   5.00 115.40) =  99.999%  kept
          HB2   ASP- 105 - HB3   MET   96   8.63 +/- 0.81   0.891% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   MET   96  16.88 +/- 3.72   0.485% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   MET   96  14.06 +/- 3.25   0.299% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   96  14.29 +/- 2.88   0.258% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   96  15.08 +/- 0.87   0.159% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   MET   96  19.39 +/- 3.42   0.155% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1120 (1.93, 1.93, 36.87 ppm):
    1 diagonal assignment:
    *     HB3   MET   96 - HB3   MET   96  (1.00)  kept
 
    Peak 1121 (2.61, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.4:
    * O T HG2   MET   96 - HB3   MET   96   2.76 +/- 0.25  99.490% * 99.6261% (1.00  10.0 10.00   4.44 115.40) =  99.998%  kept
        T HB2   PRO   52 - HB3   MET   96  18.36 +/- 3.30   0.510% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1122 (2.47, 1.93, 36.87 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.4:
    * O T HG3   MET   96 - HB3   MET   96   2.67 +/- 0.31  90.368% * 99.7437% (0.61  10.0 10.00   4.44 115.40) =  99.996%  kept
          HB3   TRP   87 - HB3   MET   96   7.22 +/- 2.22   8.285% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.003%
          HG2   GLU-  36 - HB3   MET   96  21.94 +/- 3.54   0.280% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   MET   96  17.34 +/- 2.64   0.483% *  0.0457% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   MET   96  15.70 +/- 2.53   0.583% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1123 (5.31, 2.61, 32.67 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.4:
    * O T HA    MET   96 - HG2   MET   96   2.68 +/- 0.34  97.637% * 99.6779% (0.98  10.0 10.00   4.44 115.40) =  99.998%  kept
        T HA    MET   96 - HB2   PRO   52  18.10 +/- 3.37   0.489% *  0.2928% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HA    PHE   72 - HG2   MET   96  13.28 +/- 2.33   1.562% *  0.0226% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   72 - HB2   PRO   52  20.90 +/- 3.73   0.312% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1124 (2.21, 2.61, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.999, support = 4.44, residual support = 115.2:
    * O T HB2   MET   96 - HG2   MET   96   2.87 +/- 0.14  84.296% * 96.8916% (1.00  10.0 10.00   4.44 115.40) =  99.843%  kept
          HB2   ASP- 105 - HG2   MET   96   7.67 +/- 0.87   5.084% *  2.3870% (0.41   1.0  1.00   1.20   0.02) =   0.148%  kept
          QG    GLN   17 - HG2   MET   96  17.32 +/- 3.84   4.263% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   MET   96 - HB2   PRO   52  18.24 +/- 3.25   0.454% *  0.2846% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   70 - HG2   MET   96  14.67 +/- 3.54   1.017% *  0.0740% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HG2   MET   96  13.61 +/- 1.08   0.853% *  0.0704% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HG2   MET   96  15.78 +/- 3.21   0.867% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HG2   MET   96  19.95 +/- 4.00   0.923% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB2   PRO   52  17.65 +/- 5.24   1.117% *  0.0184% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   PRO   52  20.26 +/- 3.06   0.358% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   PRO   52  23.08 +/- 4.26   0.226% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   PRO   52  19.91 +/- 3.36   0.315% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   PRO   52  28.22 +/- 4.88   0.152% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   PRO   52  30.63 +/- 2.48   0.075% *  0.0207% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1125 (1.93, 2.61, 32.67 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.4:
    * O T HB3   MET   96 - HG2   MET   96   2.76 +/- 0.25  92.156% * 99.3732% (1.00  10.0 10.00   4.44 115.40) =  99.997%  kept
        T HB3   MET   96 - HB2   PRO   52  18.36 +/- 3.30   0.472% *  0.2919% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   40 - HG2   MET   96  14.17 +/- 4.19   1.080% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HB2   PRO   52   7.57 +/- 0.80   5.247% *  0.0073% (0.07   1.0  1.00   0.02   1.91) =   0.000%
          HB3   GLU-  14 - HG2   MET   96  23.87 +/- 3.64   0.326% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG2   MET   96  21.02 +/- 3.28   0.305% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   MET   96  30.76 +/- 4.96   0.097% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   PRO   52  23.70 +/- 3.06   0.195% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   PRO   52  31.64 +/- 5.10   0.077% *  0.0253% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   52  39.29 +/- 5.52   0.044% *  0.0201% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1126 (2.61, 2.61, 32.67 ppm):
    2 diagonal assignments:
    *     HG2   MET   96 - HG2   MET   96  (1.00)  kept
          HB2   PRO   52 - HB2   PRO   52  (0.11)  kept
 
    Peak 1127 (2.47, 2.61, 32.67 ppm):
    10 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 115.4:
    * O T HG3   MET   96 - HG2   MET   96   1.75 +/- 0.00  96.050% * 99.2819% (0.61  10.0 10.00   4.00 115.40) =  99.998%  kept
          HB3   TRP   87 - HG2   MET   96   8.37 +/- 2.82   2.777% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   MET   96 - HB2   PRO   52  19.59 +/- 3.63   0.101% *  0.2916% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HB2   PRO   52  14.57 +/- 2.48   0.230% *  0.1071% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   MET   96  21.74 +/- 3.88   0.066% *  0.1367% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG2   MET   96  16.74 +/- 2.31   0.156% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   PRO   52  13.23 +/- 2.94   0.398% *  0.0134% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG2   MET   96  17.93 +/- 2.25   0.106% *  0.0455% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HB2   PRO   52  19.39 +/- 3.32   0.097% *  0.0107% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   PRO   52  33.24 +/- 3.93   0.020% *  0.0402% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1128 (5.31, 2.47, 32.67 ppm):
    2 chemical-shift based assignments, quality = 0.595, support = 4.44, residual support = 115.4:
    * O T HA    MET   96 - HG3   MET   96   3.04 +/- 0.54  97.533% * 99.9773% (0.59  10.0 10.00   4.44 115.40) =  99.999%  kept
          HA    PHE   72 - HG3   MET   96  13.33 +/- 2.22   2.467% *  0.0227% (0.14   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1129 (2.21, 2.47, 32.67 ppm):
    7 chemical-shift based assignments, quality = 0.606, support = 4.44, residual support = 115.2:
    * O T HB2   MET   96 - HG3   MET   96   2.69 +/- 0.30  90.145% * 96.9265% (0.61  10.0 10.00   4.44 115.40) =  99.869%  kept
          HB2   ASP- 105 - HG3   MET   96   8.45 +/- 1.15   4.020% *  2.7449% (0.25   1.0  1.00   1.38   0.02) =   0.126%  kept
          QG    GLN   17 - HG3   MET   96  17.44 +/- 3.54   2.727% *  0.0666% (0.42   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   70 - HG3   MET   96  14.83 +/- 3.36   0.863% *  0.0741% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HG3   MET   96  14.41 +/- 1.37   0.688% *  0.0704% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HG3   MET   96  19.88 +/- 4.15   0.835% *  0.0549% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HG3   MET   96  15.38 +/- 3.13   0.723% *  0.0627% (0.39   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1130 (1.93, 2.47, 32.67 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.4:
    * O T HB3   MET   96 - HG3   MET   96   2.67 +/- 0.31  98.273% * 99.7402% (0.61  10.0 10.00   4.44 115.40) =  99.999%  kept
          HB2   LEU   40 - HG3   MET   96  14.48 +/- 3.95   1.049% *  0.0799% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HG3   MET   96  23.96 +/- 3.61   0.248% *  0.0865% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG3   MET   96  20.75 +/- 3.37   0.331% *  0.0249% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG3   MET   96  30.97 +/- 5.03   0.098% *  0.0685% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1131 (2.61, 2.47, 32.67 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 115.4:
    * O T HG2   MET   96 - HG3   MET   96   1.75 +/- 0.00  99.895% * 99.6261% (0.61  10.0 10.00   4.00 115.40) = 100.000%  kept
        T HB2   PRO   52 - HG3   MET   96  19.59 +/- 3.63   0.105% *  0.3739% (0.23   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1132 (2.47, 2.47, 32.67 ppm):
    1 diagonal assignment:
    *     HG3   MET   96 - HG3   MET   96  (0.37)  kept
 
    Peak 1133 (5.36, 5.36, 56.63 ppm):
    1 diagonal assignment:
    *     HA    PHE   97 - HA    PHE   97  (1.00)  kept
 
    Peak 1134 (2.99, 5.36, 56.63 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.89, residual support = 62.2:
    * O T HB2   PHE   97 - HA    PHE   97   2.90 +/- 0.21  81.534% * 99.7149% (1.00  10.0 10.00   2.89  62.20) =  99.986%  kept
          QE    LYS+ 106 - HA    PHE   97   7.18 +/- 1.20   9.172% *  0.0724% (0.73   1.0  1.00   0.02  11.55) =   0.008%
          QE    LYS+  99 - HA    PHE   97   7.86 +/- 0.80   4.904% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB3   TRP   27 - HA    PHE   97  12.97 +/- 2.84   1.573% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   60 - HA    PHE   97  12.73 +/- 3.13   1.950% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  38 - HA    PHE   97  14.91 +/- 3.55   0.868% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1135 (2.36, 5.36, 56.63 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.44, residual support = 62.2:
    * O T HB3   PHE   97 - HA    PHE   97   2.76 +/- 0.23  95.146% * 99.7224% (0.95  10.0 10.00   3.44  62.20) =  99.997%  kept
          HB2   GLU- 100 - HA    PHE   97  11.25 +/- 0.73   1.557% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   58 - HA    PHE   97  16.66 +/- 3.59   0.831% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HA    PHE   97  16.62 +/- 3.12   0.572% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    PHE   97  15.43 +/- 3.81   1.893% *  0.0185% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1136 (5.36, 2.99, 40.60 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.89, residual support = 62.2:
    * O T HA    PHE   97 - HB2   PHE   97   2.90 +/- 0.21 100.000% *100.0000% (1.00  10.0 10.00   2.89  62.20) = 100.000%  kept
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1137 (2.99, 2.99, 40.60 ppm):
    1 diagonal assignment:
    *     HB2   PHE   97 - HB2   PHE   97  (1.00)  kept
 
    Peak 1138 (2.36, 2.99, 40.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.31, residual support = 62.2:
    * O T HB3   PHE   97 - HB2   PHE   97   1.75 +/- 0.00  98.866% * 99.7224% (0.95  10.0 10.00   3.31  62.20) =  99.999%  kept
          HB2   GLU- 100 - HB2   PHE   97  11.54 +/- 1.18   0.387% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PHE   97  17.25 +/- 4.48   0.307% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   PHE   97  16.02 +/- 3.58   0.164% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   97  17.49 +/- 3.79   0.275% *  0.0185% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1139 (5.36, 2.36, 40.60 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.44, residual support = 62.2:
    * O T HA    PHE   97 - HB3   PHE   97   2.76 +/- 0.23 100.000% *100.0000% (0.95  10.0 10.00   3.44  62.20) = 100.000%  kept
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1140 (2.99, 2.36, 40.60 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.31, residual support = 62.1:
    * O T HB2   PHE   97 - HB3   PHE   97   1.75 +/- 0.00  94.520% * 95.9230% (0.95  10.0 10.00   3.31  62.20) =  99.877%  kept
          QE    LYS+ 106 - HB3   PHE   97   6.95 +/- 1.37   2.841% *  3.8724% (0.69   1.0  1.00   1.11  11.55) =   0.121%  kept
          QE    LYS+  99 - HB3   PHE   97   7.53 +/- 1.24   1.639% *  0.0394% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HB3   PHE   97  14.98 +/- 3.29   0.324% *  0.0957% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   PHE   97  13.42 +/- 3.54   0.463% *  0.0505% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   PHE   97  15.46 +/- 3.90   0.212% *  0.0190% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1141 (2.36, 2.36, 40.60 ppm):
    1 diagonal assignment:
    *     HB3   PHE   97 - HB3   PHE   97  (0.89)  kept
 
    Peak 1142 (5.51, 5.51, 53.84 ppm):
    1 diagonal assignment:
    *     HA    LEU   98 - HA    LEU   98  (1.00)  kept
 
    Peak 1143 (1.41, 5.51, 53.84 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.97, residual support = 76.6:
    * O T QB    LEU   98 - HA    LEU   98   2.25 +/- 0.13  91.919% * 99.2568% (0.87  10.0 10.00   4.97  76.63) =  99.995%  kept
          HD3   LYS+ 121 - HA    LEU   98  15.57 +/- 7.83   1.008% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HA    LEU   98  16.26 +/- 3.38   0.945% *  0.1142% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HA    LEU   98  17.63 +/- 4.18   0.425% *  0.1104% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    LEU   98  10.28 +/- 4.23   1.886% *  0.0226% (0.20   1.0  1.00   0.02   0.37) =   0.000%
          QB    ALA   61 - HA    LEU   98  15.02 +/- 2.90   0.853% *  0.0353% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   98  21.57 +/- 4.88   0.345% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LEU   98  16.52 +/- 3.13   0.338% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LEU   98  18.49 +/- 4.36   0.310% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LEU   98  15.85 +/- 1.49   0.285% *  0.0602% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LEU   98  14.24 +/- 3.18   0.807% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LEU   98  16.63 +/- 4.29   0.413% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LEU   98  16.44 +/- 3.35   0.318% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   98  20.34 +/- 2.76   0.148% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1144 (0.71, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.96, support = 4.92, residual support = 72.9:
    *   T QD1   LEU   98 - HA    LEU   98   2.93 +/- 0.61  53.124% * 93.3826% (1.00 10.00   4.94  76.63) =  94.283%  kept
          QD2   LEU  104 - HA    LEU   98   3.31 +/- 1.23  45.825% *  6.5639% (0.31  1.00   4.55  11.02) =   5.717%  kept
          QG2   ILE   19 - HA    LEU   98  14.46 +/- 2.33   0.518% *  0.0350% (0.38  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU   98  14.21 +/- 2.73   0.533% *  0.0185% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1145 (0.55, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 4.1, residual support = 75.4:
    *   T QD2   LEU   98 - HA    LEU   98   3.79 +/- 0.44  70.305% * 93.0131% (1.00 10.00   4.16  76.63) =  97.783%  kept
          QG2   VAL   41 - HA    LEU   98   7.76 +/- 4.25  24.365% *  6.0185% (0.95  1.00   1.37  20.04) =   2.193%  kept
        T QD1   LEU   80 - HA    LEU   98  15.88 +/- 4.00   1.622% *  0.9301% (1.00 10.00   0.02   0.02) =   0.023%
          QD2   LEU   63 - HA    LEU   98  12.47 +/- 3.46   3.708% *  0.0382% (0.41  1.00   0.02   0.02) =   0.002%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1146 (5.51, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.97, residual support = 76.6:
    * O T HA    LEU   98 - QB    LEU   98   2.25 +/- 0.13 100.000% *100.0000% (0.87  10.0 10.00   4.97  76.63) = 100.000%  kept
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1147 (1.41, 1.41, 47.50 ppm):
    1 diagonal assignment:
    *     QB    LEU   98 - QB    LEU   98  (0.75)  kept
 
    Peak 1148 (0.71, 1.41, 47.50 ppm):
    4 chemical-shift based assignments, quality = 0.863, support = 3.96, residual support = 76.1:
    * O T QD1   LEU   98 - QB    LEU   98   2.15 +/- 0.18  86.579% * 94.4044% (0.87  10.0 10.00   3.96  76.63) =  99.265%  kept
          QD2   LEU  104 - QB    LEU   98   4.50 +/- 0.89  11.894% *  5.0544% (0.27   1.0  1.00   3.47  11.02) =   0.730%  kept
        T QG2   ILE   19 - QB    LEU   98  12.00 +/- 2.07   0.701% *  0.3543% (0.33   1.0 10.00   0.02   0.02) =   0.003%
        T QD1   ILE   19 - QB    LEU   98  11.85 +/- 2.39   0.826% *  0.1868% (0.17   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1149 (0.55, 1.41, 47.50 ppm):
    4 chemical-shift based assignments, quality = 0.859, support = 3.07, residual support = 67.1:
    * O T QD2   LEU   98 - QB    LEU   98   2.05 +/- 0.11  81.016% * 51.1151% (0.87  10.0 10.00   3.22  76.63) =  83.077%  kept
        T QG2   VAL   41 - QB    LEU   98   5.74 +/- 3.88  17.439% * 48.3528% (0.82   1.0 10.00   2.33  20.04) =  16.916%  kept
        T QD1   LEU   80 - QB    LEU   98  12.85 +/- 3.82   0.688% *  0.5112% (0.87   1.0 10.00   0.02   0.02) =   0.007%
          QD2   LEU   63 - QB    LEU   98  11.27 +/- 2.92   0.857% *  0.0210% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1150 (5.51, 0.71, 25.69 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.94, residual support = 76.6:
    *   T HA    LEU   98 - QD1   LEU   98   2.93 +/- 0.61 100.000% *100.0000% (1.00 10.00   4.94  76.63) = 100.000%  kept
    Distance limit 3.36 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1151 (1.41, 0.71, 25.69 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 3.96, residual support = 76.6:
    * O T QB    LEU   98 - QD1   LEU   98   2.15 +/- 0.18  88.026% * 98.1517% (0.87  10.0 10.00   3.96  76.63) =  99.986%  kept
        T HG12  ILE   19 - QD1   LEU   98  13.72 +/- 2.71   0.520% *  0.6863% (0.61   1.0 10.00   0.02   0.02) =   0.004%
        T HG    LEU   80 - QD1   LEU   98  14.12 +/- 3.35   0.579% *  0.5508% (0.49   1.0 10.00   0.02   0.02) =   0.004%
          HB3   LYS+  74 - QD1   LEU   98  13.40 +/- 2.66   0.840% *  0.1129% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - QD1   LEU   98  13.43 +/- 3.34   0.819% *  0.1092% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD1   LEU   98   9.36 +/- 3.91   3.377% *  0.0224% (0.20   1.0  1.00   0.02   0.37) =   0.001%
          HD3   LYS+ 121 - QD1   LEU   98  14.82 +/- 5.85   0.642% *  0.1132% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - QD1   LEU   98  12.95 +/- 3.08   1.595% *  0.0349% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QD1   LEU   98  17.78 +/- 4.00   0.667% *  0.0686% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - QD1   LEU   98  13.55 +/- 1.78   0.439% *  0.0595% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   98  11.56 +/- 3.12   1.293% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   98  13.41 +/- 3.25   0.531% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   98  14.77 +/- 3.58   0.430% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   98  17.51 +/- 2.97   0.242% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1152 (0.71, 0.71, 25.69 ppm):
    1 diagonal assignment:
    *     QD1   LEU   98 - QD1   LEU   98  (1.00)  kept
 
    Peak 1153 (0.55, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 2.59, residual support = 76.1:
    * O T QD2   LEU   98 - QD1   LEU   98   2.04 +/- 0.06  83.161% * 94.2991% (1.00  10.0 10.00   2.60  76.63) =  99.085%  kept
          QG2   VAL   41 - QD1   LEU   98   6.36 +/- 3.97  15.186% *  4.7191% (0.95   1.0  1.00   1.06  20.04) =   0.906%  kept
        T QD1   LEU   80 - QD1   LEU   98  12.20 +/- 3.05   0.752% *  0.9430% (1.00   1.0 10.00   0.02   0.02) =   0.009%
          QD2   LEU   63 - QD1   LEU   98  11.32 +/- 2.86   0.901% *  0.0388% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1154 (5.51, 0.55, 25.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.16, residual support = 76.6:
    *   T HA    LEU   98 - QD2   LEU   98   3.79 +/- 0.44  97.690% * 99.4301% (1.00 10.00   4.16  76.63) =  99.986%  kept
        T HA    LEU   98 - QD1   LEU   80  15.88 +/- 4.00   2.310% *  0.5699% (0.57 10.00   0.02   0.02) =   0.014%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1155 (1.41, 0.55, 25.87 ppm):
    28 chemical-shift based assignments, quality = 0.7, support = 3.79, residual support = 79.8:
    * O T QB    LEU   98 - QD2   LEU   98   2.05 +/- 0.11  37.352% * 50.3539% (0.87  10.0 10.00   3.22  76.63) =  63.181%  kept
      O   HG    LEU   80 - QD1   LEU   80   2.11 +/- 0.02  34.562% * 16.1964% (0.28  10.0  1.00   4.59  85.37) =  18.805%  kept
      O T HB2   LEU   80 - QD1   LEU   80   2.85 +/- 0.40  16.683% * 32.1120% (0.55  10.0 10.00   4.96  85.37) =  17.997%  kept
        T HB2   LEU   80 - QD2   LEU   98  12.34 +/- 3.93   0.480% *  0.5602% (0.97   1.0 10.00   0.02   0.02) =   0.009%
        T QB    LEU   98 - QD1   LEU   80  12.85 +/- 3.82   0.317% *  0.2886% (0.50   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LYS+  74 - QD1   LEU   80  10.66 +/- 4.15   1.051% *  0.0332% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QD1   LEU   80  10.72 +/- 4.99   3.600% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD2   LEU   98   8.60 +/- 3.51   1.451% *  0.0115% (0.20   1.0  1.00   0.02   0.37) =   0.001%
          HB3   LYS+  74 - QD2   LEU   98  12.33 +/- 2.44   0.249% *  0.0579% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   98  14.92 +/- 5.07   0.192% *  0.0580% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   98  12.48 +/- 2.97   0.299% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD2   LEU   98  12.96 +/- 3.99   0.298% *  0.0283% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   98  12.35 +/- 2.66   0.381% *  0.0179% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   98  16.93 +/- 3.86   0.173% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD1   LEU   80  14.15 +/- 4.85   0.285% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD2   LEU   98  10.30 +/- 2.97   0.624% *  0.0090% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   98  12.19 +/- 3.29   0.288% *  0.0145% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   98  13.83 +/- 1.48   0.134% *  0.0305% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   80  12.51 +/- 3.52   0.333% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   80  15.17 +/- 3.16   0.148% *  0.0175% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   80  17.91 +/- 4.93   0.109% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD2   LEU   98  13.88 +/- 3.33   0.181% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   80  21.08 +/- 3.46   0.056% *  0.0333% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   80  14.09 +/- 4.18   0.244% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   80  15.99 +/- 5.79   0.170% *  0.0083% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   98  16.70 +/- 2.63   0.092% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   80  15.86 +/- 3.67   0.128% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   80  16.30 +/- 3.60   0.118% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1156 (0.71, 0.55, 25.87 ppm):
    8 chemical-shift based assignments, quality = 0.996, support = 2.59, residual support = 76.2:
    * O T QD1   LEU   98 - QD2   LEU   98   2.04 +/- 0.06  89.241% * 89.6428% (1.00  10.0 10.00   2.60  76.63) =  99.372%  kept
        T QD2   LEU  104 - QD2   LEU   98   5.63 +/- 0.83   5.209% *  9.6039% (0.31   1.0 10.00   0.69  11.02) =   0.621%  kept
        T QD1   LEU   98 - QD1   LEU   80  12.20 +/- 3.05   0.802% *  0.5138% (0.57   1.0 10.00   0.02   0.02) =   0.005%
        T QD2   LEU  104 - QD1   LEU   80  15.34 +/- 3.54   0.348% *  0.1586% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   19 - QD1   LEU   80  11.33 +/- 3.98   1.407% *  0.0193% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD2   LEU   98  10.86 +/- 2.08   0.746% *  0.0336% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   98  10.72 +/- 2.41   1.201% *  0.0177% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   80  12.13 +/- 4.25   1.045% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1157 (0.55, 0.55, 25.87 ppm):
    2 diagonal assignments:
    *     QD2   LEU   98 - QD2   LEU   98  (1.00)  kept
          QD1   LEU   80 - QD1   LEU   80  (0.57)  kept
 
    Peak 1158 (4.38, 4.38, 58.15 ppm):
    1 diagonal assignment:
    *     HA    LYS+  99 - HA    LYS+  99  (1.00)  kept
 
    Peak 1160 (1.24, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 6.44, residual support = 175.0:
    * O T HG3   LYS+  99 - HA    LYS+  99   3.24 +/- 0.42  74.072% * 98.4822% (1.00  10.0 10.00   6.44 175.13) =  99.916%  kept
          QG2   THR   39 - HA    LYS+  99  10.39 +/- 5.95   7.415% *  0.3350% (0.65   1.0  1.00   0.11   0.02) =   0.034%
        T HG3   LYS+  38 - HA    LYS+  99  13.58 +/- 8.52   6.261% *  0.3696% (0.38   1.0 10.00   0.02   0.02) =   0.032%
          HG2   LYS+  74 - HA    LYS+  99  16.68 +/- 3.47   6.343% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.009%
        T HG12  ILE   89 - HA    LYS+  99  16.18 +/- 1.97   0.770% *  0.4049% (0.41   1.0 10.00   0.02   0.02) =   0.004%
          HG    LEU   71 - HA    LYS+  99  14.77 +/- 6.07   2.617% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HG13  ILE   19 - HA    LYS+  99  15.14 +/- 4.00   1.271% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   91 - HA    LYS+  99  18.43 +/- 0.74   0.453% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  99  18.68 +/- 2.67   0.544% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LYS+  99  23.62 +/- 2.28   0.256% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1161 (1.70, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.762, support = 5.92, residual support = 175.1:
    *   T QD    LYS+  99 - HA    LYS+  99   3.69 +/- 0.87  35.583% * 69.7607% (1.00   1.0 10.00   5.82 175.13) =  59.691%  kept
      O T HB3   LYS+  99 - HA    LYS+  99   2.81 +/- 0.32  58.396% * 28.6795% (0.41  10.0 10.00   6.07 175.13) =  40.273%  kept
        T QD    LYS+ 106 - HA    LYS+  99  10.53 +/- 1.27   1.784% *  0.6961% (1.00   1.0 10.00   0.02   0.02) =   0.030%
        T QG1   ILE   56 - HA    LYS+  99  18.51 +/- 2.61   0.273% *  0.3670% (0.53   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LEU  123 - HA    LYS+  99  21.98 +/- 6.01   0.194% *  0.2868% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HA    LYS+  99  14.73 +/- 3.32   0.712% *  0.0644% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HA    LYS+  99   8.20 +/- 1.04   2.711% *  0.0155% (0.22   1.0  1.00   0.02   1.59) =   0.001%
          HB3   MET   92 - HA    LYS+  99  22.51 +/- 0.85   0.118% *  0.0559% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+  99  24.14 +/- 2.31   0.109% *  0.0479% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  99  22.30 +/- 1.00   0.121% *  0.0262% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1162 (1.33, 4.38, 58.15 ppm):
    12 chemical-shift based assignments, quality = 0.988, support = 6.99, residual support = 172.8:
    * O T HG2   LYS+  99 - HA    LYS+  99   2.93 +/- 0.46  62.510% * 94.9935% (1.00  10.0 10.00   7.05 175.13) =  98.489%  kept
          HG    LEU   98 - HA    LYS+  99   5.06 +/- 1.41  24.461% *  3.6038% (0.22   1.0  1.00   3.41  18.55) =   1.462%  kept
        T HG2   LYS+  38 - HA    LYS+  99  13.45 +/- 7.64   2.487% *  0.9311% (0.98   1.0 10.00   0.02   0.02) =   0.038%
          HB2   LEU   31 - HA    LYS+  99  12.24 +/- 5.27   5.468% *  0.0793% (0.84   1.0  1.00   0.02   0.02) =   0.007%
          HB3   LEU   80 - HA    LYS+  99  19.00 +/- 4.88   0.619% *  0.0653% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HA    LYS+  99  15.90 +/- 3.41   0.713% *  0.0538% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - HA    LYS+  99  15.61 +/- 1.99   0.527% *  0.0690% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - HA    LYS+  99  15.54 +/- 2.65   1.096% *  0.0324% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    LYS+  99  15.44 +/- 1.98   0.591% *  0.0426% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  99  16.15 +/- 3.32   0.958% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  99  23.50 +/- 2.69   0.148% *  0.0852% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  99  20.51 +/- 6.23   0.422% *  0.0293% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1163 (3.01, 4.38, 58.15 ppm):
    5 chemical-shift based assignments, quality = 0.996, support = 5.4, residual support = 173.5:
    *   T QE    LYS+  99 - HA    LYS+  99   3.84 +/- 0.46  70.187% * 91.6985% (1.00 10.00   5.44 175.13) =  99.082%  kept
        T QE    LYS+ 102 - HA    LYS+  99   8.55 +/- 0.70   7.169% *  7.4003% (0.69 10.00   0.23   1.59) =   0.817%  kept
        T QE    LYS+  38 - HA    LYS+  99  12.15 +/- 6.55   7.272% *  0.8224% (0.90 10.00   0.02   0.02) =   0.092%
          HB2   PHE   97 - HA    LYS+  99   7.44 +/- 0.84  12.102% *  0.0377% (0.41  1.00   0.02   0.02) =   0.007%
          HB3   TRP   27 - HA    LYS+  99  14.20 +/- 3.71   3.270% *  0.0411% (0.45  1.00   0.02   0.02) =   0.002%
    Distance limit 4.34 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1164 (4.38, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 6.98, residual support = 174.6:
    * O T HA    LYS+  99 - HB2   LYS+  99   2.59 +/- 0.25  79.075% * 98.0011% (1.00  10.0 10.00   7.00 175.13) =  99.689%  kept
          HA    LEU   40 - HB2   LYS+  99   9.50 +/- 7.86  15.153% *  1.5786% (0.25   1.0  1.00   1.29   8.09) =   0.308%  kept
          HA    ASN   35 - HB2   LYS+  99  14.12 +/- 6.77   1.267% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU  123 - HB2   LYS+  99  20.92 +/- 7.43   0.403% *  0.0850% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LYS+  99  23.07 +/- 6.39   2.457% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LYS+  99  22.18 +/- 3.23   0.158% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LYS+  99  22.42 +/- 2.86   0.140% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LYS+  99  18.15 +/- 5.56   0.706% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   LYS+  99  18.52 +/- 3.86   0.358% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LYS+  99  20.21 +/- 3.70   0.284% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1165 (1.77, 1.77, 37.34 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  99 - HB2   LYS+  99  (1.00)  kept
 
    Peak 1166 (1.24, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.41, residual support = 175.1:
    * O T HG3   LYS+  99 - HB2   LYS+  99   2.67 +/- 0.29  86.646% * 98.7502% (1.00  10.0 10.00   6.41 175.13) =  99.977%  kept
        T HG3   LYS+  38 - HB2   LYS+  99  14.67 +/- 8.54   2.688% *  0.3706% (0.38   1.0 10.00   0.02   0.02) =   0.012%
          HG2   LYS+  74 - HB2   LYS+  99  17.31 +/- 3.78   3.912% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.005%
          QG2   THR   39 - HB2   LYS+  99  11.43 +/- 5.98   3.275% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.002%
        T HG12  ILE   89 - HB2   LYS+  99  16.56 +/- 1.73   0.396% *  0.4060% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   71 - HB2   LYS+  99  15.61 +/- 6.05   1.396% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HB2   LYS+  99  16.34 +/- 4.22   0.841% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HB2   LYS+  99  18.46 +/- 0.82   0.280% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  99  18.17 +/- 2.82   0.383% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+  99  22.53 +/- 2.48   0.183% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1167 (1.70, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.701, support = 5.24, residual support = 175.1:
      O   HB3   LYS+  99 - HB2   LYS+  99   1.75 +/- 0.00  69.334% * 29.0322% (0.41  10.0   4.79 175.13) =  50.841%  kept
    * O   QD    LYS+  99 - HB2   LYS+  99   2.48 +/- 0.32  27.559% * 70.6187% (1.00  10.0   5.69 175.13) =  49.156%  kept
          QD    LYS+ 106 - HB2   LYS+  99   9.96 +/- 1.44   0.789% *  0.0705% (1.00   1.0   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HB2   LYS+  99   8.03 +/- 1.63   1.850% *  0.0157% (0.22   1.0   0.02   1.59) =   0.001%
          HB2   LEU   73 - HB2   LYS+  99  15.77 +/- 3.32   0.190% *  0.0652% (0.92   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB2   LYS+  99  17.91 +/- 2.83   0.087% *  0.0372% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+  99  20.63 +/- 6.61   0.089% *  0.0290% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+  99  22.52 +/- 0.78   0.033% *  0.0565% (0.80   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HB2   LYS+  99  23.03 +/- 2.36   0.034% *  0.0485% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB2   LYS+  99  22.02 +/- 0.99   0.036% *  0.0265% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1168 (1.33, 1.77, 37.34 ppm):
    12 chemical-shift based assignments, quality = 0.996, support = 6.99, residual support = 174.4:
    * O   HG2   LYS+  99 - HB2   LYS+  99   2.86 +/- 0.22  79.559% * 96.1359% (1.00  10.0   7.01 175.13) =  99.526%  kept
          HG    LEU   98 - HB2   LYS+  99   6.10 +/- 1.01  10.873% *  3.2927% (0.22   1.0   3.08  18.55) =   0.466%  kept
          HB2   LEU   31 - HB2   LYS+  99  14.08 +/- 4.95   2.831% *  0.0803% (0.84   1.0   0.02   0.02) =   0.003%
          HG2   LYS+  38 - HB2   LYS+  99  14.67 +/- 7.60   1.602% *  0.0942% (0.98   1.0   0.02   0.02) =   0.002%
          HB2   LEU   63 - HB2   LYS+  99  15.59 +/- 3.76   0.840% *  0.0544% (0.57   1.0   0.02   0.02) =   0.001%
          QB    ALA   88 - HB2   LYS+  99  15.98 +/- 1.84   0.577% *  0.0698% (0.73   1.0   0.02   0.02) =   0.001%
          QG2   THR   77 - HB2   LYS+  99  16.11 +/- 2.45   0.899% *  0.0328% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  99  20.25 +/- 4.35   0.428% *  0.0660% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  99  15.73 +/- 2.20   0.606% *  0.0431% (0.45   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  99  19.45 +/- 6.76   0.602% *  0.0297% (0.31   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  99  22.38 +/- 2.97   0.206% *  0.0862% (0.90   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+  99  16.84 +/- 3.01   0.977% *  0.0148% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1169 (3.01, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 5.22, residual support = 174.8:
    *     QE    LYS+  99 - HB2   LYS+  99   3.19 +/- 0.43  74.930% * 97.6177% (1.00   5.23 175.13) =  99.806%  kept
          QE    LYS+ 102 - HB2   LYS+  99   8.35 +/- 1.09   6.264% *  1.7267% (0.69   0.13   1.59) =   0.148%  kept
          HB2   PHE   97 - HB2   LYS+  99   6.39 +/- 0.84  14.479% *  0.1535% (0.41   0.02   0.02) =   0.030%
          QE    LYS+  38 - HB2   LYS+  99  12.98 +/- 6.66   2.889% *  0.3348% (0.90   0.02   0.02) =   0.013%
          HB3   TRP   27 - HB2   LYS+  99  15.67 +/- 3.65   1.438% *  0.1674% (0.45   0.02   0.02) =   0.003%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1170 (4.38, 1.24, 26.01 ppm):
    30 chemical-shift based assignments, quality = 0.999, support = 6.43, residual support = 174.9:
    * O T HA    LYS+  99 - HG3   LYS+  99   3.24 +/- 0.42  41.830% * 97.6328% (1.00  10.0 10.00   6.44 175.13) =  99.847%  kept
          HA    LEU   40 - HG3   LYS+  99  10.02 +/- 8.11  16.078% *  0.3069% (0.25   1.0  1.00   0.25   8.09) =   0.121%  kept
        T HA    LYS+  99 - HG3   LYS+  38  13.58 +/- 8.52   3.633% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.009%
          HA    ASN   35 - HG3   LYS+  99  13.46 +/- 7.61   2.226% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.005%
          HA    ASN   35 - HG3   LYS+  38   5.19 +/- 1.58  19.248% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.005%
        T HA    LYS+  99 - HG12  ILE   89  16.18 +/- 1.97   0.412% *  0.3960% (0.41   1.0 10.00   0.02   0.02) =   0.004%
        T HA    ILE   56 - HG3   LYS+  99  23.88 +/- 3.31   0.158% *  0.9236% (0.95   1.0 10.00   0.02   0.02) =   0.004%
          HA    LEU  123 - HG3   LYS+  99  21.95 +/- 7.68   0.552% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HG3   LYS+  99  22.64 +/- 7.17   3.060% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HG12  ILE   89  21.57 +/- 4.29   0.704% *  0.0382% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   56 - HG12  ILE   89  17.30 +/- 3.60   0.678% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HG12  ILE   89  17.64 +/- 4.02   1.850% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  99  24.24 +/- 2.77   0.133% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG12  ILE   89  18.89 +/- 2.95   0.310% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  38  27.25 +/- 4.12   0.104% *  0.0964% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  99  17.93 +/- 6.19   0.733% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG12  ILE   89  16.92 +/- 3.45   0.937% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  99  20.11 +/- 3.90   0.364% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   LYS+  38   8.14 +/- 1.17   3.447% *  0.0025% (0.03   1.0  1.00   0.02   0.83) =   0.000%
          HA    PRO   58 - HG3   LYS+  99  21.71 +/- 3.83   0.306% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG12  ILE   89  24.65 +/- 3.41   0.127% *  0.0343% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  38  25.09 +/- 6.96   0.459% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG12  ILE   89  17.14 +/- 2.64   0.373% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  38  14.93 +/- 4.69   1.090% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  38  19.61 +/- 5.23   0.584% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG12  ILE   89  23.65 +/- 4.02   0.145% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  38  29.23 +/- 3.75   0.076% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG12  ILE   89  28.42 +/- 4.51   0.078% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  38  23.11 +/- 3.12   0.150% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  38  24.12 +/- 3.89   0.154% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1172 (1.24, 1.24, 26.01 ppm):
    3 diagonal assignments:
    *     HG3   LYS+  99 - HG3   LYS+  99  (1.00)  kept
          HG12  ILE   89 - HG12  ILE   89  (0.17)  kept
          HG3   LYS+  38 - HG3   LYS+  38  (0.04)  kept
 
    Peak 1175 (3.01, 1.24, 26.01 ppm):
    15 chemical-shift based assignments, quality = 0.924, support = 4.75, residual support = 178.7:
    * O T QE    LYS+  99 - HG3   LYS+  99   2.78 +/- 0.60  44.050% * 89.0505% (1.00  10.0 10.00   4.78 175.13) =  91.583%  kept
      O T QE    LYS+  38 - HG3   LYS+  38   2.80 +/- 0.45  42.845% *  8.3338% (0.09  10.0 10.00   4.39 219.76) =   8.336%  kept
        T QE    LYS+ 102 - HG3   LYS+  99   8.82 +/- 1.42   2.349% *  0.6117% (0.69   1.0 10.00   0.02   1.59) =   0.034%
        T QE    LYS+  38 - HG3   LYS+  99  12.11 +/- 7.60   1.617% *  0.7986% (0.90   1.0 10.00   0.02   0.02) =   0.030%
        T QE    LYS+  99 - HG3   LYS+  38  12.50 +/- 8.54   2.563% *  0.0929% (0.10   1.0 10.00   0.02   0.02) =   0.006%
        T QE    LYS+ 102 - HG12  ILE   89  15.78 +/- 2.35   0.438% *  0.2481% (0.28   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  99 - HG12  ILE   89  16.80 +/- 1.82   0.281% *  0.3611% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          HB2   PHE   97 - HG3   LYS+  99   8.50 +/- 1.06   2.138% *  0.0366% (0.41   1.0  1.00   0.02   0.02) =   0.002%
        T QE    LYS+  38 - HG12  ILE   89  20.72 +/- 3.70   0.220% *  0.3239% (0.36   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+ 102 - HG3   LYS+  38  17.17 +/- 8.21   0.995% *  0.0638% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HG3   LYS+  99  16.53 +/- 4.00   0.615% *  0.0399% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - HG12  ILE   89  12.30 +/- 1.88   0.814% *  0.0148% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG12  ILE   89  14.85 +/- 2.08   0.393% *  0.0162% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  38  16.37 +/- 2.53   0.461% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  38  17.84 +/- 5.30   0.220% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1176 (4.38, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 0.998, support = 5.8, residual support = 174.7:
    *   T HA    LYS+  99 - QD    LYS+  99   3.69 +/- 0.87  52.668% * 95.3655% (1.00 10.00   5.82 175.13) =  99.743%  kept
          HA    LEU   40 - QD    LYS+  99   9.43 +/- 7.22  19.367% *  0.2998% (0.25  1.00   0.25   8.09) =   0.115%  kept
        T HA    LYS+  99 - QD    LYS+ 106  10.53 +/- 1.27   4.452% *  0.7678% (0.81 10.00   0.02   0.02) =   0.068%
        T HA    LEU  123 - QD    LYS+  99  19.00 +/- 7.52   1.675% *  0.8272% (0.87 10.00   0.02   0.02) =   0.028%
        T HA    ILE   56 - QD    LYS+ 106  15.80 +/- 3.70   1.140% *  0.7263% (0.76 10.00   0.02   0.02) =   0.016%
        T HA    LEU  123 - QD    LYS+ 106  19.28 +/- 3.96   0.639% *  0.6660% (0.70 10.00   0.02   0.02) =   0.008%
        T HA    ILE   56 - QD    LYS+  99  21.21 +/- 3.35   0.437% *  0.9021% (0.95 10.00   0.02   0.02) =   0.008%
          HA    ASN   35 - QD    LYS+  99  12.84 +/- 6.51   3.280% *  0.0920% (0.97  1.00   0.02   0.02) =   0.006%
          HA    ASP- 113 - QD    LYS+ 106  14.69 +/- 2.15   1.296% *  0.0641% (0.67  1.00   0.02   0.02) =   0.002%
          HA    ASN   35 - QD    LYS+ 106  18.25 +/- 3.09   0.656% *  0.0741% (0.78  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - QD    LYS+  99  20.49 +/- 6.59   3.558% *  0.0129% (0.14  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - QD    LYS+  99  16.27 +/- 5.82   3.248% *  0.0129% (0.14  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - QD    LYS+  99  21.33 +/- 2.99   0.409% *  0.0797% (0.84  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QD    LYS+ 106  13.78 +/- 3.00   1.614% *  0.0191% (0.20  1.00   0.02   0.02) =   0.001%
          HA    PHE   59 - QD    LYS+ 106  14.60 +/- 3.34   1.372% *  0.0191% (0.20  1.00   0.02   0.02) =   0.001%
          HA    PHE   59 - QD    LYS+  99  17.69 +/- 3.87   1.008% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+ 106  16.13 +/- 3.71   1.311% *  0.0118% (0.12  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+  99  19.23 +/- 3.88   0.730% *  0.0147% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+ 106  21.01 +/- 4.11   0.660% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+ 106  25.57 +/- 4.57   0.481% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1179 (1.33, 1.70, 30.22 ppm):
    24 chemical-shift based assignments, quality = 0.999, support = 5.82, residual support = 174.9:
    * O   HG2   LYS+  99 - QD    LYS+  99   2.36 +/- 0.16  60.649% * 94.9906% (1.00  10.0  1.00   5.83 175.13) =  99.834%  kept
          HG    LEU   98 - QD    LYS+  99   7.31 +/- 1.24   2.882% *  2.5127% (0.22   1.0  1.00   2.38  18.55) =   0.125%  kept
        T HG2   LYS+ 111 - QD    LYS+ 106  12.67 +/- 2.77   0.958% *  0.6859% (0.72   1.0 10.00   0.02   0.02) =   0.011%
          QB    ALA   88 - QD    LYS+ 106   8.54 +/- 2.36   7.039% *  0.0555% (0.58   1.0  1.00   0.02   0.02) =   0.007%
          HB2   LEU   31 - QD    LYS+  99  13.47 +/- 4.90   3.708% *  0.0793% (0.84   1.0  1.00   0.02   0.02) =   0.005%
          HB3   ASP-  44 - QD    LYS+ 106  10.79 +/- 2.53   5.918% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.004%
          HG2   LYS+  38 - QD    LYS+  99  12.90 +/- 7.50   1.904% *  0.0931% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   77 - QD    LYS+ 106  11.27 +/- 3.31   6.425% *  0.0261% (0.27   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   63 - QD    LYS+ 106  13.79 +/- 3.04   2.316% *  0.0433% (0.46   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   LYS+ 111 - QD    LYS+  99  21.63 +/- 2.96   0.103% *  0.8519% (0.90   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   98 - QD    LYS+ 106   7.71 +/- 1.27   2.780% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD    LYS+ 106  12.10 +/- 1.34   0.610% *  0.0765% (0.81   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - QD    LYS+ 106  15.04 +/- 3.36   0.444% *  0.0525% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 106  15.69 +/- 3.17   0.330% *  0.0639% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  99  15.02 +/- 3.64   0.375% *  0.0538% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 106  10.69 +/- 2.35   1.401% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  99  15.85 +/- 1.73   0.236% *  0.0690% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  99  17.34 +/- 6.93   0.474% *  0.0293% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  99  15.71 +/- 2.45   0.397% *  0.0324% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  99  19.74 +/- 4.17   0.170% *  0.0652% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  99  15.82 +/- 2.22   0.247% *  0.0426% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+ 106  19.36 +/- 3.03   0.139% *  0.0750% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  99  16.60 +/- 2.73   0.319% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 106  18.43 +/- 3.53   0.175% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.24, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 5.26, residual support = 175.0:
    * O T HG3   LYS+  99 - QD    LYS+  99   2.34 +/- 0.18  79.761% * 94.6730% (1.00  10.0 10.00   5.26 175.13) =  99.923%  kept
        T HG3   LYS+  38 - QD    LYS+  99  12.87 +/- 8.41   4.066% *  0.3553% (0.38   1.0 10.00   0.02   0.02) =   0.019%
        T HG12  ILE   89 - QD    LYS+ 106   8.34 +/- 2.34   3.659% *  0.3134% (0.33   1.0 10.00   0.02   0.02) =   0.015%
        T HG2   LYS+  74 - QD    LYS+  99  16.85 +/- 3.73   1.028% *  0.9446% (1.00   1.0 10.00   0.02   0.02) =   0.013%
        T HG3   LYS+  99 - QD    LYS+ 106  11.83 +/- 1.53   0.920% *  0.7623% (0.81   1.0 10.00   0.02   0.02) =   0.009%
        T HG2   LYS+  74 - QD    LYS+ 106  14.61 +/- 3.21   0.572% *  0.7606% (0.80   1.0 10.00   0.02   0.02) =   0.006%
        T QG2   ILE   56 - QD    LYS+ 106  12.39 +/- 3.10   1.159% *  0.1697% (0.18   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 111 - QD    LYS+ 106  12.72 +/- 2.44   0.723% *  0.2600% (0.27   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   39 - QD    LYS+  99  10.50 +/- 5.83   2.773% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - QD    LYS+  99  15.15 +/- 4.40   1.349% *  0.0896% (0.95   1.0  1.00   0.02   0.02) =   0.002%
        T HG12  ILE   89 - QD    LYS+  99  16.77 +/- 1.73   0.255% *  0.3892% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QD    LYS+  99  14.49 +/- 5.80   0.858% *  0.0938% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - QD    LYS+ 106   9.96 +/- 1.31   1.250% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - QD    LYS+ 106  19.35 +/- 3.76   0.195% *  0.2861% (0.30   1.0 10.00   0.02   0.02) =   0.001%
        T QG2   ILE   56 - QD    LYS+  99  17.48 +/- 2.82   0.253% *  0.2108% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+  99  21.78 +/- 2.47   0.119% *  0.3229% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QD    LYS+ 106  14.73 +/- 2.22   0.395% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 106  18.04 +/- 3.10   0.267% *  0.0721% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 106  17.94 +/- 2.74   0.212% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  99  18.11 +/- 0.90   0.186% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1181 (3.01, 1.70, 30.22 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.47, residual support = 174.8:
    * O T QE    LYS+  99 - QD    LYS+  99   2.09 +/- 0.02  85.170% * 93.8404% (1.00  10.0 10.00   4.47 175.13) =  99.779%  kept
          HB2   PHE   97 - QD    LYS+ 106   5.88 +/- 0.90   4.939% *  2.6067% (0.33   1.0  1.00   1.68  11.55) =   0.161%  kept
        T QE    LYS+  38 - QD    LYS+  99  11.30 +/- 6.72   2.556% *  0.8416% (0.90   1.0 10.00   0.02   0.02) =   0.027%
        T QE    LYS+ 102 - QD    LYS+  99   8.22 +/- 1.15   1.745% *  0.6446% (0.69   1.0 10.00   0.02   1.59) =   0.014%
        T QE    LYS+ 102 - QD    LYS+ 106   9.27 +/- 1.70   1.407% *  0.5190% (0.55   1.0 10.00   0.02   0.02) =   0.009%
        T QE    LYS+  99 - QD    LYS+ 106  11.07 +/- 1.38   0.790% *  0.7555% (0.81   1.0 10.00   0.02   0.02) =   0.007%
        T QE    LYS+  38 - QD    LYS+ 106  16.94 +/- 2.34   0.182% *  0.6776% (0.72   1.0 10.00   0.02   0.02) =   0.002%
          HB2   PHE   97 - QD    LYS+  99   7.43 +/- 1.00   2.308% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - QD    LYS+  99  15.25 +/- 3.71   0.583% *  0.0421% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  15.04 +/- 2.71   0.320% *  0.0339% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1188 (4.38, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.984, support = 5.34, residual support = 170.9:
    *   T HA    LYS+  99 - QE    LYS+  99   3.84 +/- 0.46  27.432% * 89.6216% (1.00 10.00   5.44 175.13) =  97.478%  kept
          HA    LEU   40 - QE    LYS+  99   8.74 +/- 7.65  20.785% *  1.9189% (0.25  1.00   1.72   8.09) =   1.581%  kept
        T HA    LYS+  99 - QE    LYS+ 102   8.55 +/- 0.70   2.710% *  7.1808% (0.68 10.00   0.23   1.59) =   0.771%  kept
          HA    LEU   40 - QE    LYS+  38   7.20 +/- 1.78   9.992% *  0.2716% (0.07  1.00   0.90   0.83) =   0.108%  kept
        T HA    LYS+  99 - QE    LYS+  38  12.15 +/- 6.55   2.436% *  0.2418% (0.27 10.00   0.02   0.02) =   0.023%
          HA    ASN   35 - QE    LYS+  38   5.36 +/- 1.76  18.361% *  0.0233% (0.26  1.00   0.02   0.02) =   0.017%
          HA    ASN   35 - QE    LYS+  99  12.49 +/- 6.58   2.513% *  0.0865% (0.97  1.00   0.02   0.02) =   0.009%
          HA    LEU  123 - QE    LYS+  99  18.84 +/- 7.43   0.815% *  0.0777% (0.87  1.00   0.02   0.02) =   0.003%
          HA    ASN   35 - QE    LYS+ 102  16.54 +/- 6.87   0.818% *  0.0590% (0.66  1.00   0.02   0.02) =   0.002%
          HA    SER   13 - QE    LYS+  99  19.90 +/- 6.60   3.632% *  0.0121% (0.14  1.00   0.02   0.02) =   0.002%
          HA    LEU  123 - QE    LYS+  38  22.47 +/- 6.65   1.164% *  0.0210% (0.23  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QE    LYS+ 102  14.49 +/- 6.27   1.269% *  0.0152% (0.17  1.00   0.02   0.02) =   0.001%
          HA    ILE   56 - QE    LYS+  99  21.09 +/- 3.31   0.206% *  0.0848% (0.95  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - QE    LYS+  99  21.52 +/- 2.98   0.173% *  0.0749% (0.84  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - QE    LYS+  99  15.72 +/- 5.87   0.922% *  0.0121% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  99  17.46 +/- 3.85   0.445% *  0.0223% (0.25  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+ 102  24.18 +/- 5.30   0.164% *  0.0530% (0.59  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+ 102  23.89 +/- 3.17   0.136% *  0.0578% (0.65  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  38  13.79 +/- 3.81   2.222% *  0.0033% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+ 102  23.07 +/- 2.41   0.139% *  0.0511% (0.57  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  99  18.98 +/- 3.86   0.421% *  0.0138% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  38  24.25 +/- 4.76   0.183% *  0.0229% (0.26  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  38  17.92 +/- 4.37   1.215% *  0.0033% (0.04  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+ 102  21.80 +/- 2.86   0.172% *  0.0152% (0.17  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  38  25.86 +/- 3.77   0.125% *  0.0202% (0.23  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  38  20.60 +/- 4.02   0.381% *  0.0060% (0.07  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+ 102  21.34 +/- 4.70   0.248% *  0.0083% (0.09  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+ 102  25.39 +/- 5.15   0.246% *  0.0083% (0.09  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  38  21.51 +/- 4.63   0.517% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+ 102  23.12 +/- 3.38   0.159% *  0.0094% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1189 (1.72, 3.01, 42.52 ppm):
    18 chemical-shift based assignments, quality = 0.549, support = 4.67, residual support = 175.1:
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.02  62.054% * 59.3807% (0.41  10.0 10.00   4.47 175.13) =  76.573%  kept
          HB3   LYS+  99 - QE    LYS+  99   3.20 +/- 0.81  29.387% * 38.3040% (1.00   1.0  1.00   5.30 175.13) =  23.392%  kept
        T QD    LYS+  99 - QE    LYS+ 102   8.22 +/- 1.15   1.225% *  0.4050% (0.28   1.0 10.00   0.02   1.59) =   0.010%
        T QD    LYS+ 106 - QE    LYS+ 102   9.27 +/- 1.70   1.009% *  0.3697% (0.26   1.0 10.00   0.02   0.02) =   0.008%
        T QD    LYS+  99 - QE    LYS+  38  11.30 +/- 6.72   1.861% *  0.1602% (0.11   1.0 10.00   0.02   0.02) =   0.006%
        T QD    LYS+ 106 - QE    LYS+  99  11.07 +/- 1.38   0.500% *  0.5421% (0.38   1.0 10.00   0.02   0.02) =   0.006%
          HB3   LYS+  99 - QE    LYS+ 102   8.03 +/- 1.22   1.500% *  0.0985% (0.68   1.0  1.00   0.02   1.59) =   0.003%
          HB3   LYS+  99 - QE    LYS+  38  12.94 +/- 6.73   0.949% *  0.0390% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - QE    LYS+  99  17.19 +/- 2.89   0.163% *  0.1416% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  16.94 +/- 2.34   0.134% *  0.1462% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  99  17.79 +/- 2.11   0.115% *  0.1104% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+ 102  16.75 +/- 2.11   0.139% *  0.0753% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  14.97 +/- 3.31   0.255% *  0.0322% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 102  19.75 +/- 2.55   0.085% *  0.0966% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  38  21.02 +/- 4.35   0.136% *  0.0298% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  38  20.04 +/- 4.12   0.106% *  0.0382% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  18.63 +/- 3.28   0.125% *  0.0219% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  15.02 +/- 2.95   0.258% *  0.0087% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1190 (1.24, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.915, support = 4.73, residual support = 177.9:
    * O T HG3   LYS+  99 - QE    LYS+  99   2.78 +/- 0.60  36.466% * 83.9577% (1.00  10.0 10.00   4.78 175.13) =  90.428%  kept
      O T HG3   LYS+  38 - QE    LYS+  38   2.80 +/- 0.45  35.306% *  8.5009% (0.10  10.0 10.00   4.39 219.76) =   8.865%  kept
          QG2   THR   39 - QE    LYS+  38   6.35 +/- 1.26   5.542% *  2.5946% (0.17   1.0  1.00   3.54  22.99) =   0.425%  kept
          QG2   THR   39 - QE    LYS+  99   9.59 +/- 6.27   2.965% *  2.2277% (0.65   1.0  1.00   0.82   0.02) =   0.195%  kept
        T HG3   LYS+  99 - QE    LYS+ 102   8.82 +/- 1.42   1.919% *  0.5726% (0.68   1.0 10.00   0.02   1.59) =   0.032%
        T HG3   LYS+  38 - QE    LYS+  99  12.50 +/- 8.54   2.135% *  0.3151% (0.38   1.0 10.00   0.02   0.02) =   0.020%
        T HG3   LYS+  99 - QE    LYS+  38  12.11 +/- 7.60   1.346% *  0.2265% (0.27   1.0 10.00   0.02   0.02) =   0.009%
        T HG3   LYS+  38 - QE    LYS+ 102  17.17 +/- 8.21   0.825% *  0.2149% (0.26   1.0 10.00   0.02   0.02) =   0.005%
          QG2   THR   39 - QE    LYS+ 102  14.74 +/- 5.17   3.191% *  0.0370% (0.44   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   71 - QE    LYS+  99  13.63 +/- 6.48   1.081% *  0.0832% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HG2   LYS+  74 - QE    LYS+  99  16.40 +/- 3.49   1.072% *  0.0838% (1.00   1.0  1.00   0.02   0.02) =   0.003%
        T HG12  ILE   89 - QE    LYS+ 102  15.78 +/- 2.35   0.356% *  0.2354% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - QE    LYS+  99  14.51 +/- 4.65   1.026% *  0.0794% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   71 - QE    LYS+  38  11.07 +/- 2.73   3.532% *  0.0224% (0.27   1.0  1.00   0.02   0.02) =   0.002%
        T HG12  ILE   89 - QE    LYS+  99  16.80 +/- 1.82   0.229% *  0.3452% (0.41   1.0 10.00   0.02   0.02) =   0.002%
        T HG12  ILE   89 - QE    LYS+  38  20.72 +/- 3.70   0.180% *  0.0931% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+ 102  20.18 +/- 3.18   0.217% *  0.0571% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  38  13.53 +/- 2.90   0.554% *  0.0214% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  38  18.03 +/- 3.60   0.471% *  0.0226% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 102  19.96 +/- 3.37   0.183% *  0.0542% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 102  19.79 +/- 4.39   0.174% *  0.0568% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  99  18.11 +/- 0.77   0.145% *  0.0543% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+ 102  17.25 +/- 1.79   0.195% *  0.0370% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  99  17.37 +/- 2.88   0.214% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  38  20.59 +/- 3.00   0.159% *  0.0147% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  99  21.99 +/- 2.41   0.077% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+ 102  19.43 +/- 2.45   0.140% *  0.0127% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+ 102  21.77 +/- 2.65   0.078% *  0.0195% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  38  19.76 +/- 3.94   0.175% *  0.0050% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  38  26.46 +/- 2.75   0.049% *  0.0077% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1193 (3.01, 3.01, 42.52 ppm):
    3 diagonal assignments:
    *     QE    LYS+  99 - QE    LYS+  99  (1.00)  kept
          QE    LYS+ 102 - QE    LYS+ 102  (0.47)  kept
          QE    LYS+  38 - QE    LYS+  38  (0.24)  kept
 
    Peak 1194 (3.81, 3.81, 57.72 ppm):
    2 diagonal assignments:
    *     HA    GLU- 100 - HA    GLU- 100  (1.00)  kept
          HA    LYS+  38 - HA    LYS+  38  (0.01)  kept
 
    Peak 1195 (2.37, 3.81, 57.72 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.4:
    * O T HB2   GLU- 100 - HA    GLU- 100   2.81 +/- 0.24  76.742% * 99.1823% (1.00  10.0 10.00   4.26  75.43) =  99.987%  kept
        T HB2   GLU- 100 - HA    LYS+  38  13.00 +/- 9.23   9.120% *  0.0599% (0.06   1.0 10.00   0.02   0.02) =   0.007%
          QG    GLU-  79 - HA    GLU- 100  19.58 +/- 5.83   2.134% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   97 - HA    GLU- 100  11.19 +/- 0.74   1.290% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLN   32 - HA    GLU- 100  12.94 +/- 5.97   2.621% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   PRO   58 - HA    GLU- 100  25.24 +/- 3.37   0.134% *  0.4447% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HA    GLU- 100  25.93 +/- 2.95   0.127% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  38  20.27 +/- 4.88   3.531% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    LYS+  38   8.94 +/- 1.06   3.330% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    LYS+  38  24.08 +/- 3.47   0.169% *  0.0269% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    LYS+  38  15.74 +/- 4.71   0.682% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    LYS+  38  26.32 +/- 3.28   0.121% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1196 (2.04, 3.81, 57.72 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.4:
    * O T HB3   GLU- 100 - HA    GLU- 100   2.60 +/- 0.24  62.591% * 99.2716% (1.00  10.0 10.00   4.26  75.43) =  99.983%  kept
        T HB3   GLU- 100 - HA    LYS+  38  12.60 +/- 9.19  13.011% *  0.0600% (0.06   1.0 10.00   0.02   0.02) =   0.013%
          HB2   GLN   30 - HA    GLU- 100  14.25 +/- 4.53   0.686% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HA    GLU- 100  15.63 +/- 5.92   2.227% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    GLU- 100  15.81 +/- 3.79   0.407% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HA    GLU- 100  18.81 +/- 5.94   0.830% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+  38  11.80 +/- 4.21  12.601% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU- 100  20.32 +/- 1.32   0.146% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 100  22.14 +/- 6.08   0.178% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU- 100  24.04 +/- 4.03   0.094% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+  38  10.60 +/- 1.77   1.242% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LYS+  38  12.06 +/- 2.12   0.998% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLU- 100  29.81 +/- 3.80   0.061% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+  38  15.45 +/- 4.17   3.585% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU- 100  23.72 +/- 1.10   0.094% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+  38  16.88 +/- 2.85   0.733% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU- 100  26.66 +/- 2.59   0.064% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LYS+  38  23.88 +/- 3.80   0.123% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LYS+  38  24.06 +/- 2.34   0.092% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LYS+  38  23.81 +/- 2.74   0.112% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    LYS+  38  28.48 +/- 5.13   0.067% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LYS+  38  27.98 +/- 2.84   0.060% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1197 (2.23, 3.81, 57.72 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.71, residual support = 75.4:
    * O T HG2   GLU- 100 - HA    GLU- 100   2.86 +/- 0.54  60.245% * 99.4988% (1.00  10.0 10.00   4.71  75.43) =  99.976%  kept
        T HG2   GLU- 100 - HA    LYS+  38  11.63 +/- 9.15  14.451% *  0.0601% (0.06   1.0 10.00   0.02   0.02) =   0.014%
          HB3   ASP-  76 - HA    GLU- 100  21.56 +/- 5.21   2.719% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.004%
          QG    GLN   17 - HA    GLU- 100  16.54 +/- 5.58   3.038% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    GLU- 100  13.58 +/- 1.11   0.770% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    GLU- 100  16.80 +/- 5.10   1.380% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    GLU- 100  14.65 +/- 1.04   0.597% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HA    GLU- 100  19.92 +/- 5.81   2.670% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HA    GLU- 100  16.93 +/- 5.45   0.535% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  13.98 +/- 4.06   9.488% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU- 100  27.33 +/- 1.67   0.088% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  12.22 +/- 1.57   1.482% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  38  18.71 +/- 3.97   0.426% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  38  21.56 +/- 3.74   0.362% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LYS+  38  17.06 +/- 3.32   0.457% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LYS+  38  14.08 +/- 1.48   0.848% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  38  26.97 +/- 4.04   0.145% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  19.27 +/- 1.90   0.298% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1198 (3.81, 2.37, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.4:
    * O T HA    GLU- 100 - HB2   GLU- 100   2.81 +/- 0.24  88.825% * 98.6741% (1.00  10.0 10.00   4.26  75.43) =  99.972%  kept
        T HA    LYS+  38 - HB2   GLU- 100  13.00 +/- 9.23  10.537% *  0.2197% (0.22   1.0 10.00   0.02   0.02) =   0.026%
        T HD2   PRO   58 - HB2   GLU- 100  26.58 +/- 2.55   0.120% *  0.9672% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   83 - HB2   GLU- 100  20.91 +/- 5.09   0.411% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLU- 100  27.90 +/- 2.94   0.106% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1199 (2.37, 2.37, 29.04 ppm):
    1 diagonal assignment:
    *     HB2   GLU- 100 - HB2   GLU- 100  (1.00)  kept
 
    Peak 1200 (2.04, 2.37, 29.04 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.4:
    * O T HB3   GLU- 100 - HB2   GLU- 100   1.75 +/- 0.00  97.465% * 99.3690% (1.00  10.0 10.00   2.00  75.43) =  99.999%  kept
          HB2   GLN   30 - HB2   GLU- 100  15.82 +/- 5.01   0.352% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB2   GLU- 100  20.00 +/- 6.43   1.165% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU- 100  17.35 +/- 4.40   0.210% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB2   GLU- 100  16.65 +/- 6.35   0.520% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB2   GLU- 100  20.65 +/- 1.79   0.068% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB2   GLU- 100  24.42 +/- 4.48   0.049% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB2   GLU- 100  22.74 +/- 6.54   0.081% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB2   GLU- 100  30.53 +/- 3.72   0.022% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   GLU- 100  24.52 +/- 0.97   0.036% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU- 100  26.99 +/- 3.09   0.031% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1201 (2.23, 2.37, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.23, residual support = 75.4:
    * O T HG2   GLU- 100 - HB2   GLU- 100   2.99 +/- 0.07  85.199% * 99.5837% (1.00  10.0 10.00   3.23  75.43) =  99.992%  kept
          HB3   ASP-  76 - HB2   GLU- 100  22.94 +/- 5.09   2.580% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLN   17 - HB2   GLU- 100  17.62 +/- 5.91   7.219% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ASP- 105 - HB2   GLU- 100  14.63 +/- 1.53   0.849% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HB2   GLU- 100  18.37 +/- 5.74   1.588% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB2   GLU- 100  14.47 +/- 1.10   0.792% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HB2   GLU- 100  17.85 +/- 5.75   0.745% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   GLU- 100  21.62 +/- 5.99   0.925% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU- 100  28.35 +/- 1.47   0.104% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1202 (3.81, 2.04, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.4:
    * O T HA    GLU- 100 - HB3   GLU- 100   2.60 +/- 0.24  82.723% * 99.5406% (1.00  10.0 10.00   4.26  75.43) =  99.954%  kept
        T HA    LYS+  38 - HB3   GLU- 100  12.60 +/- 9.19  16.822% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.045%
          HA    VAL   83 - HB3   GLU- 100  20.76 +/- 5.13   0.278% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB3   GLU- 100  26.97 +/- 2.76   0.082% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLU- 100  28.17 +/- 3.23   0.095% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1203 (2.37, 2.04, 29.04 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.4:
    * O T HB2   GLU- 100 - HB3   GLU- 100   1.75 +/- 0.00  98.386% * 99.6840% (1.00  10.0 10.00   2.00  75.43) =  99.999%  kept
          HB3   PHE   97 - HB3   GLU- 100  11.90 +/- 1.03   0.342% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU- 100  13.82 +/- 6.32   0.929% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB3   GLU- 100  20.87 +/- 5.70   0.273% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU- 100  26.77 +/- 3.14   0.032% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU- 100  26.38 +/- 3.63   0.038% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1204 (2.04, 2.04, 29.04 ppm):
    1 diagonal assignment:
    *     HB3   GLU- 100 - HB3   GLU- 100  (1.00)  kept
 
    Peak 1205 (2.23, 2.04, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.23, residual support = 75.4:
    * O T HG2   GLU- 100 - HB3   GLU- 100   2.60 +/- 0.19  92.126% * 99.0882% (1.00  10.0 10.00   3.23  75.43) =  99.987%  kept
        T QG    GLN   17 - HB3   GLU- 100  17.55 +/- 5.84   3.164% *  0.2471% (0.25   1.0 10.00   0.02   0.02) =   0.009%
        T HB    VAL   70 - HB3   GLU- 100  18.01 +/- 5.24   0.468% *  0.3058% (0.31   1.0 10.00   0.02   0.02) =   0.002%
          HB3   ASP-  76 - HB3   GLU- 100  22.87 +/- 5.19   0.993% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HB3   GLU- 100  18.12 +/- 5.83   1.299% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HB3   GLU- 100  15.16 +/- 1.47   0.518% *  0.0860% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU- 100  14.70 +/- 0.77   0.547% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLU- 100  21.46 +/- 6.13   0.810% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU- 100  28.55 +/- 1.24   0.075% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1206 (3.81, 2.23, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 4.71, residual support = 75.4:
    * O T HA    GLU- 100 - HG2   GLU- 100   2.86 +/- 0.54  80.340% * 99.5406% (1.00  10.0 10.00   4.71  75.43) =  99.947%  kept
        T HA    LYS+  38 - HG2   GLU- 100  11.63 +/- 9.15  18.975% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.053%
          HA    VAL   83 - HG2   GLU- 100  21.38 +/- 5.02   0.348% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLU- 100  26.33 +/- 3.39   0.201% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLU- 100  27.88 +/- 3.32   0.137% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1207 (2.37, 2.23, 38.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.23, residual support = 75.4:
    * O T HB2   GLU- 100 - HG2   GLU- 100   2.99 +/- 0.07  90.775% * 99.6840% (1.00  10.0 10.00   3.23  75.43) =  99.995%  kept
          QG    GLN   32 - HG2   GLU- 100  13.41 +/- 6.03   5.663% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   97 - HG2   GLU- 100  11.56 +/- 1.14   1.737% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  79 - HG2   GLU- 100  21.01 +/- 5.70   1.443% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HG2   GLU- 100  26.22 +/- 3.49   0.157% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU- 100  25.63 +/- 4.18   0.225% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1208 (2.04, 2.23, 38.95 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.23, residual support = 75.4:
    * O T HB3   GLU- 100 - HG2   GLU- 100   2.60 +/- 0.19  93.511% * 98.4783% (1.00  10.0 10.00   3.23  75.43) =  99.987%  kept
        T QB    GLU-  15 - HG2   GLU- 100  15.97 +/- 6.05   2.771% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.007%
        T HB2   GLN   17 - HG2   GLU- 100  19.48 +/- 6.10   0.967% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   PRO   68 - HG2   GLU- 100  22.05 +/- 6.24   0.344% *  0.5575% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          HB2   GLN   30 - HG2   GLU- 100  15.22 +/- 4.67   1.119% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG2   GLU- 100  16.81 +/- 4.06   0.657% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HG2   GLU- 100  21.25 +/- 1.62   0.187% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLU- 100  24.23 +/- 4.69   0.149% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLU- 100  30.46 +/- 4.24   0.077% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   GLU- 100  24.67 +/- 1.46   0.123% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU- 100  27.16 +/- 2.86   0.095% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1209 (2.23, 2.23, 38.95 ppm):
    1 diagonal assignment:
    *     HG2   GLU- 100 - HG2   GLU- 100  (1.00)  kept
 
    Peak 1210 (4.14, 4.14, 45.70 ppm):
    1 diagonal assignment:
    *     HA1   GLY  101 - HA1   GLY  101  (1.00)  kept
 
    Peak 1211 (3.52, 4.14, 45.70 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 15.4:
    * O T HA2   GLY  101 - HA1   GLY  101   1.75 +/- 0.00  99.937% * 99.9625% (1.00  10.0 10.00   2.00  15.43) = 100.000%  kept
          HA    LEU   63 - HA1   GLY  101  22.05 +/- 3.48   0.063% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1212 (4.14, 3.52, 45.70 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 15.4:
    * O T HA1   GLY  101 - HA2   GLY  101   1.75 +/- 0.00  99.116% * 99.5312% (1.00  10.0 10.00   2.00  15.43) =  99.999%  kept
          HA    ALA   34 - HA2   GLY  101  15.49 +/- 6.14   0.299% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HA2   GLY  101  15.87 +/- 5.35   0.294% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HA2   GLY  101  19.48 +/- 4.58   0.124% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HA2   GLY  101  22.48 +/- 2.11   0.051% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HA2   GLY  101  24.42 +/- 2.80   0.042% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HA2   GLY  101  28.88 +/- 3.86   0.032% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HA2   GLY  101  27.59 +/- 7.19   0.042% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1213 (3.52, 3.52, 45.70 ppm):
    1 diagonal assignment:
    *     HA2   GLY  101 - HA2   GLY  101  (1.00)  kept
 
    Peak 1214 (4.60, 4.60, 54.68 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 102 - HA    LYS+ 102  (1.00)  kept
 
    Peak 1215 (1.81, 4.60, 54.68 ppm):
    10 chemical-shift based assignments, quality = 0.992, support = 6.31, residual support = 158.5:
    * O T QB    LYS+ 102 - HA    LYS+ 102   2.40 +/- 0.11  82.067% * 90.1316% (1.00  10.0 10.00   6.31 160.09) =  98.815%  kept
          HG12  ILE  103 - HA    LYS+ 102   5.05 +/- 0.46   9.459% *  9.0375% (0.34   1.0  1.00   5.88  23.23) =   1.142%  kept
        T HB    VAL   41 - HA    LYS+ 102  12.61 +/- 6.04   7.220% *  0.4387% (0.49   1.0 10.00   0.02   0.02) =   0.042%
          HB2   LEU   71 - HA    LYS+ 102  18.66 +/- 5.02   0.271% *  0.0870% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 102  21.82 +/- 5.67   0.410% *  0.0439% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LYS+ 102  21.37 +/- 2.33   0.138% *  0.0883% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 102  21.21 +/- 3.28   0.158% *  0.0619% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 102  22.52 +/- 1.12   0.105% *  0.0832% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+ 102  24.89 +/- 4.64   0.106% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LYS+ 102  27.98 +/- 3.35   0.067% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1216 (1.45, 4.60, 54.68 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 160.1:
    * O T HG2   LYS+ 102 - HA    LYS+ 102   2.81 +/- 0.51  93.537% * 99.3298% (1.00  10.0 10.00   5.75 160.09) =  99.996%  kept
          HG    LEU   40 - HA    LYS+ 102  15.17 +/- 6.64   1.327% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - HA    LYS+ 102  17.01 +/- 4.12   1.022% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HA    LYS+ 102  21.10 +/- 4.66   0.402% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 102  20.63 +/- 4.42   0.392% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 102  18.70 +/- 2.85   0.508% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+ 102  20.89 +/- 1.98   0.317% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    LYS+ 102  22.03 +/- 3.13   0.281% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 102  20.84 +/- 4.74   0.588% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 102  18.71 +/- 1.66   0.444% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 102  19.20 +/- 3.55   0.487% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+ 102  19.35 +/- 4.02   0.437% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+ 102  21.39 +/- 2.20   0.259% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1217 (1.38, 4.60, 54.68 ppm):
    14 chemical-shift based assignments, quality = 0.992, support = 5.01, residual support = 158.3:
    * O T HG3   LYS+ 102 - HA    LYS+ 102   3.25 +/- 0.66  56.038% * 94.2863% (1.00  10.0 10.00   5.05 160.09) =  98.879%  kept
          QB    LEU   98 - HA    LYS+ 102   4.92 +/- 0.91  22.271% *  2.5350% (0.34   1.0  1.00   1.58   2.17) =   1.057%  kept
        T HG3   LYS+ 106 - HA    LYS+ 102   9.88 +/- 0.80   2.388% *  0.8919% (0.95   1.0 10.00   0.02   0.02) =   0.040%
        T HG3   LYS+  33 - HA    LYS+ 102  17.90 +/- 4.60   0.530% *  0.8919% (0.95   1.0 10.00   0.02   0.02) =   0.009%
          HG    LEU   98 - HA    LYS+ 102   5.99 +/- 1.16  14.172% *  0.0262% (0.28   1.0  1.00   0.02   2.17) =   0.007%
        T HG3   LYS+  65 - HA    LYS+ 102  24.58 +/- 2.87   0.177% *  0.9242% (0.98   1.0 10.00   0.02   0.02) =   0.003%
          HB    VAL   42 - HA    LYS+ 102  14.57 +/- 4.47   1.278% *  0.0924% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - HA    LYS+ 102  17.62 +/- 3.58   0.759% *  0.0941% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    LYS+ 102  22.73 +/- 5.29   0.668% *  0.0572% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    LYS+ 102  16.34 +/- 2.96   0.776% *  0.0354% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    LYS+ 102  25.01 +/- 1.24   0.155% *  0.0935% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 102  21.50 +/- 1.03   0.230% *  0.0388% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 102  19.88 +/- 3.42   0.322% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 102  23.10 +/- 5.54   0.236% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1218 (1.68, 4.60, 54.68 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 160.1:
    *   T QD    LYS+ 102 - HA    LYS+ 102   3.05 +/- 0.83  79.159% * 98.2489% (1.00 10.00   5.05 160.09) =  99.985%  kept
          QD    LYS+  38 - HA    LYS+ 102  15.57 +/- 6.67   2.703% *  0.0787% (0.80  1.00   0.02   0.02) =   0.003%
        T HD2   LYS+ 111 - HA    LYS+ 102  23.86 +/- 2.16   0.273% *  0.6749% (0.69 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HA    LYS+ 102  22.81 +/- 1.96   0.327% *  0.5562% (0.57 10.00   0.02   0.02) =   0.002%
          QD    LYS+  99 - HA    LYS+ 102   7.68 +/- 0.91   6.886% *  0.0219% (0.22  1.00   0.02   1.59) =   0.002%
          QD    LYS+ 106 - HA    LYS+ 102   9.31 +/- 1.38   5.259% *  0.0245% (0.25  1.00   0.02   0.02) =   0.002%
          HB    VAL   83 - HA    LYS+ 102  18.19 +/- 4.89   1.624% *  0.0636% (0.65  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HA    LYS+ 102  18.18 +/- 3.61   1.984% *  0.0404% (0.41  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+ 102  19.83 +/- 6.78   0.932% *  0.0517% (0.53  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HA    LYS+ 102  24.82 +/- 5.09   0.315% *  0.0907% (0.92  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 102  23.27 +/- 1.05   0.263% *  0.0929% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 102  23.10 +/- 1.24   0.275% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1219 (3.02, 4.60, 54.68 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 5.04, residual support = 159.9:
    *   T QE    LYS+ 102 - HA    LYS+ 102   3.41 +/- 0.48  86.030% * 98.4155% (1.00 10.00   5.05 160.09) =  99.881%  kept
        T QE    LYS+  99 - HA    LYS+ 102   8.34 +/- 1.47  11.366% *  0.6760% (0.69 10.00   0.02   1.59) =   0.091%
        T QE    LYS+  38 - HA    LYS+ 102  15.10 +/- 6.71   2.603% *  0.9085% (0.92 10.00   0.02   0.02) =   0.028%
    Distance limit 3.61 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1220 (4.60, 1.81, 34.65 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 160.0:
    * O T HA    LYS+ 102 - QB    LYS+ 102   2.40 +/- 0.11  82.789% * 99.1785% (1.00  10.0 10.00   6.31 160.09) =  99.956%  kept
        T HA    LYS+ 102 - HB    VAL   41  12.61 +/- 6.04   7.307% *  0.4456% (0.45   1.0 10.00   0.02   0.02) =   0.040%
          HA    CYS   21 - HB    VAL   41  12.56 +/- 4.03   5.014% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   21 - QB    LYS+ 102  19.37 +/- 4.09   1.059% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   20 - HB    VAL   41  11.60 +/- 3.38   1.990% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QB    LYS+ 102  26.19 +/- 5.03   0.227% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL   41  22.55 +/- 3.99   0.427% *  0.0288% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QB    LYS+ 102  19.02 +/- 3.80   0.491% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    LYS+ 102  18.98 +/- 1.15   0.179% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QB    LYS+ 102  24.45 +/- 3.92   0.145% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL   41  20.55 +/- 3.28   0.219% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB    VAL   41  20.37 +/- 2.14   0.153% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1221 (1.81, 1.81, 34.65 ppm):
    2 diagonal assignments:
    *     QB    LYS+ 102 - QB    LYS+ 102  (1.00)  kept
          HB    VAL   41 - HB    VAL   41  (0.22)  kept
 
    Peak 1222 (1.45, 1.81, 34.65 ppm):
    26 chemical-shift based assignments, quality = 0.995, support = 5.3, residual support = 159.0:
    * O T HG2   LYS+ 102 - QB    LYS+ 102   2.43 +/- 0.12  68.141% * 89.3453% (1.00  10.0 10.00   5.31 160.09) =  99.283%  kept
          HG    LEU   40 - HB    VAL   41   6.62 +/- 0.95   4.377% *  6.6498% (0.36   1.0  1.00   4.14  20.92) =   0.475%  kept
          HG    LEU   73 - HB    VAL   41   7.90 +/- 3.33  13.188% *  0.9898% (0.44   1.0  1.00   0.50   0.02) =   0.213%  kept
        T HG2   LYS+ 102 - HB    VAL   41  14.35 +/- 6.31   1.891% *  0.4015% (0.45   1.0 10.00   0.02   0.02) =   0.012%
        T HG    LEU   67 - HB    VAL   41  11.88 +/- 2.45   0.972% *  0.2758% (0.31   1.0 10.00   0.02   0.02) =   0.004%
        T HG    LEU   67 - QB    LYS+ 102  19.34 +/- 4.42   0.304% *  0.6137% (0.69   1.0 10.00   0.02   0.02) =   0.003%
        T QG    LYS+  66 - HB    VAL   41  14.47 +/- 1.85   0.391% *  0.3482% (0.39   1.0 10.00   0.02   0.02) =   0.002%
        T QG    LYS+  66 - QB    LYS+ 102  19.97 +/- 3.02   0.166% *  0.7750% (0.87   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   73 - QB    LYS+ 102  16.27 +/- 3.63   0.836% *  0.0876% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QB    LYS+ 102  13.98 +/- 6.23   0.899% *  0.0715% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HB    VAL   41  11.09 +/- 2.25   1.164% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - HB    VAL   41  10.20 +/- 3.69   3.067% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HB    VAL   41  11.80 +/- 2.29   1.106% *  0.0211% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QB    LYS+ 102  17.16 +/- 2.63   0.341% *  0.0470% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QB    LYS+ 102  18.98 +/- 4.23   0.256% *  0.0614% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+ 102  18.82 +/- 2.21   0.165% *  0.0715% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB    VAL   41  17.29 +/- 2.54   0.244% *  0.0321% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB    VAL   41  16.07 +/- 5.19   0.532% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QB    LYS+ 102  17.00 +/- 4.19   0.316% *  0.0223% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+ 102  16.96 +/- 1.54   0.233% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+ 102  19.97 +/- 4.44   0.207% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+ 102  18.08 +/- 3.30   0.242% *  0.0223% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QB    LYS+ 102  19.31 +/- 2.48   0.164% *  0.0223% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    VAL   41  16.94 +/- 2.08   0.246% *  0.0124% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB    VAL   41  17.09 +/- 3.14   0.285% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    VAL   41  17.26 +/- 2.81   0.267% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1223 (1.38, 1.81, 34.65 ppm):
    28 chemical-shift based assignments, quality = 0.943, support = 4.62, residual support = 149.0:
    * O T HG3   LYS+ 102 - QB    LYS+ 102   2.28 +/- 0.15  46.331% * 59.0335% (1.00  10.0 10.00   4.75 160.09) =  91.936%  kept
        T QB    LEU   98 - HB    VAL   41   7.24 +/- 4.82  12.964% *  9.0481% (0.15   1.0 10.00   2.74  20.04) =   3.943%  kept
        T HB    VAL   42 - HB    VAL   41   5.39 +/- 0.49   3.908% * 26.0002% (0.44   1.0 10.00   4.14  29.45) =   3.415%  kept
          QB    LEU   98 - QB    LYS+ 102   5.50 +/- 1.39  12.863% *  1.5104% (0.34   1.0  1.00   1.50   2.17) =   0.653%  kept
        T HG3   LYS+ 106 - QB    LYS+ 102   9.29 +/- 0.91   0.847% *  0.5584% (0.95   1.0 10.00   0.02   0.02) =   0.016%
        T HG3   LYS+  33 - HB    VAL   41   9.66 +/- 1.89   0.921% *  0.2509% (0.43   1.0 10.00   0.02   0.02) =   0.008%
        T HB    VAL   42 - QB    LYS+ 102  13.77 +/- 4.10   0.290% *  0.5786% (0.98   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 106 - HB    VAL   41  12.09 +/- 3.67   0.461% *  0.2509% (0.43   1.0 10.00   0.02   0.02) =   0.004%
          HG    LEU   98 - QB    LYS+ 102   6.40 +/- 1.63   5.981% *  0.0164% (0.28   1.0  1.00   0.02   2.17) =   0.003%
        T HG3   LYS+ 102 - HB    VAL   41  14.96 +/- 6.47   0.358% *  0.2653% (0.45   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  33 - QB    LYS+ 102  17.04 +/- 4.06   0.149% *  0.5584% (0.95   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   98 - HB    VAL   41   8.53 +/- 5.52   9.027% *  0.0074% (0.12   1.0  1.00   0.02  20.04) =   0.002%
          HB3   LEU   73 - HB    VAL   41   8.75 +/- 3.01   2.021% *  0.0265% (0.45   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - HB    VAL   41  15.53 +/- 2.23   0.193% *  0.2600% (0.44   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LYS+ 112 - QB    LYS+ 102  22.46 +/- 1.26   0.053% *  0.5851% (0.99   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - QB    LYS+ 102  22.47 +/- 2.90   0.052% *  0.5786% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 112 - HB    VAL   41  21.32 +/- 2.47   0.072% *  0.2629% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QB    LYS+ 102  16.81 +/- 3.22   0.254% *  0.0589% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HB    VAL   41  13.85 +/- 2.98   0.987% *  0.0100% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 102  20.94 +/- 5.07   0.187% *  0.0358% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+ 102  15.62 +/- 2.68   0.227% *  0.0222% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB    VAL   41  11.45 +/- 2.87   1.055% *  0.0041% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB    VAL   41  17.75 +/- 2.90   0.143% *  0.0161% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB    VAL   41  16.53 +/- 2.31   0.187% *  0.0109% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 102  19.83 +/- 1.21   0.075% *  0.0243% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 102  18.74 +/- 3.25   0.183% *  0.0091% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QB    LYS+ 102  20.32 +/- 5.63   0.116% *  0.0117% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB    VAL   41  20.14 +/- 4.16   0.098% *  0.0052% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1224 (1.68, 1.81, 34.65 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 160.0:
    * O T QD    LYS+ 102 - QB    LYS+ 102   2.33 +/- 0.25  68.418% * 94.6216% (1.00  10.0 10.00   4.75 160.09) =  99.955%  kept
        T QD    LYS+ 102 - HB    VAL   41  13.52 +/- 5.36   2.333% *  0.4252% (0.45   1.0 10.00   0.02   0.02) =   0.015%
        T QD    LYS+  38 - QB    LYS+ 102  14.09 +/- 6.36   0.856% *  0.7577% (0.80   1.0 10.00   0.02   0.02) =   0.010%
        T QD    LYS+  38 - HB    VAL   41  10.81 +/- 1.52   0.886% *  0.3404% (0.36   1.0 10.00   0.02   0.02) =   0.005%
          QD    LYS+  99 - QB    LYS+ 102   6.35 +/- 1.38   6.716% *  0.0211% (0.22   1.0  1.00   0.02   1.59) =   0.002%
        T HG3   PRO   93 - HB    VAL   41  18.46 +/- 2.87   0.307% *  0.4022% (0.43   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+  99 - HB    VAL   41  10.55 +/- 5.67  10.142% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   PRO   93 - QB    LYS+ 102  21.41 +/- 1.17   0.094% *  0.8951% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HB    VAL   41  15.00 +/- 2.28   0.344% *  0.2407% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HB    VAL   41   9.26 +/- 3.13   4.528% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - QB    LYS+ 102  21.35 +/- 1.98   0.100% *  0.6500% (0.69   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QB    LYS+ 102  20.81 +/- 2.08   0.106% *  0.5357% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LEU  123 - HB    VAL   41  21.05 +/- 4.06   0.137% *  0.3925% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QB    LYS+ 102   8.79 +/- 1.12   1.546% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HB    VAL   41  22.52 +/- 2.41   0.095% *  0.2920% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 102  17.27 +/- 3.34   0.492% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+ 102  17.64 +/- 4.44   0.300% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+ 102  17.49 +/- 6.73   0.364% *  0.0498% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB    VAL   41  15.14 +/- 4.40   0.598% *  0.0275% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+ 102  21.88 +/- 5.27   0.124% *  0.0873% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB    VAL   41  11.87 +/- 2.96   0.845% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB    VAL   41  16.80 +/- 4.71   0.326% *  0.0224% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    VAL   41  18.23 +/- 2.33   0.251% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 102  21.43 +/- 1.42   0.094% *  0.0536% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1225 (3.02, 1.81, 34.65 ppm):
    6 chemical-shift based assignments, quality = 0.985, support = 4.67, residual support = 156.9:
    *   T QE    LYS+ 102 - QB    LYS+ 102   2.57 +/- 0.50  69.627% * 84.5213% (1.00 10.00   4.75 160.09) =  98.012%  kept
        T QE    LYS+  99 - HB    VAL   41  10.12 +/- 5.75   9.923% * 10.5280% (0.31 10.00   0.81   0.02) =   1.740%  kept
        T QE    LYS+  38 - HB    VAL   41  10.31 +/- 1.77   1.811% *  3.2101% (0.41 10.00   0.18   0.02) =   0.097%
        T QE    LYS+ 102 - HB    VAL   41  13.86 +/- 5.56  10.395% *  0.3798% (0.45 10.00   0.02   0.02) =   0.066%
        T QE    LYS+  99 - QB    LYS+ 102   7.09 +/- 1.53   6.409% *  0.5806% (0.69 10.00   0.02   1.59) =   0.062%
        T QE    LYS+  38 - QB    LYS+ 102  13.70 +/- 6.35   1.836% *  0.7802% (0.92 10.00   0.02   0.02) =   0.024%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1226 (4.60, 1.45, 25.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 160.1:
    * O T HA    LYS+ 102 - HG2   LYS+ 102   2.81 +/- 0.51  98.011% * 99.7392% (1.00  10.0 10.00   5.75 160.09) =  99.999%  kept
          HA    CYS   21 - HG2   LYS+ 102  21.96 +/- 4.53   0.815% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - HG2   LYS+ 102  30.23 +/- 5.60   0.250% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG2   LYS+ 102  22.62 +/- 1.34   0.248% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG2   LYS+ 102  21.71 +/- 3.92   0.503% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG2   LYS+ 102  28.44 +/- 4.41   0.173% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1227 (1.81, 1.45, 25.01 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 5.31, residual support = 159.6:
    * O T QB    LYS+ 102 - HG2   LYS+ 102   2.43 +/- 0.12  91.889% * 91.7013% (1.00  10.0 10.00   5.31 160.09) =  99.621%  kept
          HG12  ILE  103 - HG2   LYS+ 102   7.32 +/- 0.94   4.472% *  6.8865% (0.34   1.0  1.00   4.40  23.23) =   0.364%  kept
        T HB    VAL   41 - HG2   LYS+ 102  14.35 +/- 6.31   2.502% *  0.4464% (0.49   1.0 10.00   0.02   0.02) =   0.013%
        T QB    LYS+  66 - HG2   LYS+ 102  22.48 +/- 3.79   0.170% *  0.6299% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HG2   LYS+ 102  20.08 +/- 5.58   0.272% *  0.0885% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 102  22.97 +/- 5.72   0.303% *  0.0446% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG2   LYS+ 102  22.77 +/- 2.80   0.140% *  0.0899% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+ 102  24.44 +/- 1.23   0.095% *  0.0847% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 102  26.36 +/- 4.57   0.096% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG2   LYS+ 102  29.82 +/- 3.29   0.061% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1228 (1.45, 1.45, 25.01 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 102 - HG2   LYS+ 102  (1.00)  kept
 
    Peak 1229 (1.38, 1.45, 25.01 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 160.1:
    * O T HG3   LYS+ 102 - HG2   LYS+ 102   1.75 +/- 0.00  94.281% * 96.7067% (1.00  10.0 10.00   4.42 160.09) =  99.993%  kept
        T HG3   LYS+ 106 - HG2   LYS+ 102  11.74 +/- 0.87   0.334% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  33 - HG2   LYS+ 102  19.04 +/- 4.93   0.105% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HG2   LYS+ 102   6.75 +/- 1.22   2.877% *  0.0330% (0.34   1.0  1.00   0.02   2.17) =   0.001%
          HG    LEU   98 - HG2   LYS+ 102   7.82 +/- 1.42   1.630% *  0.0269% (0.28   1.0  1.00   0.02   2.17) =   0.000%
        T HG3   LYS+  65 - HG2   LYS+ 102  26.13 +/- 3.47   0.034% *  0.9479% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HG2   LYS+ 102  16.35 +/- 4.82   0.198% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 102  19.41 +/- 3.53   0.121% *  0.0965% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 102  23.43 +/- 5.61   0.107% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 102  17.86 +/- 3.04   0.118% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG2   LYS+ 102  26.74 +/- 1.52   0.028% *  0.0959% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+ 102  23.44 +/- 1.04   0.040% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG2   LYS+ 102  21.60 +/- 3.17   0.072% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 102  24.07 +/- 5.57   0.055% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1230 (1.68, 1.45, 25.01 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 160.1:
    * O T QD    LYS+ 102 - HG2   LYS+ 102   2.29 +/- 0.16  93.446% * 98.2489% (1.00  10.0 10.00   4.42 160.09) =  99.996%  kept
          QD    LYS+  38 - HG2   LYS+ 102  15.90 +/- 7.56   0.924% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HG2   LYS+ 102   8.04 +/- 1.57   3.115% *  0.0219% (0.22   1.0  1.00   0.02   1.59) =   0.001%
        T QD    LYS+  65 - HG2   LYS+ 102  24.18 +/- 2.41   0.099% *  0.5562% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HG2   LYS+ 102  25.40 +/- 2.34   0.075% *  0.6749% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HG2   LYS+ 102  10.93 +/- 1.68   1.175% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 102  19.87 +/- 5.11   0.282% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 102  19.91 +/- 3.65   0.411% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 102  21.24 +/- 6.36   0.234% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 102  26.18 +/- 5.04   0.089% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 102  25.19 +/- 1.06   0.073% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 102  25.04 +/- 1.26   0.076% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1231 (3.02, 1.45, 25.01 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 4.42, residual support = 159.9:
    * O T QE    LYS+ 102 - HG2   LYS+ 102   3.00 +/- 0.53  89.482% * 98.4155% (1.00  10.0 10.00   4.42 160.09) =  99.913%  kept
        T QE    LYS+  99 - HG2   LYS+ 102   8.67 +/- 1.84   8.224% *  0.6760% (0.69   1.0 10.00   0.02   1.59) =   0.063%
        T QE    LYS+  38 - HG2   LYS+ 102  15.46 +/- 7.64   2.294% *  0.9085% (0.92   1.0 10.00   0.02   0.02) =   0.024%
    Distance limit 4.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1232 (4.60, 1.38, 25.01 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 160.0:
    * O T HA    LYS+ 102 - HG3   LYS+ 102   3.25 +/- 0.66  69.294% * 97.9004% (1.00  10.0 10.00   5.05 160.09) =  99.972%  kept
        T HA    LYS+ 102 - HG3   LYS+ 106   9.88 +/- 0.80   3.061% *  0.1784% (0.18   1.0 10.00   0.02   0.02) =   0.008%
        T HA    LYS+ 102 - HG3   LYS+  33  17.90 +/- 4.60   0.698% *  0.4863% (0.50   1.0 10.00   0.02   0.02) =   0.005%
        T HA    LYS+ 102 - HG3   LYS+  65  24.58 +/- 2.87   0.238% *  0.7967% (0.81   1.0 10.00   0.02   0.02) =   0.003%
          HA    TRP   49 - HG3   LYS+  65  18.64 +/- 6.20   3.576% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          HA    CYS   21 - HG3   LYS+ 102  22.58 +/- 4.83   1.705% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   21 - HG3   LYS+  33  10.81 +/- 1.81   2.711% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   21 - HG3   LYS+  65  14.36 +/- 2.79   1.625% *  0.0665% (0.68   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   50 - HG3   LYS+  65  16.43 +/- 4.82   2.131% *  0.0357% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   20 - HG3   LYS+  65  11.60 +/- 2.70   4.491% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - HG3   LYS+ 102  30.32 +/- 5.75   0.384% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  33  11.48 +/- 1.44   1.949% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 106  11.87 +/- 0.52   1.781% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 102  22.29 +/- 4.32   0.760% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  65  21.80 +/- 3.79   0.365% *  0.0388% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 102  22.45 +/- 1.46   0.282% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 106  21.38 +/- 4.22   1.091% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 106  18.83 +/- 3.79   1.475% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 102  28.54 +/- 4.42   0.235% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  33  26.56 +/- 3.89   0.445% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  33  28.02 +/- 4.48   0.282% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 106  19.19 +/- 3.17   0.547% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  33  28.42 +/- 2.67   0.153% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 106  17.99 +/- 3.58   0.721% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1233 (1.81, 1.38, 25.01 ppm):
    40 chemical-shift based assignments, quality = 0.911, support = 5.17, residual support = 157.7:
    * O T QB    LYS+ 102 - HG3   LYS+ 102   2.28 +/- 0.15  40.198% * 49.4697% (1.00  10.0 10.00   4.75 160.09) =  58.305%  kept
      O   QB    LYS+  65 - HG3   LYS+  65   2.40 +/- 0.14  34.571% * 39.4609% (0.80  10.0  1.00   5.83 159.74) =  39.999%  kept
          QB    LYS+  66 - HG3   LYS+  65   5.28 +/- 1.39   8.834% *  5.9659% (0.56   1.0  1.00   4.31  30.70) =   1.545%  kept
          HG12  ILE  103 - HG3   LYS+ 102   7.57 +/- 0.91   1.393% *  3.2702% (0.34   1.0  1.00   3.88  23.23) =   0.134%  kept
        T HB    VAL   41 - HG3   LYS+ 102  14.96 +/- 6.47   0.582% *  0.2408% (0.49   1.0 10.00   0.02   0.02) =   0.004%
        T HB    VAL   41 - HG3   LYS+  33   9.66 +/- 1.89   0.765% *  0.1196% (0.24   1.0 10.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - HG3   LYS+  33   9.56 +/- 3.76   2.607% *  0.0237% (0.48   1.0  1.00   0.02   0.02) =   0.002%
        T QB    LYS+ 102 - HG3   LYS+ 106   9.29 +/- 0.91   0.681% *  0.0901% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLN   17 - HG3   LYS+  65  13.12 +/- 6.03   2.055% *  0.0196% (0.40   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG3   LYS+  65  15.53 +/- 2.23   0.161% *  0.1960% (0.40   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - HG3   LYS+  33  17.04 +/- 4.06   0.128% *  0.2457% (0.50   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG3   LYS+ 106  12.09 +/- 3.67   0.477% *  0.0439% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - HG3   LYS+  65  22.47 +/- 2.90   0.049% *  0.4026% (0.81   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HG3   LYS+  65  12.83 +/- 2.36   0.385% *  0.0389% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 106   5.55 +/- 1.34   3.886% *  0.0031% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  33  12.20 +/- 3.07   0.594% *  0.0120% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  65  17.97 +/- 3.88   0.151% *  0.0372% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 102  20.65 +/- 5.47   0.083% *  0.0477% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 102  23.69 +/- 5.90   0.126% *  0.0241% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  33  17.05 +/- 3.08   0.168% *  0.0169% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+  33  16.80 +/- 2.12   0.116% *  0.0241% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 102  23.02 +/- 2.77   0.044% *  0.0485% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 106  21.18 +/- 5.12   0.434% *  0.0044% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 106  13.31 +/- 1.27   0.222% *  0.0083% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 102  22.76 +/- 3.67   0.053% *  0.0340% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 102  24.46 +/- 1.24   0.034% *  0.0457% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 106  16.83 +/- 2.66   0.149% *  0.0088% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  33  17.20 +/- 3.48   0.126% *  0.0084% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 106  17.12 +/- 3.22   0.165% *  0.0062% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  33  25.72 +/- 3.96   0.042% *  0.0227% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 106  17.85 +/- 2.89   0.110% *  0.0087% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  16.22 +/- 2.64   0.146% *  0.0062% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  65  21.00 +/- 2.92   0.064% *  0.0137% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  18.85 +/- 2.96   0.094% *  0.0062% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  26.49 +/- 4.92   0.036% *  0.0076% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  29.79 +/- 3.42   0.021% *  0.0076% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  19.05 +/- 3.97   0.100% *  0.0014% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  25.97 +/- 4.17   0.036% *  0.0038% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  19.53 +/- 3.25   0.088% *  0.0014% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  29.51 +/- 3.68   0.025% *  0.0038% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1234 (1.45, 1.38, 25.01 ppm):
    52 chemical-shift based assignments, quality = 0.997, support = 4.42, residual support = 158.8:
    * O T HG2   LYS+ 102 - HG3   LYS+ 102   1.75 +/- 0.00  75.118% * 85.1010% (1.00  10.0 10.00   4.42 160.09) =  99.008%  kept
          QG    LYS+  66 - HG3   LYS+  65   5.83 +/- 1.39   5.165% * 12.2575% (0.71   1.0  1.00   4.08  30.70) =   0.981%  kept
          QB    ALA   61 - HG3   LYS+  65   5.55 +/- 1.78   8.460% *  0.0364% (0.43   1.0  1.00   0.02   0.02) =   0.005%
          HG    LEU   67 - HG3   LYS+  65   8.18 +/- 1.41   1.036% *  0.0476% (0.56   1.0  1.00   0.02   0.37) =   0.001%
          HB3   LEU   67 - HG3   LYS+  65   7.93 +/- 0.90   0.912% *  0.0476% (0.56   1.0  1.00   0.02   0.37) =   0.001%
        T HG2   LYS+ 102 - HG3   LYS+ 106  11.74 +/- 0.87   0.266% *  0.1551% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   73 - HG3   LYS+  33  10.06 +/- 3.52   0.920% *  0.0414% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 102 - HG3   LYS+  33  19.04 +/- 4.93   0.084% *  0.4227% (0.50   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 102 - HG3   LYS+  65  26.13 +/- 3.47   0.027% *  0.6925% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  33  12.20 +/- 2.47   0.551% *  0.0339% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  33   7.57 +/- 2.17   1.642% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  65  12.75 +/- 1.56   0.222% *  0.0679% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 102  16.98 +/- 7.21   0.166% *  0.0681% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 102  19.28 +/- 4.38   0.134% *  0.0834% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  65  14.23 +/- 1.64   0.166% *  0.0555% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  65  15.60 +/- 2.08   0.134% *  0.0555% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  65  16.93 +/- 3.11   0.330% *  0.0214% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+  33  17.59 +/- 3.28   0.164% *  0.0367% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  33  14.84 +/- 2.95   0.196% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  33  15.73 +/- 3.35   0.170% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  65  13.71 +/- 3.26   0.267% *  0.0173% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  65  15.36 +/- 2.21   0.209% *  0.0173% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 106  12.45 +/- 2.62   0.276% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 102  22.86 +/- 5.12   0.057% *  0.0585% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 102  20.38 +/- 3.13   0.071% *  0.0448% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 106  14.64 +/- 2.97   0.209% *  0.0152% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 102  22.45 +/- 4.93   0.054% *  0.0585% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+  33  15.67 +/- 2.08   0.134% *  0.0222% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 106  13.85 +/- 4.20   0.234% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 102  23.54 +/- 3.46   0.038% *  0.0738% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  65  14.67 +/- 1.74   0.153% *  0.0173% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 102  22.62 +/- 1.99   0.037% *  0.0681% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 106  13.92 +/- 2.78   0.280% *  0.0082% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  65  18.89 +/- 4.09   0.093% *  0.0236% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 106  17.51 +/- 4.26   0.197% *  0.0107% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 102  22.74 +/- 5.02   0.065% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 106  17.34 +/- 3.96   0.167% *  0.0107% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 106  11.05 +/- 1.36   0.361% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  33  18.74 +/- 5.89   0.115% *  0.0144% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 106  17.99 +/- 3.15   0.112% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 102  20.01 +/- 1.86   0.056% *  0.0263% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 102  20.54 +/- 4.32   0.066% *  0.0212% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 102  21.27 +/- 3.87   0.057% *  0.0212% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  33  24.87 +/- 2.81   0.032% *  0.0339% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 106  13.09 +/- 2.83   0.240% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 106  14.23 +/- 3.29   0.201% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 102  23.17 +/- 2.41   0.036% *  0.0212% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  33  22.24 +/- 3.56   0.057% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  33  23.55 +/- 3.01   0.046% *  0.0130% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 106  18.05 +/- 3.62   0.103% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  33  24.56 +/- 3.06   0.037% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 106  18.89 +/- 2.81   0.078% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1235 (1.38, 1.38, 25.01 ppm):
    4 diagonal assignments:
    *     HG3   LYS+ 102 - HG3   LYS+ 102  (1.00)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.80)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.47)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.17)  kept
 
    Peak 1236 (1.68, 1.38, 25.01 ppm):
    48 chemical-shift based assignments, quality = 0.805, support = 4.09, residual support = 159.1:
    * O T QD    LYS+ 102 - HG3   LYS+ 102   2.40 +/- 0.13  29.470% * 63.6907% (1.00  10.0 10.00   4.00 160.09) =  66.605%  kept
      O T QD    LYS+  65 - HG3   LYS+  65   2.42 +/- 0.14  28.671% * 29.3443% (0.46  10.0 10.00   4.23 159.74) =  29.855%  kept
      O   QD    LYS+ 106 - HG3   LYS+ 106   2.28 +/- 0.13  34.320% *  2.8935% (0.05  10.0  1.00   4.62 135.48) =   3.524%  kept
        T HB2   LEU   73 - HG3   LYS+  65  11.70 +/- 2.13   0.329% *  0.2131% (0.33   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LEU   73 - HG3   LYS+  33  10.97 +/- 2.92   0.493% *  0.1301% (0.20   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG3   LYS+ 106  10.04 +/- 1.19   0.469% *  0.1160% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG3   LYS+  33  18.10 +/- 4.11   0.093% *  0.3164% (0.50   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LEU   73 - HG3   LYS+ 102  20.41 +/- 3.91   0.112% *  0.2618% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG3   LYS+  65  23.80 +/- 2.97   0.035% *  0.5183% (0.81   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HG3   LYS+  65  22.30 +/- 3.19   0.050% *  0.3560% (0.56   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+  33  17.73 +/- 2.73   0.087% *  0.1791% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HG3   LYS+ 102   8.37 +/- 1.70   1.039% *  0.0142% (0.22   1.0  1.00   0.02   1.59) =   0.001%
        T HD2   LYS+ 111 - HG3   LYS+ 106  14.86 +/- 2.32   0.176% *  0.0797% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 102  25.21 +/- 2.30   0.028% *  0.4375% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 102  16.51 +/- 7.53   0.229% *  0.0510% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  33  10.12 +/- 1.22   0.436% *  0.0253% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 102  24.41 +/- 2.41   0.030% *  0.3606% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 106  15.52 +/- 2.66   0.152% *  0.0477% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  65  17.55 +/- 3.82   0.144% *  0.0490% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  65  18.20 +/- 4.77   0.234% *  0.0293% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 102  10.98 +/- 1.70   0.402% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 106  18.32 +/- 2.46   0.087% *  0.0657% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  65  19.39 +/- 3.46   0.129% *  0.0415% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 102  20.13 +/- 5.02   0.126% *  0.0412% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  65  17.43 +/- 2.69   0.097% *  0.0478% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  33  30.80 +/- 3.01   0.016% *  0.2173% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  65  16.83 +/- 2.37   0.122% *  0.0273% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 102  21.36 +/- 6.91   0.081% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  65  19.86 +/- 3.42   0.074% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  33  14.48 +/- 4.54   0.322% *  0.0070% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 106  14.37 +/- 5.95   0.350% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  33  18.81 +/- 4.85   0.098% *  0.0205% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 102  26.31 +/- 5.44   0.031% *  0.0588% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 106  14.17 +/- 1.27   0.153% *  0.0110% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 102  25.24 +/- 1.32   0.026% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  65  18.39 +/- 3.03   0.111% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 106  15.29 +/- 3.35   0.185% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  33  25.65 +/- 4.36   0.042% *  0.0299% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 102  25.10 +/- 1.61   0.027% *  0.0361% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  33  26.30 +/- 4.75   0.033% *  0.0292% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 106  10.79 +/- 1.17   0.370% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 106  14.55 +/- 1.13   0.136% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  65  19.02 +/- 3.95   0.076% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 106  19.43 +/- 4.13   0.077% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  33  23.01 +/- 4.23   0.044% *  0.0166% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 106  18.53 +/- 3.02   0.079% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  33  25.30 +/- 3.73   0.039% *  0.0179% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  33  18.74 +/- 2.10   0.067% *  0.0079% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1237 (3.02, 1.38, 25.01 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 4.0, residual support = 160.0:
    * O T QE    LYS+ 102 - HG3   LYS+ 102   2.42 +/- 0.39  88.239% * 94.7812% (1.00  10.0 10.00   4.00 160.09) =  99.935%  kept
        T QE    LYS+  99 - HG3   LYS+ 102   9.07 +/- 1.87   2.745% *  0.6511% (0.69   1.0 10.00   0.02   1.59) =   0.021%
        T QE    LYS+  38 - HG3   LYS+  33   9.83 +/- 1.65   2.758% *  0.4346% (0.46   1.0 10.00   0.02   0.02) =   0.014%
        T QE    LYS+  38 - HG3   LYS+ 102  16.05 +/- 7.64   1.015% *  0.8749% (0.92   1.0 10.00   0.02   0.02) =   0.011%
        T QE    LYS+ 102 - HG3   LYS+  33  18.36 +/- 4.58   0.566% *  0.4708% (0.50   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+ 102 - HG3   LYS+ 106  10.14 +/- 1.53   1.509% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  99 - HG3   LYS+  33  14.04 +/- 4.43   0.805% *  0.3234% (0.34   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  38 - HG3   LYS+  65  19.00 +/- 3.54   0.359% *  0.7120% (0.75   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  99 - HG3   LYS+  65  18.49 +/- 4.41   0.330% *  0.5298% (0.56   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  99 - HG3   LYS+ 106  11.31 +/- 1.09   1.184% *  0.1186% (0.13   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+ 102 - HG3   LYS+  65  24.02 +/- 2.59   0.179% *  0.7713% (0.81   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  38 - HG3   LYS+ 106  18.02 +/- 2.95   0.311% *  0.1594% (0.17   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1238 (4.60, 1.68, 29.29 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 160.0:
    *   T HA    LYS+ 102 - QD    LYS+ 102   3.05 +/- 0.83  65.585% * 98.9625% (1.00 10.00   5.05 160.09) =  99.954%  kept
          HA1   GLY  109 - HD2   LYS+ 111   6.74 +/- 2.24  16.748% *  0.1493% (0.13  1.00   0.24   0.02) =   0.039%
          HA    CYS   21 - QD    LYS+ 102  20.42 +/- 3.97   1.493% *  0.0827% (0.84  1.00   0.02   0.02) =   0.002%
        T HA    LYS+ 102 - QD    LYS+  65  22.81 +/- 1.96   0.241% *  0.2501% (0.25 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 102 - HD2   LYS+ 111  23.86 +/- 2.16   0.220% *  0.2587% (0.26 10.00   0.02   0.02) =   0.001%
          HA    TRP   49 - QD    LYS+  65  16.58 +/- 5.92   3.338% *  0.0162% (0.16  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - QD    LYS+  65  13.52 +/- 2.49   1.664% *  0.0209% (0.21  1.00   0.02   0.02) =   0.001%
          HA    CYS   50 - QD    LYS+  65  14.63 +/- 4.57   2.645% *  0.0112% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+  65  11.08 +/- 2.54   3.985% *  0.0050% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+ 102  20.09 +/- 3.65   0.911% *  0.0196% (0.20  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+ 102  19.52 +/- 1.80   0.352% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HD2   LYS+ 111  15.50 +/- 3.64   1.064% *  0.0116% (0.12  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+ 102  26.70 +/- 5.73   0.185% *  0.0640% (0.65  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+  65  19.75 +/- 3.90   0.652% *  0.0122% (0.12  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+ 102  25.11 +/- 4.48   0.177% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   LYS+ 111  18.69 +/- 3.76   0.458% *  0.0167% (0.17  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HD2   LYS+ 111  27.85 +/- 3.00   0.129% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HD2   LYS+ 111  25.73 +/- 3.17   0.152% *  0.0051% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1239 (1.81, 1.68, 29.29 ppm):
    30 chemical-shift based assignments, quality = 0.815, support = 4.87, residual support = 158.9:
    * O T QB    LYS+ 102 - QD    LYS+ 102   2.33 +/- 0.25  37.006% * 70.3328% (1.00  10.0 10.00   4.75 160.09) =  75.374%  kept
      O T QB    LYS+  65 - QD    LYS+  65   2.12 +/- 0.10  47.203% * 17.4249% (0.25  10.0 10.00   5.31 159.74) =  23.819%  kept
          HG12  ILE  103 - QD    LYS+ 102   6.46 +/- 1.28   2.547% *  4.6769% (0.34   1.0  1.00   3.90  23.23) =   0.345%  kept
          QB    LYS+  66 - QD    LYS+  65   5.39 +/- 0.86   3.829% *  2.6830% (0.17   1.0  1.00   4.39  30.70) =   0.297%  kept
        T HG2   PRO   93 - HD2   LYS+ 111   9.45 +/- 4.05   2.591% *  1.9108% (0.24   1.0 10.00   0.23   0.02) =   0.143%  kept
        T HB    VAL   41 - QD    LYS+ 102  13.52 +/- 5.36   1.449% *  0.3423% (0.49   1.0 10.00   0.02   0.02) =   0.014%
        T HG2   PRO   93 - QD    LYS+  65  16.25 +/- 3.72   0.255% *  0.1641% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  65 - QD    LYS+ 102  20.71 +/- 2.34   0.056% *  0.6894% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   PRO   93 - QD    LYS+ 102  21.37 +/- 1.46   0.048% *  0.6493% (0.92   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QD    LYS+  65  12.21 +/- 5.44   2.309% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  65 - HD2   LYS+ 111  18.91 +/- 2.57   0.088% *  0.1802% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  15.00 +/- 2.28   0.173% *  0.0865% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  20.81 +/- 2.08   0.054% *  0.1778% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  21.35 +/- 1.98   0.050% *  0.1839% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  18.75 +/- 4.45   0.096% *  0.0679% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  65  14.56 +/- 2.84   0.230% *  0.0274% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  12.56 +/- 2.02   0.305% *  0.0172% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+ 102  23.50 +/- 3.90   0.043% *  0.1085% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  21.36 +/- 4.86   0.125% *  0.0342% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  22.52 +/- 2.41   0.045% *  0.0895% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  20.50 +/- 3.06   0.068% *  0.0483% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   LYS+ 111  17.46 +/- 1.94   0.095% *  0.0284% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 111  12.25 +/- 4.78   0.842% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  19.16 +/- 3.66   0.132% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  25.66 +/- 4.28   0.044% *  0.0177% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  19.82 +/- 2.53   0.068% *  0.0063% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  19.58 +/- 2.22   0.070% *  0.0061% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+ 102  26.22 +/- 3.50   0.035% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  65  16.75 +/- 2.64   0.120% *  0.0027% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  28.95 +/- 4.29   0.025% *  0.0089% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1240 (1.45, 1.68, 29.29 ppm):
    39 chemical-shift based assignments, quality = 0.991, support = 4.42, residual support = 158.7:
    * O T HG2   LYS+ 102 - QD    LYS+ 102   2.29 +/- 0.16  51.491% * 92.9239% (1.00  10.0 10.00   4.42 160.09) =  98.950%  kept
          QG    LYS+  66 - QD    LYS+  65   5.62 +/- 1.26   7.784% *  4.5343% (0.22   1.0  1.00   4.45  30.70) =   0.730%  kept
          QB    ALA  110 - HD2   LYS+ 111   5.01 +/- 1.26  13.156% *  1.1425% (0.08   1.0  1.00   3.05   9.11) =   0.311%  kept
          QB    ALA   61 - QD    LYS+  65   4.95 +/- 1.91  15.850% *  0.0124% (0.13   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   40 - QD    LYS+ 102  15.37 +/- 6.10   0.426% *  0.0744% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - HD2   LYS+ 111   8.75 +/- 1.75   1.521% *  0.0195% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - QD    LYS+  65   8.51 +/- 1.43   1.711% *  0.0161% (0.17   1.0  1.00   0.02   0.37) =   0.001%
          HG    LEU   73 - QD    LYS+ 102  17.40 +/- 3.66   0.258% *  0.0911% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+  65   8.31 +/- 0.63   1.174% *  0.0161% (0.17   1.0  1.00   0.02   0.37) =   0.000%
        T HG2   LYS+ 102 - QD    LYS+  65  24.18 +/- 2.41   0.054% *  0.2349% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HD2   LYS+ 111  25.40 +/- 2.34   0.042% *  0.2429% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  65  12.36 +/- 1.60   0.436% *  0.0230% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+ 102  20.68 +/- 4.44   0.142% *  0.0638% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD    LYS+ 102  18.19 +/- 2.91   0.183% *  0.0489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+ 102  20.31 +/- 4.23   0.128% *  0.0638% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD    LYS+ 102  21.21 +/- 2.82   0.085% *  0.0806% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+ 102  19.85 +/- 1.52   0.082% *  0.0744% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+ 102  20.19 +/- 4.68   0.171% *  0.0317% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  65  15.27 +/- 2.81   0.737% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  65  13.96 +/- 1.37   0.281% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+ 111   9.64 +/- 0.98   0.845% *  0.0061% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  65  14.04 +/- 1.97   0.261% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+ 102  17.44 +/- 1.95   0.140% *  0.0287% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   LYS+ 111  19.64 +/- 4.09   0.189% *  0.0211% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+ 102  18.13 +/- 3.44   0.146% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  65  13.20 +/- 2.90   0.520% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  65  13.81 +/- 2.18   0.494% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+ 102  19.25 +/- 2.95   0.115% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 111  15.72 +/- 1.51   0.187% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+ 111  12.60 +/- 1.25   0.351% *  0.0061% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 111  23.07 +/- 4.43   0.089% *  0.0238% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+ 102  20.39 +/- 1.82   0.082% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  65  13.22 +/- 1.52   0.317% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  65  17.27 +/- 3.93   0.214% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+ 111  22.29 +/- 4.13   0.101% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 111  22.51 +/- 3.47   0.087% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+ 111  22.32 +/- 2.49   0.064% *  0.0195% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 111  25.28 +/- 4.04   0.053% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 111  28.05 +/- 2.52   0.031% *  0.0061% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1241 (1.38, 1.68, 29.29 ppm):
    42 chemical-shift based assignments, quality = 0.851, support = 4.04, residual support = 159.5:
    * O T HG3   LYS+ 102 - QD    LYS+ 102   2.40 +/- 0.13  39.359% * 72.1521% (1.00  10.0 10.00   4.00 160.09) =  80.129%  kept
      O T HG3   LYS+  65 - QD    LYS+  65   2.42 +/- 0.14  38.611% * 17.8756% (0.25  10.0 10.00   4.23 159.74) =  19.475%  kept
          HB2   LYS+ 112 - HD2   LYS+ 111   7.58 +/- 1.21   1.974% *  4.4375% (0.26   1.0  1.00   4.75  28.75) =   0.247%  kept
          QB    LEU   98 - QD    LYS+ 102   6.41 +/- 1.39   5.310% *  0.7782% (0.34   1.0  1.00   0.63   2.17) =   0.117%  kept
        T HG3   LYS+ 106 - QD    LYS+ 102  10.04 +/- 1.19   0.636% *  0.6825% (0.95   1.0 10.00   0.02   0.02) =   0.012%
        T HB3   PRO   93 - HD2   LYS+ 111  10.22 +/- 3.62   2.539% *  0.0775% (0.11   1.0 10.00   0.02   0.02) =   0.006%
          HG    LEU   98 - QD    LYS+ 102   7.37 +/- 1.80   5.535% *  0.0201% (0.28   1.0  1.00   0.02   2.17) =   0.003%
        T HB3   LEU   73 - QD    LYS+ 102  17.88 +/- 3.21   0.137% *  0.7199% (1.00   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  33 - QD    LYS+ 102  18.10 +/- 4.11   0.122% *  0.6825% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - HD2   LYS+ 111  14.86 +/- 2.32   0.257% *  0.1784% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - QD    LYS+ 102  23.80 +/- 2.97   0.046% *  0.7072% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD    LYS+ 102  15.01 +/- 4.10   0.309% *  0.0707% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  33 - QD    LYS+  65  17.73 +/- 2.73   0.117% *  0.1725% (0.24   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - QD    LYS+  65  18.32 +/- 2.46   0.113% *  0.1725% (0.24   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LEU   73 - HD2   LYS+ 111  22.95 +/- 3.83   0.072% *  0.1882% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD2   LYS+ 111  22.30 +/- 3.19   0.067% *  0.1849% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD2   LYS+ 111  25.21 +/- 2.30   0.039% *  0.1886% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  65  11.70 +/- 1.69   0.402% *  0.0182% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  65  12.21 +/- 1.88   0.407% *  0.0179% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  65  24.41 +/- 2.41   0.039% *  0.1824% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  15.79 +/- 2.97   0.193% *  0.0271% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+ 102  21.82 +/- 4.68   0.112% *  0.0438% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD2   LYS+ 111  30.80 +/- 3.01   0.023% *  0.1784% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  65  15.73 +/- 2.58   0.204% *  0.0181% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  14.41 +/- 3.43   0.442% *  0.0075% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+ 102  23.39 +/- 1.74   0.046% *  0.0715% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  65   9.91 +/- 2.64   1.038% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+  65  17.15 +/- 3.91   0.259% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  15.11 +/- 3.36   0.305% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.60 +/- 1.50   0.067% *  0.0297% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD2   LYS+ 111  18.99 +/- 2.48   0.102% *  0.0185% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  16.64 +/- 3.04   0.172% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  21.55 +/- 4.82   0.080% *  0.0143% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+ 102  19.82 +/- 3.04   0.095% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  15.37 +/- 2.94   0.222% *  0.0036% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  65  16.74 +/- 1.70   0.128% *  0.0062% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 111  18.87 +/- 2.27   0.099% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.79 +/- 2.24   0.097% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  21.45 +/- 2.51   0.069% *  0.0052% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.90 +/- 1.62   0.076% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 111  31.99 +/- 3.86   0.021% *  0.0114% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   LYS+ 111  22.49 +/- 3.01   0.058% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1242 (1.68, 1.68, 29.29 ppm):
    3 diagonal assignments:
    *     QD    LYS+ 102 - QD    LYS+ 102  (1.00)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.18)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.14)  kept
 
    Peak 1243 (3.02, 1.68, 29.29 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 160.0:
    * O T QE    LYS+ 102 - QD    LYS+ 102   2.10 +/- 0.02  95.991% * 97.1326% (1.00  10.0 10.00   4.00 160.09) =  99.973%  kept
        T QE    LYS+  99 - QD    LYS+ 102   8.72 +/- 1.73   2.331% *  0.6672% (0.69   1.0 10.00   0.02   1.59) =   0.017%
        T QE    LYS+  38 - QD    LYS+ 102  14.60 +/- 6.53   0.880% *  0.8966% (0.92   1.0 10.00   0.02   0.02) =   0.008%
        T QE    LYS+  38 - QD    LYS+  65  18.17 +/- 2.96   0.258% *  0.2266% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  99 - QD    LYS+  65  17.32 +/- 3.49   0.218% *  0.1686% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HD2   LYS+ 111  21.97 +/- 2.57   0.096% *  0.2539% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+  65  22.16 +/- 1.72   0.088% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HD2   LYS+ 111  22.45 +/- 2.38   0.087% *  0.1744% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HD2   LYS+ 111  27.03 +/- 2.74   0.050% *  0.2344% (0.24   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1244 (4.60, 3.02, 42.50 ppm):
    18 chemical-shift based assignments, quality = 0.999, support = 5.05, residual support = 159.9:
    *   T HA    LYS+ 102 - QE    LYS+ 102   3.41 +/- 0.48  77.067% * 98.6090% (1.00 10.00   5.05 160.09) =  99.898%  kept
        T HA    LYS+ 102 - QE    LYS+  99   8.34 +/- 1.47  10.178% *  0.6725% (0.68 10.00   0.02   1.59) =   0.090%
        T HA    LYS+ 102 - QE    LYS+  38  15.10 +/- 6.71   2.333% *  0.2257% (0.23 10.00   0.02   0.02) =   0.007%
          HA    CYS   21 - QE    LYS+ 102  20.71 +/- 4.10   1.501% *  0.0824% (0.84  1.00   0.02   0.02) =   0.002%
          HA    CYS   21 - QE    LYS+  99  16.89 +/- 3.89   1.126% *  0.0562% (0.57  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - QE    LYS+ 102  26.86 +/- 5.70   0.979% *  0.0638% (0.65  1.00   0.02   0.02) =   0.001%
          HA1   GLY  109 - QE    LYS+ 102  19.47 +/- 2.15   0.515% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+ 102  25.29 +/- 4.33   0.480% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  38  16.97 +/- 2.94   0.887% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  99  16.14 +/- 3.85   1.251% *  0.0133% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+ 102  20.44 +/- 3.73   0.812% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  99  25.87 +/- 3.61   0.305% *  0.0435% (0.44  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  99  20.52 +/- 1.05   0.394% *  0.0327% (0.33  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  99  23.81 +/- 3.03   0.317% *  0.0301% (0.31  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  38  27.76 +/- 5.16   0.305% *  0.0146% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  38  16.54 +/- 3.01   0.993% *  0.0045% (0.05  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  38  25.60 +/- 2.60   0.288% *  0.0110% (0.11  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  38  26.11 +/- 4.48   0.270% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1245 (1.81, 3.02, 42.50 ppm):
    30 chemical-shift based assignments, quality = 0.982, support = 4.66, residual support = 156.0:
    *   T QB    LYS+ 102 - QE    LYS+ 102   2.57 +/- 0.50  57.416% * 81.0110% (1.00 10.00   4.75 160.09) =  97.370%  kept
        T HB    VAL   41 - QE    LYS+  99  10.12 +/- 5.75   8.213% * 10.8528% (0.33 10.00   0.81   0.02) =   1.866%  kept
          HG12  ILE  103 - QE    LYS+ 102   6.69 +/- 1.00   5.165% *  5.4646% (0.34  1.00   3.96  23.23) =   0.591%  kept
        T HB    VAL   41 - QE    LYS+ 102  13.86 +/- 5.56   8.319% *  0.3943% (0.49 10.00   0.02   0.02) =   0.069%
        T QB    LYS+ 102 - QE    LYS+  99   7.09 +/- 1.53   5.276% *  0.5525% (0.68 10.00   0.02   1.59) =   0.061%
          HG12  ILE  103 - QE    LYS+  99   9.11 +/- 1.00   1.751% *  0.7693% (0.23  1.00   0.82   0.73) =   0.028%
        T QB    LYS+ 102 - QE    LYS+  38  13.70 +/- 6.35   1.512% *  0.1854% (0.23 10.00   0.02   0.02) =   0.006%
        T HB    VAL   41 - QE    LYS+  38  10.31 +/- 1.77   1.478% *  0.0903% (0.11 10.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - QE    LYS+  99  13.05 +/- 6.36   1.710% *  0.0533% (0.66  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - QE    LYS+  38  10.43 +/- 2.43   2.036% *  0.0179% (0.22  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QE    LYS+  99  16.14 +/- 6.08   1.299% *  0.0269% (0.33  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QE    LYS+ 102  18.95 +/- 4.46   0.310% *  0.0782% (0.97  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - QE    LYS+  99  15.99 +/- 3.57   0.429% *  0.0542% (0.67  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  99  15.17 +/- 4.75   0.585% *  0.0380% (0.47  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+ 102  20.92 +/- 1.98   0.172% *  0.0794% (0.98  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  38  16.11 +/- 3.48   0.839% *  0.0127% (0.16  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+ 102  20.72 +/- 2.89   0.179% *  0.0556% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+ 102  21.50 +/- 1.33   0.123% *  0.0748% (0.92  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+ 102  21.85 +/- 5.11   0.200% *  0.0394% (0.49  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  99  20.91 +/- 1.23   0.147% *  0.0510% (0.63  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  38  17.01 +/- 2.85   0.300% *  0.0182% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  38  15.87 +/- 3.62   0.467% *  0.0090% (0.11  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  99  19.05 +/- 6.19   0.442% *  0.0085% (0.11  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  38  15.70 +/- 4.60   0.546% *  0.0063% (0.08  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  38  24.32 +/- 3.51   0.108% *  0.0171% (0.21  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  38  22.85 +/- 5.52   0.633% *  0.0029% (0.04  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+ 102  23.69 +/- 4.30   0.119% *  0.0125% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+ 102  26.35 +/- 3.44   0.075% *  0.0125% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  99  25.03 +/- 2.29   0.085% *  0.0085% (0.11  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  38  27.74 +/- 4.39   0.064% *  0.0029% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1246 (1.45, 3.02, 42.50 ppm):
    39 chemical-shift based assignments, quality = 0.995, support = 4.39, residual support = 158.8:
    * O T HG2   LYS+ 102 - QE    LYS+ 102   3.00 +/- 0.53  46.189% * 95.3931% (1.00  10.0 10.00   4.42 160.09) =  99.139%  kept
          HG    LEU   40 - QE    LYS+  99   9.60 +/- 7.82  13.852% *  2.3944% (0.55   1.0  1.00   0.92   8.09) =   0.746%  kept
        T HG2   LYS+ 102 - QE    LYS+  99   8.67 +/- 1.84   3.988% *  0.6506% (0.68   1.0 10.00   0.02   1.59) =   0.058%
          HG    LEU   40 - QE    LYS+  38   8.91 +/- 2.42   8.335% *  0.1833% (0.18   1.0  1.00   0.21   0.83) =   0.034%
        T HG2   LYS+ 102 - QE    LYS+  38  15.46 +/- 7.64   1.178% *  0.2184% (0.23   1.0 10.00   0.02   0.02) =   0.006%
          QG    LYS+  66 - QE    LYS+  38  16.64 +/- 3.96   4.351% *  0.0189% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   73 - QE    LYS+  99  14.16 +/- 3.77   1.168% *  0.0638% (0.67   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   67 - QE    LYS+  99  14.44 +/- 5.82   1.178% *  0.0447% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QE    LYS+ 102  15.64 +/- 6.02   0.626% *  0.0764% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - QE    LYS+  99  14.56 +/- 3.63   1.219% *  0.0342% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - QE    LYS+  38  14.55 +/- 3.65   2.711% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - QE    LYS+  99  14.78 +/- 5.56   0.886% *  0.0447% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - QE    LYS+  38  14.07 +/- 3.30   2.383% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - QE    LYS+  99  15.83 +/- 4.64   0.551% *  0.0564% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QE    LYS+  38  13.78 +/- 2.92   1.409% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QE    LYS+ 102  17.63 +/- 3.70   0.318% *  0.0935% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QE    LYS+  99  18.07 +/- 3.11   0.344% *  0.0521% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+ 102  20.03 +/- 2.34   0.211% *  0.0764% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  99  14.33 +/- 4.51   0.989% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+ 102  18.37 +/- 2.60   0.276% *  0.0502% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+ 102  20.57 +/- 3.94   0.205% *  0.0655% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+ 102  21.44 +/- 2.67   0.158% *  0.0827% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+ 102  20.98 +/- 4.06   0.198% *  0.0655% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  38  21.46 +/- 6.95   1.632% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  99  15.36 +/- 4.75   0.718% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+ 102  17.51 +/- 2.09   0.373% *  0.0294% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  38  15.91 +/- 3.45   0.786% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+ 102  20.49 +/- 4.38   0.267% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+ 102  18.29 +/- 3.91   0.354% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  99  19.97 +/- 4.33   0.296% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  99  17.63 +/- 1.75   0.307% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  38  13.11 +/- 2.91   0.969% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+ 102  19.66 +/- 3.30   0.207% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  99  18.18 +/- 3.42   0.300% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+ 102  20.56 +/- 2.29   0.189% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  38  22.58 +/- 3.63   0.173% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  38  19.21 +/- 4.50   0.360% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  38  21.29 +/- 2.66   0.184% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  38  22.38 +/- 3.67   0.164% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1247 (1.38, 3.02, 42.50 ppm):
    42 chemical-shift based assignments, quality = 0.995, support = 3.99, residual support = 159.1:
    * O T HG3   LYS+ 102 - QE    LYS+ 102   2.42 +/- 0.39  54.510% * 86.3229% (1.00  10.0 10.00   4.00 160.09) =  99.333%  kept
          QB    LEU   98 - QE    LYS+  99   6.77 +/- 0.63   3.749% *  4.2713% (0.23   1.0  1.00   4.25  18.55) =   0.338%  kept
          QB    LEU   98 - QE    LYS+ 102   6.78 +/- 1.12   6.907% *  0.9311% (0.34   1.0  1.00   0.63   2.17) =   0.136%  kept
          HG    LEU   98 - QE    LYS+  99   7.57 +/- 0.98   2.343% *  2.1369% (0.19   1.0  1.00   2.61  18.55) =   0.106%  kept
        T HG3   LYS+ 102 - QE    LYS+  99   9.07 +/- 1.87   1.689% *  0.5887% (0.68   1.0 10.00   0.02   1.59) =   0.021%
        T HG3   LYS+ 106 - QE    LYS+ 102  10.14 +/- 1.53   0.906% *  0.8166% (0.95   1.0 10.00   0.02   0.02) =   0.016%
        T HG3   LYS+ 106 - QE    LYS+  99  11.31 +/- 1.09   0.708% *  0.5569% (0.65   1.0 10.00   0.02   0.02) =   0.008%
        T HG3   LYS+  33 - QE    LYS+  38   9.83 +/- 1.65   1.680% *  0.1869% (0.22   1.0 10.00   0.02   0.02) =   0.007%
          QB    ALA   12 - QE    LYS+  99  17.74 +/- 6.32   7.989% *  0.0357% (0.41   1.0  1.00   0.02   0.02) =   0.006%
        T HG3   LYS+  33 - QE    LYS+  99  14.04 +/- 4.43   0.502% *  0.5569% (0.65   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+  33 - QE    LYS+ 102  18.36 +/- 4.58   0.336% *  0.8166% (0.95   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 102 - QE    LYS+  38  16.05 +/- 7.64   0.632% *  0.1976% (0.23   1.0 10.00   0.02   0.02) =   0.003%
          HB    VAL   42 - QE    LYS+  99  10.79 +/- 4.97   2.114% *  0.0577% (0.67   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+  65 - QE    LYS+  99  18.49 +/- 4.41   0.203% *  0.5770% (0.67   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   42 - QE    LYS+ 102  15.27 +/- 4.10   1.106% *  0.0846% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - QE    LYS+ 102  24.02 +/- 2.59   0.105% *  0.8461% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   98 - QE    LYS+ 102   7.88 +/- 1.39   3.616% *  0.0240% (0.28   1.0  1.00   0.02   2.17) =   0.002%
        T HG3   LYS+  65 - QE    LYS+  38  19.00 +/- 3.54   0.217% *  0.1937% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - QE    LYS+  38  18.02 +/- 2.95   0.190% *  0.1869% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QE    LYS+  99  14.59 +/- 3.29   0.458% *  0.0587% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QE    LYS+ 102  18.15 +/- 3.31   0.275% *  0.0861% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  38  15.74 +/- 3.74   1.381% *  0.0120% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  38  12.28 +/- 2.52   0.707% *  0.0194% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 102  15.96 +/- 2.67   0.311% *  0.0324% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  38  20.06 +/- 6.36   2.139% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  38  14.87 +/- 2.92   0.422% *  0.0197% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+ 102  22.15 +/- 4.81   0.144% *  0.0524% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  99  17.23 +/- 6.81   0.523% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+ 102  23.51 +/- 1.98   0.068% *  0.0856% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  99  16.51 +/- 2.85   0.261% *  0.0221% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  38  12.74 +/- 4.46   0.854% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  99  21.99 +/- 2.21   0.088% *  0.0583% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  38  18.69 +/- 4.74   0.649% *  0.0074% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  99  16.19 +/- 3.85   0.504% *  0.0091% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  38  14.24 +/- 5.32   0.736% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+ 102  20.77 +/- 1.53   0.105% *  0.0355% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  99  19.54 +/- 1.09   0.124% *  0.0242% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 102  21.73 +/- 5.16   0.157% *  0.0171% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+ 102  20.13 +/- 3.29   0.166% *  0.0133% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  38  25.93 +/- 3.78   0.064% *  0.0196% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  38  17.16 +/- 3.60   0.272% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  38  22.83 +/- 3.52   0.090% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1248 (1.68, 3.02, 42.50 ppm):
    36 chemical-shift based assignments, quality = 0.791, support = 4.02, residual support = 169.9:
    * O T QD    LYS+ 102 - QE    LYS+ 102   2.10 +/- 0.02  30.477% * 72.2175% (1.00  10.0 10.00   4.00 160.09) =  74.848%  kept
      O   QD    LYS+  38 - QE    LYS+  38   2.10 +/- 0.04  30.317% * 13.2369% (0.18  10.0  1.00   3.74 219.76) =  13.647%  kept
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.02  30.775% * 10.9650% (0.15  10.0 10.00   4.47 175.13) =  11.476%  kept
        T QD    LYS+ 102 - QE    LYS+  99   8.72 +/- 1.73   0.729% *  0.4925% (0.68   1.0 10.00   0.02   1.59) =   0.012%
        T QD    LYS+  99 - QE    LYS+ 102   8.22 +/- 1.15   0.629% *  0.1608% (0.22   1.0 10.00   0.02   1.59) =   0.003%
        T QD    LYS+ 106 - QE    LYS+ 102   9.27 +/- 1.70   0.506% *  0.1801% (0.25   1.0 10.00   0.02   0.02) =   0.003%
          QD    LYS+  38 - QE    LYS+  99  11.19 +/- 7.02   1.508% *  0.0394% (0.55   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - QE    LYS+  38  14.60 +/- 6.53   0.285% *  0.1653% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 106 - QE    LYS+  99  11.07 +/- 1.38   0.282% *  0.1228% (0.17   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  99 - QE    LYS+  38  11.30 +/- 6.72   0.913% *  0.0368% (0.05   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+  99  17.32 +/- 3.49   0.070% *  0.2788% (0.39   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   83 - QE    LYS+  38  20.54 +/- 6.72   1.524% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - QE    LYS+ 102  15.20 +/- 6.66   0.263% *  0.0578% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - QE    LYS+ 102  21.97 +/- 2.57   0.030% *  0.4961% (0.69   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+ 102  22.16 +/- 1.72   0.028% *  0.4089% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  99  22.45 +/- 2.38   0.028% *  0.3383% (0.47   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  38  18.17 +/- 2.96   0.079% *  0.0936% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 102  18.06 +/- 4.53   0.136% *  0.0467% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  99  15.22 +/- 6.98   0.233% *  0.0259% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  99  18.83 +/- 6.64   0.101% *  0.0455% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 102  19.18 +/- 6.19   0.076% *  0.0380% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  16.94 +/- 2.34   0.065% *  0.0412% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  14.97 +/- 3.31   0.128% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  99  18.58 +/- 3.96   0.081% *  0.0319% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  18.63 +/- 3.28   0.071% *  0.0297% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 102  23.54 +/- 4.77   0.030% *  0.0667% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 102  22.24 +/- 1.64   0.027% *  0.0683% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  38  22.84 +/- 6.09   0.121% *  0.0153% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  38  27.03 +/- 2.74   0.016% *  0.1136% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  99  21.36 +/- 1.11   0.030% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  38  20.16 +/- 5.98   0.153% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 102  22.13 +/- 1.89   0.029% *  0.0409% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  15.02 +/- 2.95   0.162% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  99  21.94 +/- 1.14   0.028% *  0.0279% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  38  24.48 +/- 4.01   0.032% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  38  24.50 +/- 4.04   0.038% *  0.0094% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1249 (3.02, 3.02, 42.50 ppm):
    3 diagonal assignments:
    *     QE    LYS+ 102 - QE    LYS+ 102  (1.00)  kept
          QE    LYS+  99 - QE    LYS+  99  (0.47)  kept
          QE    LYS+  38 - QE    LYS+  38  (0.21)  kept
 
    Peak 1250 (4.28, 4.28, 62.30 ppm):
    2 diagonal assignments:
    *     HA    ILE  103 - HA    ILE  103  (1.00)  kept
          HA    THR   39 - HA    THR   39  (0.24)  kept
 
    Peak 1251 (1.86, 4.28, 62.30 ppm):
    26 chemical-shift based assignments, quality = 0.771, support = 5.73, residual support = 138.0:
    * O T HB    ILE  103 - HA    ILE  103   2.98 +/- 0.03  27.489% * 78.9975% (1.00  10.0 10.00   5.66 138.66) =  71.252%  kept
      O T HG12  ILE  103 - HA    ILE  103   2.33 +/- 0.40  54.966% * 15.6335% (0.20  10.0 10.00   5.98 138.66) =  28.196%  kept
          HB3   LYS+  38 - HA    THR   39   4.84 +/- 0.33   6.828% *  1.2812% (0.08   1.0  1.00   3.94  22.99) =   0.287%  kept
          HB3   ASP- 105 - HA    ILE  103   7.06 +/- 0.82   2.510% *  2.8540% (0.99   1.0  1.00   0.73   3.39) =   0.235%  kept
          QB    LYS+ 106 - HA    ILE  103   6.93 +/- 0.90   2.343% *  0.2842% (0.80   1.0  1.00   0.09   0.02) =   0.022%
        T HB    ILE  103 - HA    THR   39  17.34 +/- 5.50   0.236% *  0.2610% (0.33   1.0 10.00   0.02   0.02) =   0.002%
          HG3   PRO   68 - HA    THR   39  12.93 +/- 2.97   1.011% *  0.0260% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HA    ILE  103  18.92 +/- 3.69   0.371% *  0.0660% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    THR   39   9.63 +/- 0.95   0.976% *  0.0247% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    ILE  103  15.96 +/- 3.56   0.284% *  0.0747% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    ILE  103  19.64 +/- 5.82   0.225% *  0.0788% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    THR   39  16.48 +/- 4.78   0.569% *  0.0259% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE  103  18.81 +/- 1.71   0.111% *  0.0708% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    THR   39  21.73 +/- 5.43   0.357% *  0.0218% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE  103  16.34 +/- 6.58   0.373% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ILE  103  24.97 +/- 3.60   0.066% *  0.0788% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    THR   39  17.44 +/- 3.34   0.207% *  0.0209% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ILE  103  21.36 +/- 4.80   0.104% *  0.0325% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ILE  103  20.57 +/- 2.78   0.094% *  0.0296% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    THR   39  15.61 +/- 5.38   0.383% *  0.0052% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ILE  103  24.42 +/- 3.08   0.058% *  0.0325% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    THR   39  22.32 +/- 5.09   0.169% *  0.0107% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    THR   39  26.21 +/- 4.47   0.066% *  0.0260% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    THR   39  24.57 +/- 4.03   0.069% *  0.0234% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    THR   39  22.63 +/- 3.18   0.090% *  0.0098% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    THR   39  27.27 +/- 3.02   0.045% *  0.0107% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1252 (0.98, 4.28, 62.30 ppm):
    16 chemical-shift based assignments, quality = 0.865, support = 5.39, residual support = 137.9:
    * O T QG2   ILE  103 - HA    ILE  103   2.61 +/- 0.16  42.847% * 65.7293% (1.00  10.0 10.00   5.57 138.66) =  75.668%  kept
        T QD1   ILE  103 - HA    ILE  103   3.04 +/- 0.52  29.863% * 29.4685% (0.45   1.0 10.00   4.88 138.66) =  23.644%  kept
          QD2   LEU   40 - HA    THR   39   5.55 +/- 0.71   5.694% *  3.9155% (0.32   1.0  1.00   3.74  24.68) =   0.599%  kept
          QD2   LEU   71 - HA    THR   39   7.74 +/- 2.69  11.532% *  0.2398% (0.19   1.0  1.00   0.39   0.14) =   0.074%
          QD2   LEU   40 - HA    ILE  103   9.09 +/- 5.45   3.608% *  0.0634% (0.97   1.0  1.00   0.02   0.02) =   0.006%
          QD1   LEU   67 - HA    ILE  103  13.92 +/- 3.81   1.415% *  0.0644% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T QG2   ILE  103 - HA    THR   39  14.01 +/- 4.22   0.405% *  0.2172% (0.33   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU   67 - HA    THR   39   9.35 +/- 1.83   1.974% *  0.0213% (0.32   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   ILE  103 - HA    THR   39  14.11 +/- 4.48   0.427% *  0.0974% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HA    ILE  103  17.69 +/- 3.85   0.351% *  0.0644% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HA    ILE  103  14.74 +/- 3.32   0.330% *  0.0372% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    ILE  103  14.99 +/- 2.70   0.290% *  0.0270% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    THR   39  14.69 +/- 2.44   0.587% *  0.0089% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  16.41 +/- 3.43   0.256% *  0.0183% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  16.90 +/- 2.94   0.210% *  0.0213% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  17.45 +/- 3.51   0.211% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1253 (0.96, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.733, support = 5.06, residual support = 138.3:
    *   T QD1   ILE  103 - HA    ILE  103   3.04 +/- 0.52  30.126% * 77.2966% (0.92   1.0 10.00   4.88 138.66) =  71.843%  kept
      O T QG2   ILE  103 - HA    ILE  103   2.61 +/- 0.16  43.226% * 20.8794% (0.25  10.0 10.00   5.57 138.66) =  27.845%  kept
          QD2   LEU   71 - HA    THR   39   7.74 +/- 2.69  11.633% *  0.4507% (0.28   1.0  1.00   0.39   0.14) =   0.162%  kept
          QD2   LEU   40 - HA    THR   39   5.55 +/- 0.71   5.745% *  0.7975% (0.05   1.0  1.00   3.74  24.68) =   0.141%  kept
        T QD1   ILE  103 - HA    THR   39  14.11 +/- 4.48   0.430% *  0.2554% (0.30   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU   40 - HA    ILE  103   9.09 +/- 5.45   3.640% *  0.0129% (0.15   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   ILE  103 - HA    THR   39  14.01 +/- 4.22   0.408% *  0.0690% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HA    ILE  103  14.74 +/- 3.32   0.333% *  0.0699% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HA    ILE  103  16.41 +/- 3.43   0.258% *  0.0835% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HA    ILE  103  13.92 +/- 3.81   1.428% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HA    ILE  103  17.69 +/- 3.85   0.354% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39   9.35 +/- 1.83   1.992% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  17.45 +/- 3.51   0.213% *  0.0276% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  16.90 +/- 2.94   0.212% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1254 (4.28, 1.86, 38.31 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 138.6:
    * O T HA    ILE  103 - HB    ILE  103   2.98 +/- 0.03  92.939% * 98.6567% (1.00  10.0 10.00   5.66 138.66) =  99.989%  kept
        T HA    THR   39 - HB    ILE  103  17.34 +/- 5.50   0.755% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.006%
          HA    ASP-  44 - HB    ILE  103  13.66 +/- 2.16   1.478% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   77 - HB    ILE  103  19.47 +/- 3.66   1.183% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB    ILE  103  20.89 +/- 4.87   0.823% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB    ILE  103  17.16 +/- 3.21   0.621% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - HB    ILE  103  16.14 +/- 3.57   0.869% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    ILE  103  26.13 +/- 4.34   0.303% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    ILE  103  31.22 +/- 4.92   0.132% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    ILE  103  20.38 +/- 3.21   0.373% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB    ILE  103  28.89 +/- 5.37   0.239% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB    ILE  103  25.76 +/- 4.89   0.284% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1255 (1.86, 1.86, 38.31 ppm):
    1 diagonal assignment:
    *     HB    ILE  103 - HB    ILE  103  (1.00)  kept
 
    Peak 1256 (0.98, 1.86, 38.31 ppm):
    8 chemical-shift based assignments, quality = 0.843, support = 5.04, residual support = 138.7:
    * O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.02  51.834% * 68.8462% (1.00  10.0 10.00   5.18 138.66) =  71.577%  kept
      O T QD1   ILE  103 - HB    ILE  103   2.25 +/- 0.30  45.907% * 30.8659% (0.45  10.0 10.00   4.70 138.66) =  28.421%  kept
          QD2   LEU   40 - HB    ILE  103  11.06 +/- 4.93   0.819% *  0.0664% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HB    ILE  103  15.54 +/- 3.68   0.765% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HB    ILE  103  19.20 +/- 4.07   0.128% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  103  16.29 +/- 3.33   0.277% *  0.0283% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  16.60 +/- 2.87   0.140% *  0.0390% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  17.23 +/- 3.19   0.130% *  0.0191% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1257 (0.96, 1.86, 38.31 ppm):
    7 chemical-shift based assignments, quality = 0.766, support = 4.81, residual support = 138.7:
    * O T QD1   ILE  103 - HB    ILE  103   2.25 +/- 0.30  46.034% * 78.5650% (0.92  10.0 10.00   4.70 138.66) =  76.628%  kept
      O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.02  51.978% * 21.2220% (0.25  10.0 10.00   5.18 138.66) =  23.371%  kept
          QD1   LEU   67 - HB    ILE  103  15.54 +/- 3.68   0.767% *  0.0149% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  17.23 +/- 3.19   0.130% *  0.0849% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  103  11.06 +/- 4.93   0.822% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  16.60 +/- 2.87   0.140% *  0.0711% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  19.20 +/- 4.07   0.128% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1258 (4.28, 0.98, 18.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.57, residual support = 138.6:
    * O T HA    ILE  103 - QG2   ILE  103   2.61 +/- 0.16  91.452% * 98.6567% (1.00  10.0 10.00   5.57 138.66) =  99.987%  kept
        T HA    THR   39 - QG2   ILE  103  14.01 +/- 4.22   0.878% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.007%
          HA    ASP-  44 - QG2   ILE  103  10.03 +/- 1.72   2.121% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   77 - QG2   ILE  103  15.39 +/- 2.77   1.372% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - QG2   ILE  103  14.02 +/- 2.50   0.787% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QG2   ILE  103  16.87 +/- 3.71   0.847% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - QG2   ILE  103  20.40 +/- 3.31   0.391% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   ILE  103  13.59 +/- 2.54   0.853% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   ILE  103  15.47 +/- 2.56   0.572% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   ILE  103  25.86 +/- 4.02   0.150% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   ILE  103  23.86 +/- 4.33   0.261% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   ILE  103  21.13 +/- 3.93   0.317% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1259 (1.86, 0.98, 18.17 ppm):
    13 chemical-shift based assignments, quality = 0.929, support = 5.16, residual support = 137.6:
    * O T HB    ILE  103 - QG2   ILE  103   2.12 +/- 0.02  51.503% * 79.0027% (1.00  10.0 10.00   5.18 138.66) =  90.418%  kept
      O T HG12  ILE  103 - QG2   ILE  103   2.72 +/- 0.22  25.285% * 15.6345% (0.20  10.0 10.00   5.46 138.66) =   8.785%  kept
          HB3   ASP- 105 - QG2   ILE  103   4.72 +/- 0.66   5.643% *  4.0710% (0.99   1.0  1.00   1.04   3.39) =   0.510%  kept
          QB    LYS+ 106 - QG2   ILE  103   3.56 +/- 0.95  15.864% *  0.8082% (0.80   1.0  1.00   0.26   0.02) =   0.285%  kept
          QB    LYS+  81 - QG2   ILE  103  15.45 +/- 2.71   0.330% *  0.0660% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE  103  16.76 +/- 4.56   0.246% *  0.0788% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE  103  14.98 +/- 2.71   0.202% *  0.0747% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE  103  14.41 +/- 1.78   0.192% *  0.0709% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE  103  19.65 +/- 3.12   0.115% *  0.0788% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   ILE  103  16.98 +/- 3.82   0.148% *  0.0325% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG2   ILE  103  15.89 +/- 2.60   0.150% *  0.0297% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   ILE  103  15.32 +/- 4.59   0.218% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   ILE  103  18.81 +/- 2.99   0.105% *  0.0325% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1260 (0.98, 0.98, 18.17 ppm):
    1 diagonal assignment:
    *     QG2   ILE  103 - QG2   ILE  103  (1.00)  kept
 
    Peak 1261 (0.96, 0.98, 18.17 ppm):
    1 diagonal assignment:
          QG2   ILE  103 - QG2   ILE  103  (0.25)  kept
    Reference assignment not found: QD1   ILE  103 - QG2   ILE  103
 
    Peak 1262 (4.28, 0.96, 13.94 ppm):
    12 chemical-shift based assignments, quality = 0.922, support = 4.87, residual support = 138.5:
    *   T HA    ILE  103 - QD1   ILE  103   3.04 +/- 0.52  77.990% * 97.5368% (0.92 10.00   4.88 138.66) =  99.917%  kept
          HA    ASP-  86 - QD1   ILE  103  12.05 +/- 3.34   3.137% *  1.1622% (0.26  1.00   0.86   0.02) =   0.048%
        T HA    THR   39 - QD1   ILE  103  14.11 +/- 4.48   1.751% *  0.7083% (0.67 10.00   0.02   0.02) =   0.016%
          HA    ASP-  44 - QD1   ILE  103  10.79 +/- 2.06   5.946% *  0.0923% (0.87  1.00   0.02   0.02) =   0.007%
          HB    THR   77 - QD1   ILE  103  15.22 +/- 3.31   4.555% *  0.0956% (0.90  1.00   0.02   0.02) =   0.006%
          HA    GLU-  79 - QD1   ILE  103  16.09 +/- 4.36   2.550% *  0.0781% (0.74  1.00   0.02   0.02) =   0.003%
          HA    SER   85 - QD1   ILE  103  13.14 +/- 2.93   1.876% *  0.0956% (0.90  1.00   0.02   0.02) =   0.002%
          HA1   GLY   51 - QD1   ILE  103  21.46 +/- 3.77   0.504% *  0.0592% (0.56  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QD1   ILE  103  16.97 +/- 2.94   0.814% *  0.0301% (0.28  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   ILE  103  25.01 +/- 4.12   0.190% *  0.0900% (0.85  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   ILE  103  20.60 +/- 4.42   0.407% *  0.0217% (0.21  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   ILE  103  23.13 +/- 4.49   0.282% *  0.0301% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1263 (1.86, 0.96, 13.94 ppm):
    13 chemical-shift based assignments, quality = 0.792, support = 4.69, residual support = 138.6:
    * O T HB    ILE  103 - QD1   ILE  103   2.25 +/- 0.30  44.581% * 82.9317% (0.92  10.0 10.00   4.70 138.66) =  82.285%  kept
      O T HG12  ILE  103 - QD1   ILE  103   2.15 +/- 0.01  48.469% * 16.4121% (0.18  10.0 10.00   4.62 138.66) =  17.705%  kept
          QB    LYS+ 106 - QD1   ILE  103   5.65 +/- 1.05   3.897% *  0.0664% (0.74   1.0  1.00   0.02   0.02) =   0.006%
          HB3   ASP- 105 - QD1   ILE  103   7.81 +/- 0.70   1.248% *  0.0822% (0.91   1.0  1.00   0.02   3.39) =   0.002%
          QB    LYS+  81 - QD1   ILE  103  14.78 +/- 3.13   0.510% *  0.0693% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QD1   ILE  103  14.03 +/- 2.85   0.247% *  0.0785% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   ILE  103  21.02 +/- 3.75   0.190% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE  103  14.42 +/- 1.90   0.189% *  0.0744% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD1   ILE  103  18.26 +/- 4.35   0.131% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE  103  15.16 +/- 5.10   0.259% *  0.0207% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   ILE  103  17.60 +/- 2.79   0.114% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   ILE  103  20.23 +/- 3.34   0.084% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD1   ILE  103  19.44 +/- 3.22   0.083% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1264 (0.98, 0.96, 13.94 ppm):
    1 diagonal assignment:
          QD1   ILE  103 - QD1   ILE  103  (0.41)  kept
    Reference assignment not found: QG2   ILE  103 - QD1   ILE  103
 
    Peak 1265 (0.96, 0.96, 13.94 ppm):
    1 diagonal assignment:
    *     QD1   ILE  103 - QD1   ILE  103  (0.85)  kept
 
    Peak 1266 (4.32, 4.32, 55.17 ppm):
    1 diagonal assignment:
    *     HA    LEU  104 - HA    LEU  104  (1.00)  kept
 
    Peak 1267 (1.04, 4.32, 55.17 ppm):
    5 chemical-shift based assignments, quality = 0.865, support = 5.98, residual support = 215.5:
    * O T HB2   LEU  104 - HA    LEU  104   2.95 +/- 0.07  95.617% * 99.7433% (0.87  10.0 10.00   5.98 215.53) =  99.996%  kept
          QG2   VAL  108 - HA    LEU  104  10.79 +/- 0.80   2.144% *  0.1110% (0.96   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  119 - HA    LEU  104  15.43 +/- 3.42   0.983% *  0.0651% (0.56   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   63 - HA    LEU  104  16.57 +/- 3.34   0.955% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    LEU  104  20.68 +/- 1.87   0.301% *  0.0605% (0.52   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1268 (0.86, 4.32, 55.17 ppm):
    6 chemical-shift based assignments, quality = 0.762, support = 5.3, residual support = 215.5:
    * O T HB3   LEU  104 - HA    LEU  104   2.41 +/- 0.20  96.046% * 99.4463% (0.76  10.0 10.00   5.31 215.53) =  99.995%  kept
          QG1   VAL   70 - HA    LEU  104  13.42 +/- 4.31   1.304% *  0.1256% (0.96   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HA    LEU  104  16.25 +/- 5.35   0.752% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HA    LEU  104  15.98 +/- 3.49   0.545% *  0.1167% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HA    LEU  104  16.01 +/- 3.42   0.464% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    LEU  104  16.35 +/- 3.37   0.888% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1269 (1.53, 4.32, 55.17 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.74, residual support = 215.5:
    * O T HG    LEU  104 - HA    LEU  104   3.19 +/- 0.42  84.332% * 99.5259% (1.00  10.0 10.00   5.74 215.53) =  99.987%  kept
          HB3   LYS+ 121 - HA    LEU  104  14.65 +/- 8.65   7.786% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.009%
          HD2   LYS+ 121 - HA    LEU  104  14.95 +/- 8.75   4.599% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - HA    LEU  104  18.88 +/- 3.30   0.592% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HA    LEU  104  20.19 +/- 3.70   0.587% *  0.0960% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - HA    LEU  104  20.30 +/- 3.75   0.562% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HA    LEU  104  19.75 +/- 4.08   0.480% *  0.0374% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU  104  18.08 +/- 3.64   0.731% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  104  21.99 +/- 2.92   0.331% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1270 (0.60, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 5.3, residual support = 215.4:
    *   T QD1   LEU  104 - HA    LEU  104   3.70 +/- 0.48  86.075% * 98.8828% (0.96 10.00   5.31 215.53) =  99.957%  kept
        T QD1   LEU   73 - HA    LEU  104  14.23 +/- 3.65   3.900% *  0.4212% (0.41 10.00   0.02   0.02) =   0.019%
        T QD1   LEU   63 - HA    LEU  104  13.18 +/- 2.92   3.800% *  0.4212% (0.41 10.00   0.02   0.02) =   0.019%
          QD2   LEU  115 - HA    LEU  104  14.28 +/- 3.16   2.100% *  0.0783% (0.76  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HA    LEU  104  16.42 +/- 3.42   1.634% *  0.0889% (0.87  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - HA    LEU  104  18.92 +/- 3.47   0.836% *  0.0820% (0.80  1.00   0.02   0.02) =   0.001%
          QG2   ILE   89 - HA    LEU  104  14.73 +/- 1.27   1.654% *  0.0255% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.29 A, kept.
 
    Peak 1271 (0.73, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.975, support = 5.65, residual support = 208.7:
    *   T QD2   LEU  104 - HA    LEU  104   2.57 +/- 0.60  81.204% * 77.2039% (1.00 10.00   5.78 215.53) =  96.682%  kept
        T QD1   LEU   98 - HA    LEU  104   6.18 +/- 0.73   9.706% * 22.0523% (0.31 10.00   1.85  11.02) =   3.301%  kept
        T QG2   VAL   18 - HA    LEU  104  16.35 +/- 3.79   1.259% *  0.4371% (0.56 10.00   0.02   0.02) =   0.008%
        T QG1   VAL   41 - HA    LEU  104  11.52 +/- 4.74   2.310% *  0.1528% (0.20 10.00   0.02   0.02) =   0.005%
          QD1   ILE   19 - HA    LEU  104  16.58 +/- 3.57   1.510% *  0.0745% (0.96  1.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - HA    LEU  104  10.14 +/- 2.65   3.154% *  0.0263% (0.34  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HA    LEU  104  16.26 +/- 2.62   0.856% *  0.0530% (0.69  1.00   0.02   0.02) =   0.001%
    Distance limit 2.89 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1272 (4.32, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.865, support = 5.98, residual support = 215.5:
    * O T HA    LEU  104 - HB2   LEU  104   2.95 +/- 0.07  98.234% * 99.7454% (0.87  10.0 10.00   5.98 215.53) =  99.999%  kept
          HA    TRP   87 - HB2   LEU  104  16.08 +/- 2.18   0.722% *  0.0448% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   LEU  104  19.63 +/- 2.57   0.383% *  0.0687% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   LEU  104  23.74 +/- 4.94   0.325% *  0.0764% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   LEU  104  27.09 +/- 5.80   0.336% *  0.0647% (0.56   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1273 (1.04, 1.04, 43.48 ppm):
    1 diagonal assignment:
    *     HB2   LEU  104 - HB2   LEU  104  (0.75)  kept
 
    Peak 1274 (0.86, 1.04, 43.48 ppm):
    6 chemical-shift based assignments, quality = 0.663, support = 5.4, residual support = 215.5:
    * O T HB3   LEU  104 - HB2   LEU  104   1.75 +/- 0.00  96.757% * 99.4463% (0.66  10.0 10.00   5.40 215.53) =  99.997%  kept
          QG1   VAL   70 - HB2   LEU  104  11.41 +/- 4.60   1.250% *  0.1256% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - HB2   LEU  104  13.97 +/- 3.86   1.030% *  0.0535% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB2   LEU  104  14.69 +/- 5.65   0.392% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HB2   LEU  104  14.23 +/- 3.58   0.304% *  0.1167% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU  104  14.32 +/- 3.61   0.267% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1275 (1.53, 1.04, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 5.96, residual support = 215.5:
    * O T HG    LEU  104 - HB2   LEU  104   2.64 +/- 0.27  85.412% * 99.5259% (0.87  10.0 10.00   5.96 215.53) =  99.989%  kept
          HB3   LYS+ 121 - HB2   LEU  104  13.24 +/- 8.71   5.571% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.007%
          HD2   LYS+ 121 - HB2   LEU  104  13.39 +/- 8.82   5.737% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+  74 - HB2   LEU  104  18.06 +/- 3.87   0.829% *  0.0960% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HB2   LEU  104  18.15 +/- 3.71   0.367% *  0.0976% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB2   LEU  104  18.18 +/- 4.19   0.436% *  0.0684% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  104  16.62 +/- 3.72   0.915% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB2   LEU  104  18.23 +/- 4.07   0.446% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  104  19.55 +/- 3.57   0.288% *  0.0248% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1276 (0.60, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.837, support = 5.39, residual support = 215.5:
    * O T QD1   LEU  104 - HB2   LEU  104   2.36 +/- 0.32  91.742% * 98.8828% (0.84  10.0 10.00   5.40 215.53) =  99.972%  kept
        T QD1   LEU   63 - HB2   LEU  104  11.27 +/- 3.31   3.792% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.018%
        T QD1   LEU   73 - HB2   LEU  104  12.68 +/- 3.60   1.800% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.008%
          QD2   LEU  115 - HB2   LEU  104  12.91 +/- 3.62   1.010% *  0.0783% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB2   LEU  104  15.69 +/- 3.00   0.566% *  0.0889% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB2   LEU  104  17.81 +/- 3.40   0.498% *  0.0820% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   LEU  104  13.84 +/- 1.26   0.592% *  0.0255% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1277 (0.73, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.861, support = 6.07, residual support = 213.3:
    * O T QD2   LEU  104 - HB2   LEU  104   2.93 +/- 0.33  73.389% * 93.2770% (0.87  10.0 10.00   6.10 215.53) =  98.886%  kept
          QD1   LEU   98 - HB2   LEU  104   6.27 +/- 0.89  12.874% *  5.8244% (0.27   1.0  1.00   4.05  11.02) =   1.083%  kept
        T QG2   VAL   18 - HB2   LEU  104  14.51 +/- 3.98   1.840% *  0.5281% (0.49   1.0 10.00   0.02   0.02) =   0.014%
        T QG1   VAL   41 - HB2   LEU  104  10.23 +/- 4.62   4.325% *  0.1846% (0.17   1.0 10.00   0.02   0.02) =   0.012%
          QG1   VAL   43 - HB2   LEU  104   8.95 +/- 2.54   5.367% *  0.0318% (0.30   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   19 - HB2   LEU  104  14.92 +/- 3.78   1.420% *  0.0900% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HB2   LEU  104  14.89 +/- 2.24   0.784% *  0.0641% (0.60   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1278 (4.32, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 215.5:
    * O T HA    LEU  104 - HB3   LEU  104   2.41 +/- 0.20  99.156% * 99.7454% (0.76  10.0 10.00   5.31 215.53) =  99.999%  kept
          HA    TRP   87 - HB3   LEU  104  17.22 +/- 2.32   0.330% *  0.0448% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   LEU  104  20.73 +/- 2.77   0.187% *  0.0687% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   LEU  104  24.28 +/- 5.22   0.165% *  0.0764% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   LEU  104  27.57 +/- 6.09   0.162% *  0.0647% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1279 (1.04, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.663, support = 5.4, residual support = 215.5:
    * O T HB2   LEU  104 - HB3   LEU  104   1.75 +/- 0.00  98.808% * 99.7433% (0.66  10.0 10.00   5.40 215.53) =  99.999%  kept
          QG2   VAL  108 - HB3   LEU  104  11.50 +/- 1.05   0.393% *  0.1110% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LEU  104  14.47 +/- 4.13   0.318% *  0.0651% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB3   LEU  104  15.17 +/- 3.91   0.408% *  0.0201% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU  104  20.21 +/- 2.38   0.073% *  0.0605% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1280 (0.86, 0.86, 43.48 ppm):
    1 diagonal assignment:
    *     HB3   LEU  104 - HB3   LEU  104  (0.58)  kept
 
    Peak 1281 (1.53, 0.86, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.24, residual support = 215.5:
    * O T HG    LEU  104 - HB3   LEU  104   2.79 +/- 0.26  79.013% * 99.5259% (0.76  10.0 10.00   5.24 215.53) =  99.980%  kept
          HB3   LYS+ 121 - HB3   LEU  104  13.52 +/- 9.12  12.709% *  0.0995% (0.76   1.0  1.00   0.02   0.02) =   0.016%
          HD2   LYS+ 121 - HB3   LEU  104  13.65 +/- 9.21   5.294% *  0.0307% (0.24   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+  74 - HB3   LEU  104  19.19 +/- 3.91   0.437% *  0.0960% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - HB3   LEU  104  18.83 +/- 4.21   0.591% *  0.0684% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HB3   LEU  104  18.88 +/- 3.84   0.414% *  0.0976% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  33 - HB3   LEU  104  18.98 +/- 4.33   0.437% *  0.0374% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB3   LEU  104  17.45 +/- 4.00   0.788% *  0.0197% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LEU  104  20.53 +/- 3.55   0.317% *  0.0248% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (0.60, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.737, support = 5.0, residual support = 215.5:
    * O T QD1   LEU  104 - HB3   LEU  104   2.50 +/- 0.32  91.652% * 98.8828% (0.74  10.0 10.00   5.00 215.53) =  99.970%  kept
        T QD1   LEU   73 - HB3   LEU  104  13.68 +/- 3.82   4.230% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.020%
        T QD1   LEU   63 - HB3   LEU  104  12.09 +/- 3.29   1.940% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.009%
          QD2   LEU  115 - HB3   LEU  104  13.61 +/- 3.72   0.933% *  0.0783% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB3   LEU  104  16.65 +/- 3.26   0.463% *  0.0889% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  104  18.78 +/- 3.41   0.287% *  0.0820% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB3   LEU  104  14.94 +/- 1.25   0.496% *  0.0255% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1283 (0.73, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.763, support = 5.34, residual support = 215.1:
    * O T QD2   LEU  104 - HB3   LEU  104   2.61 +/- 0.43  84.862% * 96.3853% (0.76  10.0 10.00   5.35 215.53) =  99.785%  kept
          QD1   LEU   98 - HB3   LEU  104   6.81 +/- 0.75   5.913% *  2.6861% (0.24   1.0  1.00   1.81  11.02) =   0.194%  kept
        T QG2   VAL   18 - HB3   LEU  104  15.35 +/- 4.03   1.918% *  0.5457% (0.43   1.0 10.00   0.02   0.02) =   0.013%
        T QG1   VAL   41 - HB3   LEU  104  10.99 +/- 4.75   2.004% *  0.1907% (0.15   1.0 10.00   0.02   0.02) =   0.005%
          QD1   ILE   19 - HB3   LEU  104  15.69 +/- 3.85   2.462% *  0.0930% (0.74   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   43 - HB3   LEU  104  10.09 +/- 2.57   2.220% *  0.0329% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HB3   LEU  104  15.91 +/- 2.50   0.621% *  0.0662% (0.52   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1284 (4.32, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.74, residual support = 215.5:
    * O T HA    LEU  104 - HG    LEU  104   3.19 +/- 0.42  96.483% * 99.7454% (1.00  10.0 10.00   5.74 215.53) =  99.998%  kept
          HA    ALA   12 - HG    LEU  104  26.27 +/- 6.26   1.180% *  0.0647% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - HG    LEU  104  23.07 +/- 5.24   0.731% *  0.0764% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   87 - HG    LEU  104  16.07 +/- 2.42   1.026% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG    LEU  104  19.36 +/- 2.90   0.579% *  0.0687% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1285 (1.04, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 5.96, residual support = 215.5:
    * O T HB2   LEU  104 - HG    LEU  104   2.64 +/- 0.27  97.098% * 99.7433% (0.87  10.0 10.00   5.96 215.53) =  99.998%  kept
          QG2   VAL  108 - HG    LEU  104  11.84 +/- 0.66   1.153% *  0.1110% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - HG    LEU  104  15.22 +/- 3.66   0.751% *  0.0651% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   63 - HG    LEU  104  15.38 +/- 3.84   0.781% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HG    LEU  104  21.15 +/- 2.14   0.217% *  0.0605% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1286 (0.86, 1.53, 26.82 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 5.24, residual support = 215.5:
    * O T HB3   LEU  104 - HG    LEU  104   2.79 +/- 0.26  89.250% * 99.4463% (0.76  10.0 10.00   5.24 215.53) =  99.987%  kept
          QG1   VAL   70 - HG    LEU  104  11.91 +/- 4.78   4.842% *  0.1256% (0.97   1.0  1.00   0.02   0.02) =   0.007%
          QD1   LEU   71 - HG    LEU  104  14.18 +/- 4.07   1.244% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HG    LEU  104  15.95 +/- 5.56   1.211% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - HG    LEU  104  14.24 +/- 3.46   1.200% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - HG    LEU  104  15.04 +/- 3.87   2.254% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1287 (1.53, 1.53, 26.82 ppm):
    1 diagonal assignment:
    *     HG    LEU  104 - HG    LEU  104  (1.00)  kept
 
    Peak 1288 (0.60, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.24, residual support = 215.5:
    * O T QD1   LEU  104 - HG    LEU  104   2.11 +/- 0.02  96.595% * 98.8828% (0.97  10.0 10.00   5.24 215.53) =  99.990%  kept
        T QD1   LEU   63 - HG    LEU  104  12.27 +/- 3.23   1.052% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.005%
        T QD1   LEU   73 - HG    LEU  104  12.68 +/- 3.27   0.920% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.004%
          QG1   VAL   83 - HG    LEU  104  15.39 +/- 3.43   0.417% *  0.0889% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG    LEU  104  14.33 +/- 3.28   0.430% *  0.0783% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  104  17.64 +/- 3.76   0.239% *  0.0820% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG    LEU  104  14.36 +/- 1.40   0.348% *  0.0255% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1289 (0.73, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 5.75, residual support = 214.6:
    * O T QD2   LEU  104 - HG    LEU  104   2.11 +/- 0.02  86.923% * 94.1351% (1.00  10.0 10.00   5.77 215.53) =  99.567%  kept
          QD1   LEU   98 - HG    LEU  104   5.39 +/- 0.99   6.966% *  4.9581% (0.31   1.0  1.00   3.41  11.02) =   0.420%  kept
        T QG2   VAL   18 - HG    LEU  104  14.66 +/- 3.91   0.889% *  0.5329% (0.57   1.0 10.00   0.02   0.02) =   0.006%
        T QG1   VAL   41 - HG    LEU  104   9.67 +/- 4.90   2.341% *  0.1863% (0.20   1.0 10.00   0.02   0.02) =   0.005%
          QG1   VAL   43 - HG    LEU  104   9.17 +/- 2.68   2.018% *  0.0321% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HG    LEU  104  14.62 +/- 3.35   0.569% *  0.0908% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HG    LEU  104  15.55 +/- 2.48   0.294% *  0.0647% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1290 (4.32, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.963, support = 5.3, residual support = 215.5:
    *   T HA    LEU  104 - QD1   LEU  104   3.70 +/- 0.48  73.466% * 99.2875% (0.96 10.00   5.31 215.53) =  99.976%  kept
        T HA    LEU  104 - QD1   LEU   73  14.23 +/- 3.65   3.338% *  0.1829% (0.18 10.00   0.02   0.02) =   0.008%
        T HA    LEU  104 - QD1   LEU   63  13.18 +/- 2.92   3.248% *  0.1829% (0.18 10.00   0.02   0.02) =   0.008%
          HA    GLU-  14 - QD1   LEU  104  18.69 +/- 4.64   1.524% *  0.0760% (0.74  1.00   0.02   0.02) =   0.002%
          HA    ALA   12 - QD1   LEU  104  21.41 +/- 5.34   1.610% *  0.0644% (0.62  1.00   0.02   0.02) =   0.001%
          HA    TRP   87 - QD1   LEU  104  14.11 +/- 2.18   1.794% *  0.0446% (0.43  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QD1   LEU  104  16.87 +/- 2.57   1.089% *  0.0684% (0.66  1.00   0.02   0.02) =   0.001%
          HA    TRP   87 - QD1   LEU   73  12.72 +/- 2.26   4.422% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   73  13.93 +/- 3.25   2.177% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   73  14.00 +/- 2.47   2.125% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   73  17.02 +/- 4.12   2.054% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   63  17.34 +/- 1.84   0.863% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   63  16.23 +/- 1.90   1.072% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   63  18.63 +/- 1.78   0.673% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   63  20.82 +/- 2.34   0.545% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1291 (1.04, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.785, support = 5.31, residual support = 212.1:
    * O T HB2   LEU  104 - QD1   LEU  104   2.36 +/- 0.32  34.243% * 90.4110% (0.84  10.0 10.00   5.40 215.53) =  93.362%  kept
      O T HG    LEU   63 - QD1   LEU   63   2.11 +/- 0.02  44.525% *  3.3619% (0.03  10.0 10.00   5.64 240.53) =   4.514%  kept
        T QD1   ILE  119 - QD1   LEU   63   5.33 +/- 2.31  14.613% *  4.7664% (0.10   1.0 10.00   0.88   0.02) =   2.100%  kept
        T QD1   ILE  119 - QD1   LEU  104  12.26 +/- 3.47   0.378% *  0.5901% (0.55   1.0 10.00   0.02   0.02) =   0.007%
        T HB2   LEU  104 - QD1   LEU   63  11.27 +/- 3.31   1.179% *  0.1665% (0.15   1.0 10.00   0.02   0.02) =   0.006%
        T HG    LEU   63 - QD1   LEU  104  12.12 +/- 3.56   0.574% *  0.1825% (0.17   1.0 10.00   0.02   0.02) =   0.003%
        T QD1   ILE  119 - QD1   LEU   73  12.35 +/- 3.18   0.809% *  0.1087% (0.10   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LEU  104 - QD1   LEU   73  12.68 +/- 3.60   0.515% *  0.1665% (0.15   1.0 10.00   0.02   0.02) =   0.003%
          QG2   VAL  108 - QD1   LEU  104  10.38 +/- 0.76   0.389% *  0.1006% (0.93   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   63 - QD1   LEU   73  11.40 +/- 2.25   0.616% *  0.0336% (0.03   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - QD1   LEU   63  11.02 +/- 2.53   0.663% *  0.0185% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63  11.04 +/- 2.54   0.834% *  0.0101% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   73  12.79 +/- 2.42   0.357% *  0.0185% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  17.54 +/- 2.26   0.087% *  0.0548% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  17.96 +/- 4.28   0.217% *  0.0101% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1292 (0.86, 0.60, 26.08 ppm):
    18 chemical-shift based assignments, quality = 0.688, support = 5.05, residual support = 216.7:
    * O T HB3   LEU  104 - QD1   LEU  104   2.50 +/- 0.32  35.936% * 86.6098% (0.74  10.0 10.00   5.00 215.53) =  92.587%  kept
      O T HB3   LEU   63 - QD1   LEU   63   2.76 +/- 0.25  27.852% *  8.5811% (0.07  10.0 10.00   5.92 240.53) =   7.110%  kept
          QG1   VAL   18 - QD1   LEU   73   6.49 +/- 2.33   4.594% *  1.2870% (0.16   1.0  1.00   1.38   0.75) =   0.176%  kept
        T HB3   LEU   63 - QD1   LEU   73  10.68 +/- 2.11   1.117% *  2.1597% (0.07   1.0 10.00   0.50   0.02) =   0.072%
        T HB3   LEU   63 - QD1   LEU  104  11.81 +/- 3.43   1.047% *  0.4659% (0.40   1.0 10.00   0.02   0.02) =   0.015%
          QG1   VAL   70 - QD1   LEU  104   9.20 +/- 4.09   3.308% *  0.1094% (0.93   1.0  1.00   0.02   0.02) =   0.011%
          QG1   VAL   70 - QD1   LEU   63   5.13 +/- 1.63  12.320% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.007%
        T HB3   LEU  104 - QD1   LEU   73  13.68 +/- 3.82   1.159% *  0.1595% (0.14   1.0 10.00   0.02   0.02) =   0.006%
        T HB3   LEU  104 - QD1   LEU   63  12.09 +/- 3.29   0.778% *  0.1595% (0.14   1.0 10.00   0.02   0.02) =   0.004%
          QG1   VAL   18 - QD1   LEU  104  11.50 +/- 3.03   1.065% *  0.1016% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU  123 - QD1   LEU   63   7.45 +/- 2.37   4.498% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   71 - QD1   LEU  104  11.25 +/- 3.44   0.703% *  0.1123% (0.96   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - QD1   LEU  104  12.68 +/- 5.00   0.691% *  0.1123% (0.96   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - QD1   LEU   63   7.63 +/- 2.15   1.812% *  0.0187% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QD1   LEU   73   8.30 +/- 0.80   1.142% *  0.0207% (0.18   1.0  1.00   0.02   1.76) =   0.001%
          QG1   VAL   70 - QD1   LEU   73   9.10 +/- 0.98   0.881% *  0.0201% (0.17   1.0  1.00   0.02   0.75) =   0.001%
          QD1   LEU   71 - QD1   LEU   63   9.59 +/- 1.07   0.668% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  14.18 +/- 3.21   0.430% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1293 (1.53, 0.60, 26.08 ppm):
    27 chemical-shift based assignments, quality = 0.965, support = 5.24, residual support = 215.5:
    * O T HG    LEU  104 - QD1   LEU  104   2.11 +/- 0.02  56.128% * 98.9901% (0.97  10.0 10.00   5.24 215.53) =  99.982%  kept
          HB3   LYS+ 121 - QD1   LEU  104  11.83 +/- 7.28   3.449% *  0.0990% (0.97   1.0  1.00   0.02   0.02) =   0.006%
        T HG    LEU  104 - QD1   LEU   73  12.68 +/- 3.27   0.551% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU  104 - QD1   LEU   63  12.27 +/- 3.23   0.467% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - QD1   LEU  104  11.74 +/- 7.38   2.432% *  0.0306% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QD1   LEU  104  15.23 +/- 3.61   0.753% *  0.0955% (0.93   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QD1   LEU   63   8.35 +/- 2.82   4.073% *  0.0176% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QD1   LEU   73   5.07 +/- 2.09  15.164% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - QD1   LEU   63   9.50 +/- 3.38   1.870% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - QD1   LEU   63   7.19 +/- 1.39   2.415% *  0.0125% (0.12   1.0  1.00   0.02   6.70) =   0.001%
          HD3   LYS+  74 - QD1   LEU   73   8.49 +/- 0.88   1.199% *  0.0176% (0.17   1.0  1.00   0.02  42.48) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   63   8.88 +/- 3.06   3.482% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU  104  15.07 +/- 3.80   0.263% *  0.0680% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU  104  16.68 +/- 3.14   0.153% *  0.0970% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU  104  14.17 +/- 3.48   0.357% *  0.0372% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   73   8.20 +/- 2.65   1.797% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  104  13.40 +/- 3.12   0.576% *  0.0196% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   63  12.30 +/- 2.83   0.561% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   63   7.89 +/- 1.05   1.304% *  0.0045% (0.04   1.0  1.00   0.02   3.61) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   73  16.06 +/- 4.17   0.298% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  104  16.36 +/- 3.31   0.151% *  0.0247% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   63  12.45 +/- 2.64   1.032% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   73  18.21 +/- 3.80   0.207% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   73  13.35 +/- 1.24   0.250% *  0.0125% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   73  15.55 +/- 4.23   0.402% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   73  11.55 +/- 1.61   0.409% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   63  14.89 +/- 2.67   0.257% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1294 (0.60, 0.60, 26.08 ppm):
    3 diagonal assignments:
    *     QD1   LEU  104 - QD1   LEU  104  (0.93)  kept
          QD1   LEU   73 - QD1   LEU   73  (0.07)  kept
          QD1   LEU   63 - QD1   LEU   63  (0.07)  kept
 
    Peak 1295 (0.73, 0.60, 26.08 ppm):
    21 chemical-shift based assignments, quality = 0.961, support = 5.46, residual support = 214.4:
    * O T QD2   LEU  104 - QD1   LEU  104   2.06 +/- 0.06  52.669% * 92.0523% (0.97  10.0 10.00   5.47 215.53) =  99.434%  kept
          QD1   LEU   98 - QD1   LEU  104   5.37 +/- 0.84   3.789% *  6.2907% (0.30   1.0  1.00   4.43  11.02) =   0.489%  kept
        T QG2   VAL   18 - QD1   LEU  104  11.77 +/- 3.64   2.262% *  0.5212% (0.55   1.0 10.00   0.02   0.02) =   0.024%
        T QG1   VAL   41 - QD1   LEU  104   7.89 +/- 3.97   4.222% *  0.1822% (0.19   1.0 10.00   0.02   0.02) =   0.016%
          QG1   VAL   43 - QD1   LEU   73   6.18 +/- 2.13   4.685% *  0.0998% (0.06   1.0  1.00   0.35   2.38) =   0.010%
        T QG2   VAL   18 - QD1   LEU   73   6.90 +/- 1.71   2.468% *  0.0960% (0.10   1.0 10.00   0.02   0.75) =   0.005%
        T QG1   VAL   41 - QD1   LEU   73   6.46 +/- 2.39   6.320% *  0.0336% (0.04   1.0 10.00   0.02   0.02) =   0.004%
        T QD2   LEU  104 - QD1   LEU   73  10.85 +/- 2.91   1.076% *  0.1695% (0.18   1.0 10.00   0.02   0.02) =   0.004%
        T QG2   VAL   18 - QD1   LEU   63   7.49 +/- 1.87   1.578% *  0.0960% (0.10   1.0 10.00   0.02   0.02) =   0.003%
          QD1   ILE   19 - QD1   LEU  104  11.79 +/- 3.16   1.408% *  0.0888% (0.93   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   19 - QD1   LEU   73   5.82 +/- 2.06   7.446% *  0.0164% (0.17   1.0  1.00   0.02   5.31) =   0.002%
        T QD2   LEU  104 - QD1   LEU   63  10.71 +/- 2.37   0.650% *  0.1695% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - QD1   LEU  104   7.95 +/- 2.30   2.497% *  0.0314% (0.33   1.0  1.00   0.02   0.02) =   0.002%
        T QG1   VAL   41 - QD1   LEU   63   9.07 +/- 1.63   0.850% *  0.0336% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   46 - QD1   LEU   73   8.82 +/- 2.10   1.620% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU  104  12.99 +/- 1.98   0.280% *  0.0632% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   63   7.94 +/- 1.96   1.413% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   7.83 +/- 1.83   2.054% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   63  10.54 +/- 1.57   0.539% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   73   9.27 +/- 2.87   1.486% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   63  11.13 +/- 2.81   0.688% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1296 (4.32, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.998, support = 5.78, residual support = 215.5:
    *   T HA    LEU  104 - QD2   LEU  104   2.57 +/- 0.60  84.764% * 99.4871% (1.00 10.00   5.78 215.53) =  99.993%  kept
        T HA    LEU  104 - QG2   VAL   18  16.35 +/- 3.79   1.334% *  0.1529% (0.15 10.00   0.02   0.02) =   0.002%
        T HA    LEU  104 - QG1   VAL   41  11.52 +/- 4.74   2.429% *  0.0534% (0.05 10.00   0.02   0.02) =   0.002%
          HA    ASP-  86 - QD2   LEU  104  16.52 +/- 3.09   0.820% *  0.0685% (0.69  1.00   0.02   0.02) =   0.001%
          HA    TRP   87 - QD2   LEU  104  13.79 +/- 2.51   1.140% *  0.0447% (0.45  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QD2   LEU  104  19.27 +/- 4.14   0.467% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD2   LEU  104  21.91 +/- 5.07   0.418% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   VAL   18   9.83 +/- 1.05   2.210% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   VAL   18  13.66 +/- 1.89   0.949% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG1   VAL   41  14.14 +/- 3.63   1.350% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG1   VAL   41  13.74 +/- 3.46   1.759% *  0.0024% (0.02  1.00   0.02   0.24) =   0.000%
          HA    ASP-  86 - QG2   VAL   18  18.16 +/- 2.13   0.350% *  0.0105% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG1   VAL   41  15.57 +/- 3.78   0.916% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG2   VAL   18  16.74 +/- 2.78   0.468% *  0.0069% (0.07  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG1   VAL   41  17.10 +/- 3.63   0.628% *  0.0035% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1297 (1.04, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 6.1, residual support = 215.5:
    * O T HB2   LEU  104 - QD2   LEU  104   2.93 +/- 0.33  72.601% * 99.4846% (0.87  10.0 10.00   6.10 215.53) =  99.987%  kept
        T HB2   LEU  104 - QG2   VAL   18  14.51 +/- 3.98   1.801% *  0.1529% (0.13   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   LEU  104 - QG1   VAL   41  10.23 +/- 4.62   4.413% *  0.0534% (0.05   1.0 10.00   0.02   0.02) =   0.003%
          QG2   VAL  108 - QD2   LEU  104  10.31 +/- 0.84   1.898% *  0.1107% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE  119 - QD2   LEU  104  13.23 +/- 2.66   1.168% *  0.0649% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - QG2   VAL   18  11.17 +/- 2.86   5.956% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   63 - QD2   LEU  104  13.41 +/- 2.78   1.344% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD2   LEU  104  18.24 +/- 1.98   0.348% *  0.0603% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   VAL   18  14.96 +/- 2.68   1.226% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG2   VAL   18   8.71 +/- 2.49   4.527% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG1   VAL   41  13.21 +/- 1.92   1.031% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG2   VAL   18  17.77 +/- 3.16   0.457% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   41  13.30 +/- 1.76   1.023% *  0.0035% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   41  11.27 +/- 1.68   1.915% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   41  19.29 +/- 2.24   0.291% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1298 (0.86, 0.73, 22.45 ppm):
    18 chemical-shift based assignments, quality = 0.616, support = 5.03, residual support = 182.5:
    * O T HB3   LEU  104 - QD2   LEU  104   2.61 +/- 0.43  27.562% * 83.2950% (0.76  10.0 10.00   5.35 215.53) =  76.385%  kept
      O T QG1   VAL   18 - QG2   VAL   18   2.05 +/- 0.06  47.158% * 15.0201% (0.14  10.0 10.00   4.00  75.99) =  23.567%  kept
          QD1   LEU   71 - QG1   VAL   41   6.32 +/- 2.07  11.017% *  0.0461% (0.05   1.0  1.00   0.16   0.79) =   0.017%
        T QG1   VAL   18 - QD2   LEU  104  12.27 +/- 2.77   0.477% *  0.9775% (0.90   1.0 10.00   0.02   0.02) =   0.015%
          QG1   VAL   70 - QD2   LEU  104  10.19 +/- 3.67   1.086% *  0.1052% (0.97   1.0  1.00   0.02   0.02) =   0.004%
        T QG1   VAL   18 - QG1   VAL   41   7.87 +/- 2.18   1.722% *  0.0525% (0.05   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   LEU  104 - QG2   VAL   18  15.35 +/- 4.03   0.371% *  0.1280% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - QD2   LEU  104  11.83 +/- 3.16   0.392% *  0.1080% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QG2   VAL   18   7.07 +/- 2.36   2.589% *  0.0162% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QD2   LEU  104  13.71 +/- 4.26   0.318% *  0.1080% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU  104 - QG1   VAL   41  10.99 +/- 4.75   0.616% *  0.0447% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QG2   VAL   18   7.70 +/- 2.21   1.346% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QD2   LEU  104  13.08 +/- 2.81   0.367% *  0.0448% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QG2   VAL   18  12.42 +/- 3.43   0.888% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG1   VAL   41   6.63 +/- 1.35   2.167% *  0.0056% (0.05   1.0  1.00   0.02   2.62) =   0.000%
          HB3   LEU   63 - QG2   VAL   18   8.27 +/- 2.58   1.284% *  0.0069% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  14.33 +/- 2.72   0.190% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  10.54 +/- 1.69   0.453% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1299 (1.53, 0.73, 22.45 ppm):
    27 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 215.5:
    * O T HG    LEU  104 - QD2   LEU  104   2.11 +/- 0.02  51.829% * 98.9561% (1.00  10.0 10.00   5.77 215.53) =  99.969%  kept
          HG2   LYS+  65 - QG2   VAL   18   7.58 +/- 4.52  11.967% *  0.0556% (0.04   1.0  1.00   0.29   0.02) =   0.013%
          QD    LYS+  66 - QG2   VAL   18   8.93 +/- 3.07   1.525% *  0.2140% (0.11   1.0  1.00   0.41   0.02) =   0.006%
          HD3   LYS+  74 - QG2   VAL   18   6.23 +/- 2.58  11.531% *  0.0147% (0.15   1.0  1.00   0.02   1.37) =   0.003%
          HB3   LYS+ 121 - QD2   LEU  104  12.74 +/- 6.64   1.123% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T HG    LEU  104 - QG1   VAL   41   9.67 +/- 4.90   1.456% *  0.0532% (0.05   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU  104 - QG2   VAL   18  14.66 +/- 3.91   0.389% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QG1   VAL   41   8.85 +/- 2.70   3.560% *  0.0153% (0.01   1.0  1.00   0.29   0.02) =   0.001%
          HD2   LYS+ 121 - QD2   LEU  104  12.72 +/- 6.79   1.016% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QD2   LEU  104  16.10 +/- 3.27   0.261% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG2   VAL   18   8.03 +/- 1.90   8.261% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  16.29 +/- 3.21   0.189% *  0.0680% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU  104  17.07 +/- 2.60   0.123% *  0.0970% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD2   LEU  104  14.45 +/- 3.25   0.237% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG2   VAL   18  10.29 +/- 2.80   1.442% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  13.73 +/- 3.07   0.375% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG2   VAL   18  15.10 +/- 4.25   0.332% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG1   VAL   41   7.27 +/- 1.54   1.980% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  17.65 +/- 2.58   0.111% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG1   VAL   41  11.99 +/- 2.05   0.432% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG2   VAL   18  14.50 +/- 3.83   0.449% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG1   VAL   41  15.26 +/- 4.40   0.286% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG2   VAL   18  18.88 +/- 3.13   0.101% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG1   VAL   41  13.20 +/- 1.34   0.229% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG1   VAL   41  14.78 +/- 4.27   0.457% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG1   VAL   41  18.86 +/- 2.05   0.085% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QG1   VAL   41  13.47 +/- 2.06   0.254% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1300 (0.60, 0.73, 22.45 ppm):
    21 chemical-shift based assignments, quality = 0.965, support = 5.46, residual support = 215.5:
    * O T QD1   LEU  104 - QD2   LEU  104   2.06 +/- 0.06  67.444% * 98.4528% (0.97  10.0 10.00   5.47 215.53) =  99.965%  kept
        T QD1   LEU   73 - QD2   LEU  104  10.85 +/- 2.91   1.365% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.009%
        T QD1   LEU  104 - QG2   VAL   18  11.77 +/- 3.64   2.863% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.007%
        T QD1   LEU   63 - QD2   LEU  104  10.71 +/- 2.37   0.827% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.005%
        T QD1   LEU  104 - QG1   VAL   41   7.89 +/- 3.97   5.364% *  0.0529% (0.05   1.0 10.00   0.02   0.02) =   0.004%
        T QD1   LEU   73 - QG2   VAL   18   6.90 +/- 1.71   3.135% *  0.0644% (0.06   1.0 10.00   0.02   0.75) =   0.003%
        T QD1   LEU   73 - QG1   VAL   41   6.46 +/- 2.39   8.026% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.003%
        T QD1   LEU   63 - QG2   VAL   18   7.49 +/- 1.87   2.027% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - QD2   LEU  104  13.20 +/- 3.31   0.479% *  0.0885% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - QD2   LEU  104  12.49 +/- 2.42   0.397% *  0.0780% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   9.07 +/- 1.63   1.086% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU  104  15.11 +/- 3.48   0.267% *  0.0817% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD2   LEU  104  12.45 +/- 1.60   0.406% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL   41  11.57 +/- 4.21   1.998% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG2   VAL   18  11.19 +/- 1.99   0.573% *  0.0126% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   18  11.80 +/- 2.45   0.574% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG2   VAL   18  11.96 +/- 1.58   0.415% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG1   VAL   41  10.97 +/- 3.42   0.909% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG2   VAL   18  11.81 +/- 2.23   0.607% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG1   VAL   41  13.09 +/- 1.94   0.351% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG1   VAL   41  11.31 +/- 1.93   0.888% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1301 (0.73, 0.73, 22.45 ppm):
    3 diagonal assignments:
    *     QD2   LEU  104 - QD2   LEU  104  (1.00)  kept
          QG2   VAL   18 - QG2   VAL   18  (0.09)  kept
          QG1   VAL   41 - QG1   VAL   41  (0.01)  kept
 
    Peak 1302 (4.80, 4.80, 54.18 ppm):
    1 diagonal assignment:
    *     HA    ASP- 105 - HA    ASP- 105  (1.00)  kept
 
    Peak 1303 (2.23, 4.80, 54.18 ppm):
    9 chemical-shift based assignments, quality = 0.946, support = 3.14, residual support = 41.3:
    * O T HB2   ASP- 105 - HA    ASP- 105   2.67 +/- 0.21  93.010% * 99.5527% (0.95  10.0 10.00   3.14  41.30) =  99.996%  kept
          HB2   MET   96 - HA    ASP- 105   8.84 +/- 0.54   2.737% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU- 100 - HA    ASP- 105  13.92 +/- 1.58   0.913% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    ASP- 105  20.56 +/- 3.30   0.332% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP- 105  14.26 +/- 4.88   1.306% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    ASP- 105  16.24 +/- 3.79   0.688% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP- 105  19.85 +/- 0.91   0.237% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP- 105  23.04 +/- 3.55   0.235% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    ASP- 105  19.75 +/- 4.33   0.543% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1304 (4.80, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.14, residual support = 41.3:
    * O T HA    ASP- 105 - HB2   ASP- 105   2.67 +/- 0.21  98.638% * 99.7814% (0.95  10.0 10.00   3.14  41.30) =  99.999%  kept
          HB    THR   23 - HB2   ASP- 105  23.19 +/- 4.80   0.347% *  0.0895% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - HB2   ASP- 105  21.84 +/- 2.93   0.254% *  0.0763% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB2   ASP- 105  21.71 +/- 4.92   0.507% *  0.0374% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - HB2   ASP- 105  22.20 +/- 2.85   0.254% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1305 (2.23, 2.23, 47.73 ppm):
    1 diagonal assignment:
    *     HB2   ASP- 105 - HB2   ASP- 105  (0.89)  kept
 
    Peak 1306 (5.63, 5.63, 56.31 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 106 - HA    LYS+ 106  (1.00)  kept
 
    Peak 1307 (1.87, 5.63, 56.31 ppm):
    13 chemical-shift based assignments, quality = 0.996, support = 6.27, residual support = 132.3:
    * O T QB    LYS+ 106 - HA    LYS+ 106   2.44 +/- 0.15  81.052% * 82.4446% (1.00  10.0 10.00   6.31 135.48) =  97.200%  kept
          HB3   ASP- 105 - HA    LYS+ 106   4.80 +/- 0.39  11.343% * 16.9339% (0.87   1.0  1.00   4.74  22.22) =   2.794%  kept
          HB    ILE  103 - HA    LYS+ 106   7.44 +/- 0.46   3.068% *  0.0660% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLN   90 - HA    LYS+ 106  14.66 +/- 2.29   0.553% *  0.0808% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HA    LYS+ 106  14.59 +/- 3.67   0.581% *  0.0630% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HA    LYS+ 106  17.17 +/- 2.57   0.433% *  0.0823% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    LYS+ 106  18.84 +/- 4.84   0.436% *  0.0630% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+ 106  16.93 +/- 4.33   1.296% *  0.0127% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+ 106  19.45 +/- 3.14   0.221% *  0.0689% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+ 106  19.39 +/- 2.05   0.177% *  0.0780% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+ 106  14.38 +/- 0.96   0.430% *  0.0229% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+ 106  20.21 +/- 3.74   0.169% *  0.0500% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+ 106  17.92 +/- 2.15   0.241% *  0.0339% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1309 (1.56, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.09, residual support = 135.5:
    * O T HG2   LYS+ 106 - HA    LYS+ 106   3.22 +/- 0.55  93.727% * 98.2431% (1.00  10.0 10.00   5.09 135.48) =  99.986%  kept
        T QG    LYS+  81 - HA    LYS+ 106  17.35 +/- 2.73   0.913% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.010%
        T HG2   LYS+  33 - HA    LYS+ 106  20.74 +/- 2.17   0.485% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.004%
          HB3   LYS+ 111 - HA    LYS+ 106  12.21 +/- 3.04   3.722% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HA    LYS+ 106  16.47 +/- 3.26   1.152% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1310 (1.70, 5.63, 56.31 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 4.8, residual support = 135.4:
    *   T QD    LYS+ 106 - HA    LYS+ 106   3.44 +/- 0.51  79.344% * 98.5750% (1.00 10.00   4.80 135.48) =  99.950%  kept
        T QD    LYS+  99 - HA    LYS+ 106  11.30 +/- 0.99   3.051% *  0.9836% (1.00 10.00   0.02   0.02) =   0.038%
          QG1   ILE   56 - HA    LYS+ 106  11.92 +/- 3.18   3.872% *  0.0480% (0.49  1.00   0.02   0.02) =   0.002%
          HB2   LEU   73 - HA    LYS+ 106  15.50 +/- 2.95   1.991% *  0.0932% (0.95  1.00   0.02   0.02) =   0.002%
          HD2   LYS+ 111 - HA    LYS+ 106  13.32 +/- 2.44   2.030% *  0.0716% (0.73  1.00   0.02   0.02) =   0.002%
          HB3   MET   92 - HA    LYS+ 106  13.71 +/- 0.81   1.497% *  0.0823% (0.84  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  99 - HA    LYS+ 106  11.17 +/- 0.84   2.748% *  0.0370% (0.38  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HA    LYS+ 106  12.92 +/- 0.87   1.749% *  0.0405% (0.41  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HA    LYS+ 106  11.51 +/- 1.22   2.791% *  0.0246% (0.25  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HA    LYS+ 106  17.83 +/- 4.51   0.926% *  0.0442% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1311 (2.98, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 0.969, support = 5.04, residual support = 121.3:
    *   T QE    LYS+ 106 - HA    LYS+ 106   4.43 +/- 0.36  50.943% * 86.6598% (1.00 10.00   5.15 135.48) =  88.543%  kept
          HB2   PHE   97 - HA    LYS+ 106   4.78 +/- 0.79  43.286% * 13.1870% (0.73  1.00   4.19  11.55) =  11.449%  kept
          HB3   PHE   60 - HA    LYS+ 106  13.11 +/- 3.32   3.778% *  0.0820% (0.95  1.00   0.02   0.02) =   0.006%
          HB3   TRP   27 - HA    LYS+ 106  16.49 +/- 2.39   1.306% *  0.0595% (0.69  1.00   0.02   0.02) =   0.002%
          HB2   ASN   35 - HA    LYS+ 106  21.18 +/- 3.74   0.686% *  0.0117% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1312 (5.63, 1.87, 37.27 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.31, residual support = 135.5:
    * O T HA    LYS+ 106 - QB    LYS+ 106   2.44 +/- 0.15 100.000% *100.0000% (1.00  10.0 10.00   6.31 135.48) = 100.000%  kept
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1313 (1.87, 1.87, 37.27 ppm):
    1 diagonal assignment:
    *     QB    LYS+ 106 - QB    LYS+ 106  (1.00)  kept
 
    Peak 1315 (1.56, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.38, residual support = 135.5:
    * O T HG2   LYS+ 106 - QB    LYS+ 106   2.28 +/- 0.13  97.554% * 98.2431% (1.00  10.0 10.00   5.38 135.48) =  99.994%  kept
        T QG    LYS+  81 - QB    LYS+ 106  15.70 +/- 2.58   0.396% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   LYS+  33 - QB    LYS+ 106  19.65 +/- 2.24   0.185% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - QB    LYS+ 106  11.33 +/- 2.75   1.365% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+ 106  16.15 +/- 2.97   0.500% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1316 (1.70, 1.87, 37.27 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.08, residual support = 135.4:
    * O T QD    LYS+ 106 - QB    LYS+ 106   2.21 +/- 0.15  92.464% * 97.1433% (1.00  10.0 10.00   5.08 135.48) =  99.971%  kept
        T QD    LYS+  99 - QB    LYS+ 106  10.73 +/- 1.23   0.945% *  0.9693% (1.00   1.0 10.00   0.02   0.02) =   0.010%
        T HD2   LYS+ 111 - QB    LYS+ 106  11.97 +/- 2.35   1.170% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.009%
        T QG1   ILE   56 - QB    LYS+ 106  11.91 +/- 2.97   1.215% *  0.4728% (0.49   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   LEU  123 - QB    LYS+ 106  17.45 +/- 3.73   0.278% *  0.4355% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QB    LYS+ 106  12.64 +/- 1.20   0.561% *  0.0811% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - QB    LYS+ 106  15.24 +/- 2.55   0.427% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QB    LYS+ 106  10.59 +/- 1.10   0.971% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QB    LYS+ 106   9.60 +/- 1.34   1.346% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QB    LYS+ 106  12.17 +/- 1.02   0.623% *  0.0399% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1317 (2.98, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 0.956, support = 4.92, residual support = 115.5:
    *   T QE    LYS+ 106 - QB    LYS+ 106   2.80 +/- 0.56  76.633% * 57.8731% (1.00 10.00   5.44 135.48) =  83.885%  kept
        T HB2   PHE   97 - QB    LYS+ 106   5.54 +/- 0.93  20.270% * 42.0245% (0.73 10.00   2.21  11.55) =  16.112%  kept
          HB3   PHE   60 - QB    LYS+ 106  13.48 +/- 3.16   1.908% *  0.0547% (0.95  1.00   0.02   0.02) =   0.002%
          HB3   TRP   27 - QB    LYS+ 106  15.79 +/- 2.35   0.608% *  0.0398% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+ 106  19.80 +/- 3.82   0.580% *  0.0078% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1324 (5.63, 1.56, 25.37 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.09, residual support = 135.5:
    * O T HA    LYS+ 106 - HG2   LYS+ 106   3.22 +/- 0.55  98.529% * 99.1803% (1.00  10.0 10.00   5.09 135.48) =  99.995%  kept
        T HA    LYS+ 106 - HG2   LYS+  33  20.74 +/- 2.17   0.510% *  0.6015% (0.61   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LYS+ 106 - QG    LYS+  81  17.35 +/- 2.73   0.960% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1325 (1.87, 1.56, 25.37 ppm):
    39 chemical-shift based assignments, quality = 0.751, support = 5.36, residual support = 136.1:
    * O T QB    LYS+ 106 - HG2   LYS+ 106   2.28 +/- 0.13  27.177% * 49.1351% (1.00  10.0 10.00   5.38 135.48) =  53.390%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.25 +/- 0.08  27.854% * 28.1889% (0.57  10.0 10.00   5.63 153.50) =  31.393%  kept
      O T QB    LYS+  81 - QG    LYS+  81   2.10 +/- 0.03  34.096% * 10.7871% (0.22  10.0 10.00   4.78 105.05) =  14.706%  kept
          HB3   ASP- 105 - HG2   LYS+ 106   6.57 +/- 0.76   1.297% *  9.5908% (0.87   1.0  1.00   4.50  22.22) =   0.498%  kept
          HB    ILE  103 - HG2   LYS+ 106   5.73 +/- 1.36   2.654% *  0.0393% (0.80   1.0  1.00   0.02   0.02) =   0.004%
        T QB    LYS+  81 - HG2   LYS+ 106  17.03 +/- 3.20   0.158% *  0.4903% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          HB3   GLN   30 - HG2   LYS+  33   5.49 +/- 1.00   2.612% *  0.0123% (0.25   1.0  1.00   0.02   0.31) =   0.001%
        T QB    LYS+  81 - HG2   LYS+  33  20.56 +/- 4.63   0.092% *  0.2973% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HG2   LYS+ 106  19.68 +/- 2.28   0.047% *  0.4648% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - HG2   LYS+  33  19.65 +/- 2.24   0.047% *  0.2980% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - QG    LYS+  81  15.70 +/- 2.58   0.107% *  0.1081% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  19.55 +/- 4.76   0.112% *  0.1023% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG    LYS+  81   8.64 +/- 2.33   0.931% *  0.0106% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  14.55 +/- 2.79   0.195% *  0.0482% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.50 +/- 1.22   0.234% *  0.0181% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  16.84 +/- 3.48   0.101% *  0.0376% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  21.04 +/- 5.08   0.064% *  0.0376% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  21.34 +/- 3.69   0.057% *  0.0410% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  18.14 +/- 3.56   0.094% *  0.0228% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  11.49 +/- 4.25   0.685% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  19.26 +/- 4.54   0.225% *  0.0076% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  25.12 +/- 4.44   0.055% *  0.0292% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  20.72 +/- 4.37   0.050% *  0.0298% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  20.13 +/- 3.28   0.055% *  0.0258% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  19.50 +/- 3.73   0.059% *  0.0239% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  15.25 +/- 1.55   0.101% *  0.0137% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  24.15 +/- 6.39   0.188% *  0.0066% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  18.40 +/- 2.47   0.059% *  0.0202% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  18.31 +/- 3.77   0.093% *  0.0090% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  25.35 +/- 3.59   0.029% *  0.0228% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  19.39 +/- 3.53   0.074% *  0.0087% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  20.24 +/- 3.13   0.066% *  0.0094% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  28.14 +/- 4.56   0.024% *  0.0249% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  18.61 +/- 2.95   0.069% *  0.0083% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  17.44 +/- 4.12   0.090% *  0.0044% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  22.99 +/- 3.37   0.043% *  0.0083% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  25.64 +/- 3.39   0.025% *  0.0083% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  23.58 +/- 2.87   0.030% *  0.0046% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  20.26 +/- 3.24   0.051% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1327 (1.56, 1.56, 25.37 ppm):
    3 diagonal assignments:
    *     HG2   LYS+ 106 - HG2   LYS+ 106  (1.00)  kept
          HG2   LYS+  33 - HG2   LYS+  33  (0.46)  kept
          QG    LYS+  81 - QG    LYS+  81  (0.22)  kept
 
    Peak 1328 (1.70, 1.56, 25.37 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.16, residual support = 135.4:
    * O T QD    LYS+ 106 - HG2   LYS+ 106   2.43 +/- 0.13  84.036% * 96.6493% (1.00  10.0 10.00   4.16 135.48) =  99.971%  kept
        T QD    LYS+  99 - HG2   LYS+ 106  11.39 +/- 1.49   0.973% *  0.9643% (1.00   1.0 10.00   0.02   0.02) =   0.012%
        T QD    LYS+  99 - HG2   LYS+  33  14.79 +/- 4.68   1.068% *  0.5849% (0.61   1.0 10.00   0.02   0.02) =   0.008%
        T QD    LYS+ 106 - QG    LYS+  81  15.16 +/- 2.79   0.623% *  0.2127% (0.22   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 106 - HG2   LYS+  33  18.90 +/- 1.98   0.208% *  0.5862% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   73 - HG2   LYS+  33  10.66 +/- 2.65   1.596% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  99 - QG    LYS+  81  20.70 +/- 3.69   0.317% *  0.2122% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HG2   LYS+ 106  14.76 +/- 2.55   0.598% *  0.0702% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HG2   LYS+ 106  11.09 +/- 1.51   1.082% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 106  14.73 +/- 1.38   0.441% *  0.0807% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+ 106  13.97 +/- 3.00   0.752% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 106   9.98 +/- 1.29   1.461% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 106  16.54 +/- 2.72   0.378% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QG    LYS+  81  12.01 +/- 3.92   1.810% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 106  14.40 +/- 1.34   0.455% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+  33  16.26 +/- 4.53   0.587% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG    LYS+  81  15.09 +/- 2.13   0.453% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 106  19.98 +/- 4.13   0.203% *  0.0433% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG    LYS+  81  13.78 +/- 3.21   0.698% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  33  25.25 +/- 3.33   0.119% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+  33  21.50 +/- 2.83   0.171% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG    LYS+  81  16.21 +/- 2.59   0.394% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+  33  18.41 +/- 4.09   0.262% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG    LYS+  81  21.76 +/- 4.46   0.443% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QG    LYS+  81  20.79 +/- 4.37   0.227% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  33  25.65 +/- 4.06   0.128% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  33  26.55 +/- 4.67   0.095% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+  33  30.92 +/- 2.50   0.050% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG    LYS+  81  20.11 +/- 4.08   0.277% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG    LYS+  81  26.10 +/- 3.69   0.095% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1329 (2.98, 1.56, 25.37 ppm):
    15 chemical-shift based assignments, quality = 0.997, support = 4.47, residual support = 134.0:
    * O T QE    LYS+ 106 - HG2   LYS+ 106   2.41 +/- 0.41  78.379% * 92.2328% (1.00  10.0 10.00   4.50 135.48) =  98.846%  kept
          HB2   PHE   97 - HG2   LYS+ 106   5.91 +/- 1.10  12.612% *  6.6517% (0.73   1.0  1.00   1.99  11.55) =   1.147%  kept
        T QE    LYS+ 106 - HG2   LYS+  33  19.29 +/- 2.48   0.252% *  0.5594% (0.61   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+ 106 - QG    LYS+  81  15.20 +/- 2.93   0.495% *  0.2029% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HG2   LYS+ 106  15.34 +/- 3.37   0.978% *  0.0872% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HG2   LYS+  33   9.48 +/- 1.14   1.834% *  0.0384% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HG2   LYS+ 106  17.00 +/- 2.70   0.393% *  0.0634% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  33   8.32 +/- 0.63   2.614% *  0.0076% (0.08   1.0  1.00   0.02   5.09) =   0.000%
          HB3   PHE   60 - HG2   LYS+  33  19.51 +/- 3.14   0.277% *  0.0529% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  33  18.14 +/- 2.90   0.298% *  0.0406% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QG    LYS+  81  14.66 +/- 4.42   0.827% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QG    LYS+  81  17.31 +/- 3.14   0.311% *  0.0192% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QG    LYS+  81  18.81 +/- 3.44   0.390% *  0.0147% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  21.29 +/- 4.23   0.176% *  0.0125% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  24.09 +/- 5.68   0.163% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1330 (5.63, 1.70, 30.09 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.8, residual support = 135.4:
    *   T HA    LYS+ 106 - QD    LYS+ 106   3.44 +/- 0.51  96.288% * 99.1942% (0.99 10.00   4.80 135.48) =  99.969%  kept
        T HA    LYS+ 106 - QD    LYS+  99  11.30 +/- 0.99   3.712% *  0.8058% (0.81 10.00   0.02   0.02) =   0.031%
    Distance limit 5.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1331 (1.87, 1.70, 30.09 ppm):
    26 chemical-shift based assignments, quality = 0.989, support = 5.06, residual support = 134.3:
    * O T QB    LYS+ 106 - QD    LYS+ 106   2.21 +/- 0.15  71.762% * 83.4431% (0.99  10.0 10.00   5.08 135.48) =  98.953%  kept
          HB3   ASP- 105 - QD    LYS+ 106   6.41 +/- 0.95   4.492% * 13.6401% (0.86   1.0  1.00   3.77  22.22) =   1.013%  kept
          HB    ILE  103 - QD    LYS+ 106   5.60 +/- 1.36   8.782% *  0.0668% (0.79   1.0  1.00   0.02   0.02) =   0.010%
        T QB    LYS+ 106 - QD    LYS+  99  10.73 +/- 1.23   0.736% *  0.6778% (0.81   1.0 10.00   0.02   0.02) =   0.008%
        T HB    ILE   56 - QD    LYS+ 106  14.92 +/- 3.61   0.411% *  0.6377% (0.76   1.0 10.00   0.02   0.02) =   0.004%
          HB3   LYS+  38 - QD    LYS+  99  12.25 +/- 8.32   5.321% *  0.0411% (0.49   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP- 105 - QD    LYS+  99   8.61 +/- 1.15   1.460% *  0.0588% (0.70   1.0  1.00   0.02   0.44) =   0.001%
          HB    ILE  103 - QD    LYS+  99   8.81 +/- 1.07   1.287% *  0.0543% (0.64   1.0  1.00   0.02   0.73) =   0.001%
        T HB    ILE   56 - QD    LYS+  99  20.79 +/- 3.13   0.115% *  0.5180% (0.62   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QD    LYS+ 106  14.94 +/- 2.78   0.567% *  0.0833% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QD    LYS+  99  13.52 +/- 4.27   0.725% *  0.0641% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QD    LYS+ 106  12.67 +/- 2.10   0.502% *  0.0818% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QD    LYS+  99  15.99 +/- 6.81   0.667% *  0.0518% (0.62   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - QD    LYS+  99  14.59 +/- 3.91   0.721% *  0.0279% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+ 106  18.96 +/- 3.86   0.259% *  0.0697% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  99  20.53 +/- 3.79   0.214% *  0.0676% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+ 106  17.64 +/- 1.83   0.157% *  0.0789% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+ 106  18.87 +/- 4.78   0.183% *  0.0638% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+ 106  13.34 +/- 1.86   0.409% *  0.0232% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+ 106  18.74 +/- 3.46   0.177% *  0.0506% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+ 106  16.39 +/- 2.32   0.226% *  0.0343% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  99  21.62 +/- 1.78   0.084% *  0.0664% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+ 106  17.19 +/- 4.16   0.407% *  0.0129% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  99  24.73 +/- 3.77   0.067% *  0.0566% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  99  20.39 +/- 4.19   0.201% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  99  22.54 +/- 1.35   0.070% *  0.0188% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1333 (1.56, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 4.16, residual support = 135.4:
    * O T HG2   LYS+ 106 - QD    LYS+ 106   2.43 +/- 0.13  93.010% * 96.1045% (0.99  10.0 10.00   4.16 135.48) =  99.970%  kept
        T HG2   LYS+ 106 - QD    LYS+  99  11.39 +/- 1.49   1.077% *  0.7807% (0.81   1.0 10.00   0.02   0.02) =   0.009%
        T HG2   LYS+  33 - QD    LYS+  99  14.79 +/- 4.68   1.181% *  0.5966% (0.62   1.0 10.00   0.02   0.02) =   0.008%
        T QG    LYS+  81 - QD    LYS+ 106  15.16 +/- 2.79   0.689% *  0.9525% (0.98   1.0 10.00   0.02   0.02) =   0.007%
        T QG    LYS+  81 - QD    LYS+  99  20.70 +/- 3.69   0.351% *  0.7738% (0.80   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  33 - QD    LYS+ 106  18.90 +/- 1.98   0.230% *  0.7345% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - QD    LYS+ 106  12.32 +/- 3.00   1.464% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  99  17.81 +/- 3.79   1.194% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+ 106  15.76 +/- 3.45   0.623% *  0.0168% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  99  20.96 +/- 3.18   0.181% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1334 (1.70, 1.70, 30.09 ppm):
    2 diagonal assignments:
    *     QD    LYS+ 106 - QD    LYS+ 106  (1.00)  kept
          QD    LYS+  99 - QD    LYS+  99  (0.80)  kept
 
    Peak 1335 (2.98, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.99, support = 3.31, residual support = 135.0:
    * O T QE    LYS+ 106 - QD    LYS+ 106   2.09 +/- 0.03  87.681% * 93.2090% (0.99  10.0 10.00   3.31 135.48) =  99.636%  kept
          HB2   PHE   97 - QD    LYS+ 106   5.88 +/- 0.90   5.048% *  5.6801% (0.72   1.0  1.00   1.68  11.55) =   0.350%  kept
        T QE    LYS+ 106 - QD    LYS+  99  10.80 +/- 1.80   1.118% *  0.7572% (0.81   1.0 10.00   0.02   0.02) =   0.010%
          HB3   PHE   60 - QD    LYS+ 106  13.64 +/- 3.66   1.676% *  0.0882% (0.94   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   97 - QD    LYS+  99   7.43 +/- 1.00   2.400% *  0.0550% (0.58   1.0  1.00   0.02   0.02) =   0.002%
          HB3   TRP   27 - QD    LYS+  99  15.25 +/- 3.71   0.629% *  0.0520% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  15.04 +/- 2.71   0.323% *  0.0640% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+  99  16.93 +/- 3.57   0.266% *  0.0716% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  99  13.94 +/- 6.02   0.697% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 106  19.26 +/- 3.34   0.161% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1336 (5.63, 2.98, 42.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.15, residual support = 135.5:
    *   T HA    LYS+ 106 - QE    LYS+ 106   4.43 +/- 0.36 100.000% *100.0000% (1.00 10.00   5.15 135.48) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1337 (1.87, 2.98, 42.19 ppm):
    13 chemical-shift based assignments, quality = 0.989, support = 5.28, residual support = 126.1:
    *   T QB    LYS+ 106 - QE    LYS+ 106   2.80 +/- 0.56  68.633% * 53.3343% (1.00 10.00   5.44 135.48) =  91.754%  kept
        T HB3   ASP- 105 - QE    LYS+ 106   7.26 +/- 0.84   7.090% * 46.2637% (0.87 10.00   3.56  22.22) =   8.222%  kept
          HB    ILE  103 - QE    LYS+ 106   5.39 +/- 1.36  16.901% *  0.0427% (0.80  1.00   0.02   0.02) =   0.018%
          HB3   GLN   90 - QE    LYS+ 106  12.66 +/- 2.49   1.239% *  0.0523% (0.98  1.00   0.02   0.02) =   0.002%
          QB    LYS+  81 - QE    LYS+ 106  15.00 +/- 2.95   0.832% *  0.0532% (1.00  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - QE    LYS+ 106  15.81 +/- 3.30   0.872% *  0.0408% (0.76  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QE    LYS+ 106  19.60 +/- 3.99   0.606% *  0.0445% (0.84  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QE    LYS+ 106  17.97 +/- 2.30   0.420% *  0.0505% (0.95  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QE    LYS+ 106  19.71 +/- 4.30   0.469% *  0.0408% (0.76  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+ 106  13.69 +/- 2.21   0.983% *  0.0148% (0.28  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+ 106  16.78 +/- 2.78   0.619% *  0.0219% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+ 106  19.06 +/- 3.83   0.363% *  0.0323% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QE    LYS+ 106  18.11 +/- 4.18   0.972% *  0.0082% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1339 (1.56, 2.98, 42.19 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.5, residual support = 135.5:
    * O T HG2   LYS+ 106 - QE    LYS+ 106   2.41 +/- 0.41  96.911% * 98.2431% (1.00  10.0 10.00   4.50 135.48) =  99.991%  kept
        T QG    LYS+  81 - QE    LYS+ 106  15.20 +/- 2.93   0.619% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   LYS+  33 - QE    LYS+ 106  19.29 +/- 2.48   0.333% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.003%
          HD3   LYS+  74 - QE    LYS+ 106  16.50 +/- 3.87   1.184% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+ 106  13.03 +/- 2.55   0.954% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1340 (1.70, 2.98, 42.19 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.31, residual support = 135.5:
    * O T QD    LYS+ 106 - QE    LYS+ 106   2.09 +/- 0.03  93.422% * 98.5861% (0.99  10.0 10.00   3.31 135.48) =  99.985%  kept
        T QD    LYS+  99 - QE    LYS+ 106  10.80 +/- 1.80   1.192% *  0.9925% (1.00   1.0 10.00   0.02   0.02) =   0.013%
          HB3   LYS+  99 - QE    LYS+ 106  10.69 +/- 1.57   1.161% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - QE    LYS+ 106  13.22 +/- 2.80   0.700% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 106  13.31 +/- 2.15   0.499% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QE    LYS+ 106  13.59 +/- 2.33   0.500% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QE    LYS+ 106   8.96 +/- 1.30   1.570% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 106  15.17 +/- 2.75   0.334% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 106  13.27 +/- 1.71   0.446% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 106  18.81 +/- 3.42   0.176% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1341 (2.98, 2.98, 42.19 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 106 - QE    LYS+ 106  (1.00)  kept
 
    Peak 1342 (4.48, 4.48, 62.32 ppm):
    1 diagonal assignment:
    *     HA    VAL  107 - HA    VAL  107  (1.00)  kept
 
    Peak 1343 (2.40, 4.48, 62.32 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 3.31, residual support = 60.2:
    * O T HB    VAL  107 - HA    VAL  107   2.92 +/- 0.12  90.299% * 99.6302% (0.73  10.0 10.00   3.31  60.19) =  99.995%  kept
          QE    LYS+ 112 - HA    VAL  107  11.02 +/- 2.28   4.062% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   45 - HA    VAL  107  10.90 +/- 1.46   2.134% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    VAL  107  18.64 +/- 2.62   0.490% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   32 - HA    VAL  107  22.81 +/- 3.18   0.336% *  0.1345% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HA    VAL  107  11.24 +/- 2.97   2.335% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    VAL  107  19.32 +/- 1.37   0.344% *  0.0272% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1344 (4.48, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 3.31, residual support = 60.2:
    * O T HA    VAL  107 - HB    VAL  107   2.92 +/- 0.12  86.910% * 99.7511% (0.73  10.0 10.00   3.31  60.19) =  99.995%  kept
          HA    ALA  110 - HB    VAL  107   8.13 +/- 2.13   8.668% *  0.0308% (0.22   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   91 - HB    VAL  107  12.98 +/- 1.38   1.199% *  0.0963% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   90 - HB    VAL  107  13.71 +/- 1.74   1.832% *  0.0222% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB    VAL  107  18.94 +/- 1.98   0.366% *  0.0799% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB    VAL  107  15.52 +/- 3.20   1.025% *  0.0197% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1345 (2.40, 2.40, 36.05 ppm):
    1 diagonal assignment:
    *     HB    VAL  107 - HB    VAL  107  (0.53)  kept
 
    Peak 1346 (4.56, 4.56, 62.51 ppm):
    1 diagonal assignment:
    *     HA    VAL  108 - HA    VAL  108  (1.00)  kept
 
    Peak 1347 (2.05, 4.56, 62.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.58, residual support = 65.0:
    * O T HB    VAL  108 - HA    VAL  108   2.66 +/- 0.33  90.017% * 99.4465% (1.00  10.0 10.00   3.58  65.03) =  99.991%  kept
          HB2   PRO   93 - HA    VAL  108   7.66 +/- 2.20   7.750% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.007%
          HB    ILE  119 - HA    VAL  108  14.51 +/- 2.64   0.749% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HA    VAL  108  16.52 +/- 3.66   0.663% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    VAL  108  21.82 +/- 1.76   0.185% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    VAL  108  21.86 +/- 1.24   0.180% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    VAL  108  22.79 +/- 1.83   0.163% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    VAL  108  23.30 +/- 4.06   0.251% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    VAL  108  36.51 +/- 5.03   0.042% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1348 (0.89, 4.56, 62.51 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 65.0:
    * O T QG1   VAL  108 - HA    VAL  108   2.65 +/- 0.13  97.532% * 99.8607% (1.00  10.0 10.00   3.97  65.03) =  99.999%  kept
          HB3   LEU   63 - HA    VAL  108  15.74 +/- 2.73   0.586% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HA    VAL  108  14.88 +/- 1.66   0.636% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    VAL  108  16.93 +/- 3.61   0.619% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HA    VAL  108  16.82 +/- 3.31   0.628% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1349 (1.03, 4.56, 62.51 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 65.0:
    * O T QG2   VAL  108 - HA    VAL  108   2.61 +/- 0.50  95.332% * 99.7938% (1.00  10.0 10.00   3.30  65.03) =  99.997%  kept
          QD1   ILE  119 - HA    VAL  108  11.78 +/- 2.10   1.717% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HA    VAL  108  13.72 +/- 0.65   0.858% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HA    VAL  108  11.34 +/- 1.95   2.093% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.97 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1350 (4.56, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 3.58, residual support = 64.8:
    * O T HA    VAL  108 - HB    VAL  108   2.66 +/- 0.33  80.198% * 96.1482% (1.00  10.0 10.00   3.58  65.03) =  99.537%  kept
          HA1   GLY  109 - HB    VAL  108   5.72 +/- 0.31   9.514% *  3.7057% (0.31   1.0  1.00   2.50   7.43) =   0.455%  kept
          HA    ALA   47 - HB    VAL  108  14.76 +/- 4.46   5.290% *  0.0942% (0.98   1.0  1.00   0.02   0.02) =   0.006%
          HA    CYS   50 - HB    VAL  108  16.68 +/- 5.21   3.464% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - HB    VAL  108  19.44 +/- 5.29   1.534% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1351 (2.05, 2.05, 32.95 ppm):
    1 diagonal assignment:
    *     HB    VAL  108 - HB    VAL  108  (1.00)  kept
 
    Peak 1352 (0.89, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 65.0:
    * O T QG1   VAL  108 - HB    VAL  108   2.13 +/- 0.01  98.833% * 99.8607% (1.00  10.0 10.00   3.74  65.03) = 100.000%  kept
          HB3   LEU   63 - HB    VAL  108  17.05 +/- 2.96   0.281% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HB    VAL  108  15.42 +/- 1.82   0.296% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL  108  17.78 +/- 3.65   0.299% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB    VAL  108  17.73 +/- 3.62   0.291% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1353 (1.03, 2.05, 32.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 65.0:
    * O T QG2   VAL  108 - HB    VAL  108   2.14 +/- 0.01  98.432% * 99.1471% (1.00  10.0 10.00   3.30  65.03) =  99.995%  kept
        T QD1   ILE  119 - HB    VAL  108  13.07 +/- 2.03   0.543% *  0.7200% (0.73   1.0 10.00   0.02   0.02) =   0.004%
          HB2   LEU  104 - HB    VAL  108  13.11 +/- 0.58   0.436% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL  108  13.17 +/- 1.92   0.589% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1354 (4.56, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.985, support = 3.95, residual support = 63.8:
    * O T HA    VAL  108 - QG1   VAL  108   2.65 +/- 0.13  61.569% * 95.2115% (1.00  10.0 10.00   3.97  65.03) =  97.781%  kept
          HA1   GLY  109 - QG1   VAL  108   3.55 +/- 0.43  28.564% *  4.6439% (0.31   1.0  1.00   3.16   7.43) =   2.213%  kept
          HA    ALA   47 - QG1   VAL  108  12.27 +/- 3.56   2.060% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HA    CYS   50 - QG1   VAL  108  13.70 +/- 4.42   3.685% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   49 - QG1   VAL  108  15.87 +/- 4.55   4.122% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1355 (2.05, 0.89, 21.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 65.0:
    * O T HB    VAL  108 - QG1   VAL  108   2.13 +/- 0.01  94.754% * 99.4465% (1.00  10.0 10.00   3.74  65.03) =  99.996%  kept
          HB2   PRO   93 - QG1   VAL  108   8.26 +/- 2.19   3.580% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB2   ARG+  54 - QG1   VAL  108  15.40 +/- 3.55   0.587% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - QG1   VAL  108  13.87 +/- 1.96   0.405% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG1   VAL  108  19.23 +/- 1.64   0.145% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG1   VAL  108  19.95 +/- 1.85   0.126% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG1   VAL  108  20.77 +/- 1.91   0.113% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG1   VAL  108  21.60 +/- 3.87   0.255% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL  108  32.17 +/- 4.42   0.035% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1356 (0.89, 0.89, 21.81 ppm):
    1 diagonal assignment:
    *     QG1   VAL  108 - QG1   VAL  108  (1.00)  kept
 
    Peak 1357 (1.03, 0.89, 21.81 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 65.0:
    * O T QG2   VAL  108 - QG1   VAL  108   2.09 +/- 0.03  97.801% * 99.7938% (1.00  10.0 10.00   3.44  65.03) =  99.999%  kept
          QD1   ILE  119 - QG1   VAL  108  11.48 +/- 1.48   0.704% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - QG1   VAL  108  12.83 +/- 0.58   0.437% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL  108  10.83 +/- 1.69   1.058% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1358 (4.56, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 0.995, support = 3.29, residual support = 64.6:
    * O T HA    VAL  108 - QG2   VAL  108   2.61 +/- 0.50  66.587% * 96.3201% (1.00  10.0 10.00   3.30  65.03) =  99.318%  kept
          HA1   GLY  109 - QG2   VAL  108   5.17 +/- 0.34  12.191% *  3.5336% (0.31   1.0  1.00   2.38   7.43) =   0.667%  kept
          HA    CYS   50 - QG2   VAL  108  13.91 +/- 4.31  13.979% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.007%
          HA    ALA   47 - QG2   VAL  108  12.25 +/- 3.53   4.807% *  0.0944% (0.98   1.0  1.00   0.02   0.02) =   0.007%
          HA    TRP   49 - QG2   VAL  108  16.14 +/- 4.26   2.435% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1359 (2.05, 1.03, 20.80 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 65.0:
    * O T HB    VAL  108 - QG2   VAL  108   2.14 +/- 0.01  95.712% * 98.6316% (1.00  10.0 10.00   3.30  65.03) =  99.992%  kept
        T HB    ILE  119 - QG2   VAL  108  13.19 +/- 2.45   0.544% *  0.9105% (0.92   1.0 10.00   0.02   0.02) =   0.005%
          HB2   PRO   93 - QG2   VAL  108   8.52 +/- 1.81   2.212% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - QG2   VAL  108  15.57 +/- 3.43   0.802% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QG2   VAL  108  17.14 +/- 1.60   0.215% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  108  18.45 +/- 1.59   0.160% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  108  19.32 +/- 1.59   0.139% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  108  20.47 +/- 3.44   0.177% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG2   VAL  108  30.83 +/- 3.92   0.039% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1360 (0.89, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 65.0:
    * O T QG1   VAL  108 - QG2   VAL  108   2.09 +/- 0.03  98.219% * 99.8607% (1.00  10.0 10.00   3.44  65.03) =  99.999%  kept
          HB3   LEU   63 - QG2   VAL  108  14.28 +/- 2.46   0.430% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG2   VAL  108  12.85 +/- 1.66   0.483% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL  108  14.83 +/- 3.03   0.414% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - QG2   VAL  108  14.82 +/- 2.94   0.455% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1361 (1.03, 1.03, 20.80 ppm):
    1 diagonal assignment:
    *     QG2   VAL  108 - QG2   VAL  108  (1.00)  kept
 
    Peak 1362 (4.58, 4.58, 43.34 ppm):
    1 diagonal assignment:
    *     HA1   GLY  109 - HA1   GLY  109  (1.00)  kept
 
    Peak 1363 (3.67, 4.58, 43.34 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 9.32:
    * O T HA2   GLY  109 - HA1   GLY  109   1.75 +/- 0.00  98.898% * 98.9563% (1.00  10.0 10.00   2.00   9.32) =  99.996%  kept
        T HB2   TRP   49 - HA1   GLY  109  16.97 +/- 5.00   0.431% *  0.7924% (0.80   1.0 10.00   0.02   0.02) =   0.003%
          HA    THR  118 - HA1   GLY  109  14.18 +/- 3.39   0.298% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA1   GLY  109  15.87 +/- 3.21   0.206% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA1   GLY  109  16.09 +/- 2.99   0.168% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1364 (4.58, 3.67, 43.34 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 2.0, residual support = 9.31:
    * O T HA1   GLY  109 - HA2   GLY  109   1.75 +/- 0.00  92.670% * 94.0051% (1.00  10.0 10.00   2.00   9.32) =  99.722%  kept
          HA    VAL  108 - HA2   GLY  109   4.40 +/- 0.04   5.851% *  3.9868% (0.31   1.0  1.00   2.75   7.43) =   0.267%  kept
        T HA    CYS   50 - HA2   GLY  109  14.57 +/- 4.69   0.709% *  0.9380% (1.00   1.0 10.00   0.02   0.02) =   0.008%
        T HA    TRP   49 - HA2   GLY  109  17.55 +/- 4.85   0.335% *  0.9072% (0.97   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA   47 - HA2   GLY  109  14.18 +/- 3.53   0.343% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HA2   GLY  109  25.21 +/- 2.63   0.036% *  0.0785% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HA2   GLY  109  20.94 +/- 0.98   0.056% *  0.0458% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1365 (3.67, 3.67, 43.34 ppm):
    1 diagonal assignment:
    *     HA2   GLY  109 - HA2   GLY  109  (1.00)  kept
 
    Peak 1366 (4.46, 4.46, 51.13 ppm):
    1 diagonal assignment:
    *     HA    ALA  110 - HA    ALA  110  (1.00)  kept
 
    Peak 1367 (1.42, 4.46, 51.13 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 1.31, residual support = 9.58:
    * O T QB    ALA  110 - HA    ALA  110   2.13 +/- 0.02  97.241% * 98.4934% (1.00  10.0 10.00   1.31   9.58) =  99.994%  kept
        T QB    ALA   61 - HA    ALA  110  13.72 +/- 2.50   0.493% *  0.9092% (0.92   1.0 10.00   0.02   0.02) =   0.005%
          HB3   LEU   67 - HA    ALA  110  20.39 +/- 4.00   0.323% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ALA  110  18.26 +/- 4.19   0.355% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA  110  20.06 +/- 4.48   0.500% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA  110  21.79 +/- 4.67   0.145% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA  110  20.35 +/- 4.41   0.177% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA  110  17.53 +/- 2.86   0.227% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA  110  19.54 +/- 3.40   0.170% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA  110  25.15 +/- 2.88   0.071% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA  110  16.83 +/- 1.71   0.221% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA  110  23.74 +/- 1.73   0.075% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1368 (4.46, 1.42, 18.06 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 1.31, residual support = 9.56:
    * O T HA    ALA  110 - QB    ALA  110   2.13 +/- 0.02  79.041% * 94.6047% (1.00  10.0 10.00   1.31   9.58) =  99.792%  kept
          HA    PHE   55 - QB    ALA  110  10.33 +/- 3.45   3.397% *  4.3440% (0.87   1.0  1.00   1.06   0.02) =   0.197%  kept
        T HA    ALA  110 - QB    ALA   61  13.72 +/- 2.50   0.402% *  0.7001% (0.74   1.0 10.00   0.02   0.02) =   0.004%
          HA    VAL  107 - QB    ALA  110   7.06 +/- 1.65   6.985% *  0.0292% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   91 - QB    ALA  110   9.20 +/- 2.53   4.422% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   90 - QB    ALA  110  11.52 +/- 1.98   0.781% *  0.0927% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - QB    ALA   61  10.05 +/- 1.63   1.045% *  0.0607% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - QB    ALA   61   9.86 +/- 2.24   2.386% *  0.0195% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   90 - QB    ALA   61  14.91 +/- 3.65   0.446% *  0.0686% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   61  13.36 +/- 2.14   0.416% *  0.0216% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA  110  13.91 +/- 1.84   0.338% *  0.0263% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA   61  14.85 +/- 2.97   0.341% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1369 (1.42, 1.42, 18.06 ppm):
    2 diagonal assignments:
    *     QB    ALA  110 - QB    ALA  110  (1.00)  kept
          QB    ALA   61 - QB    ALA   61  (0.68)  kept
 
    Peak 1370 (4.53, 4.53, 54.74 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 111 - HA    LYS+ 111  (1.00)  kept
 
    Peak 1371 (2.02, 4.53, 54.74 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 7.96, residual support = 314.0:
    * O T HB2   LYS+ 111 - HA    LYS+ 111   2.67 +/- 0.30  81.350% * 97.6969% (1.00  10.0 10.00   7.98 314.87) =  99.734%  kept
          QB    GLU- 114 - HA    LYS+ 111   4.89 +/- 0.66  16.153% *  1.3031% (0.57   1.0  1.00   0.47   1.77) =   0.264%  kept
        T HG3   GLN   30 - HA    LYS+ 111  26.88 +/- 2.96   0.110% *  0.4755% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HA    LYS+ 111  23.63 +/- 3.90   0.355% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LYS+ 111  12.27 +/- 1.04   0.969% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 111  22.46 +/- 4.18   0.414% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 111  27.02 +/- 4.15   0.126% *  0.0968% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 111  28.03 +/- 3.36   0.097% *  0.0968% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 111  29.69 +/- 3.85   0.093% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 111  25.73 +/- 2.81   0.130% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+ 111  26.09 +/- 2.89   0.124% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LYS+ 111  27.45 +/- 1.44   0.081% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1372 (1.33, 4.53, 54.74 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 314.8:
    * O T HG2   LYS+ 111 - HA    LYS+ 111   3.30 +/- 0.48  70.301% * 99.2615% (1.00  10.0 10.00   7.31 314.87) =  99.985%  kept
          HB3   PRO   93 - HA    LYS+ 111   8.15 +/- 3.54  21.815% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.010%
          HB3   ASP-  44 - HA    LYS+ 111  13.97 +/- 2.92   1.320% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HA    LYS+ 111  15.69 +/- 2.35   0.856% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - HA    LYS+ 111  14.94 +/- 2.46   1.046% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    LYS+ 111  21.89 +/- 3.90   0.354% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 111  15.38 +/- 2.73   0.954% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+ 111  14.39 +/- 4.17   1.976% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+ 111  26.53 +/- 3.95   0.297% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 111  19.32 +/- 1.10   0.409% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LYS+ 111  24.64 +/- 1.66   0.204% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 111  20.48 +/- 2.00   0.360% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LYS+ 111  29.70 +/- 2.50   0.108% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1373 (1.22, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 0.983, support = 7.27, residual support = 307.1:
    * O T HG3   LYS+ 111 - HA    LYS+ 111   2.85 +/- 0.74  77.672% * 89.5955% (1.00  10.0 10.00   7.31 314.87) =  97.290%  kept
          HD2   LYS+ 112 - HA    LYS+ 111   6.16 +/- 1.38  19.641% *  9.8541% (0.38   1.0  1.00   5.86  28.75) =   2.706%  kept
        T HG2   LYS+  74 - HA    LYS+ 111  19.14 +/- 3.32   0.522% *  0.3363% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          HG12  ILE   89 - HA    LYS+ 111  15.00 +/- 2.76   0.892% *  0.0888% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HA    LYS+ 111  24.44 +/- 4.47   0.547% *  0.0368% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 111  24.13 +/- 4.61   0.391% *  0.0402% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+ 111  24.07 +/- 1.62   0.190% *  0.0306% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+ 111  26.29 +/- 2.97   0.146% *  0.0177% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1374 (1.69, 4.53, 54.74 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 6.2, residual support = 314.7:
    *   T HD2   LYS+ 111 - HA    LYS+ 111   3.35 +/- 0.74  61.911% * 98.3525% (1.00 10.00   6.21 314.87) =  99.942%  kept
          HG3   PRO   93 - HA    LYS+ 111   8.14 +/- 4.20  28.723% *  0.0853% (0.87  1.00   0.02   0.02) =   0.040%
          HB3   MET   92 - HA    LYS+ 111  10.54 +/- 3.59   4.537% *  0.0964% (0.98  1.00   0.02   0.02) =   0.007%
        T QD    LYS+ 102 - HA    LYS+ 111  21.68 +/- 1.69   0.295% *  0.6756% (0.69 10.00   0.02   0.02) =   0.003%
          QD    LYS+ 106 - HA    LYS+ 111  12.52 +/- 1.67   1.743% *  0.0714% (0.73  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HA    LYS+ 111  18.08 +/- 2.85   0.760% *  0.1518% (0.15 10.00   0.02   0.02) =   0.002%
          HB2   LEU   73 - HA    LYS+ 111  21.53 +/- 3.86   0.663% *  0.0882% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HA    LYS+ 111  17.47 +/- 1.20   0.564% *  0.0882% (0.90  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HA    LYS+ 111  26.54 +/- 2.80   0.158% *  0.3036% (0.31 10.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HA    LYS+ 111  21.34 +/- 1.71   0.278% *  0.0676% (0.69  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  21.90 +/- 3.26   0.367% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1375 (1.64, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 314.8:
    *   T HD3   LYS+ 111 - HA    LYS+ 111   4.05 +/- 0.71  78.917% * 98.5544% (1.00 10.00   6.21 314.87) =  99.969%  kept
          QB    ALA   57 - HA    LYS+ 111  10.81 +/- 3.02  14.327% *  0.0983% (1.00  1.00   0.02   0.02) =   0.018%
        T QD    LYS+  65 - HA    LYS+ 111  18.08 +/- 2.85   1.699% *  0.2457% (0.25 10.00   0.02   0.02) =   0.005%
        T QD    LYS+  33 - HA    LYS+ 111  26.85 +/- 2.47   0.386% *  0.8839% (0.90 10.00   0.02   0.02) =   0.004%
          HD2   LYS+  74 - HA    LYS+ 111  19.78 +/- 3.77   1.309% *  0.0823% (0.84  1.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HA    LYS+ 111  18.51 +/- 1.35   1.019% *  0.0884% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+ 111  15.58 +/- 1.30   1.635% *  0.0274% (0.28  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    LYS+ 111  21.90 +/- 3.26   0.708% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1376 (3.06, 4.53, 54.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 314.9:
    *   T QE    LYS+ 111 - HA    LYS+ 111   3.32 +/- 0.55  95.055% * 99.8490% (1.00 10.00   5.62 314.87) =  99.995%  kept
          HB2   PHE   45 - HA    LYS+ 111  12.78 +/- 2.71   4.666% *  0.0945% (0.95  1.00   0.02   0.02) =   0.005%
          HB2   CYS   21 - HA    LYS+ 111  25.38 +/- 2.41   0.279% *  0.0565% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1377 (4.53, 2.02, 33.52 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.98, residual support = 314.9:
    * O T HA    LYS+ 111 - HB2   LYS+ 111   2.67 +/- 0.30  97.348% * 99.7221% (1.00  10.0 10.00   7.98 314.87) =  99.998%  kept
          HA    PRO   52 - HB2   LYS+ 111  12.78 +/- 3.82   2.325% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+ 111 - HG3   GLN   30  26.88 +/- 2.96   0.133% *  0.2004% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG3   GLN   30  25.98 +/- 3.88   0.195% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1378 (2.02, 2.02, 33.52 ppm):
    2 diagonal assignments:
    *     HB2   LYS+ 111 - HB2   LYS+ 111  (1.00)  kept
          HG3   GLN   30 - HG3   GLN   30  (0.10)  kept
 
    Peak 1379 (1.33, 2.02, 33.52 ppm):
    26 chemical-shift based assignments, quality = 0.997, support = 7.3, residual support = 313.8:
    * O T HG2   LYS+ 111 - HB2   LYS+ 111   2.82 +/- 0.18  67.959% * 94.3597% (1.00  10.0 10.00   7.31 314.87) =  99.599%  kept
          HB2   LEU   31 - HG3   GLN   30   7.40 +/- 0.79   5.428% *  4.6263% (0.20   1.0  1.00   4.92  51.62) =   0.390%  kept
          HB3   PRO   93 - HB2   LYS+ 111   9.35 +/- 3.39  14.933% *  0.0291% (0.31   1.0  1.00   0.02   0.02) =   0.007%
          HB3   ASP-  44 - HB2   LYS+ 111  14.77 +/- 3.11   0.795% *  0.0685% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HB2   LYS+ 111  16.29 +/- 2.36   0.511% *  0.0788% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - HB2   LYS+ 111  15.39 +/- 2.52   0.506% *  0.0423% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   GLN   30  13.40 +/- 2.23   1.047% *  0.0152% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+ 111  16.19 +/- 2.77   0.490% *  0.0322% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+ 111  22.90 +/- 3.94   0.175% *  0.0871% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   GLN   30  27.98 +/- 2.53   0.077% *  0.1897% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   GLN   30  15.58 +/- 4.93   0.772% *  0.0175% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+ 111  18.87 +/- 1.57   0.243% *  0.0534% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+ 111  15.39 +/- 4.23   0.861% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+ 111  26.93 +/- 3.75   0.126% *  0.0935% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   GLN   30  14.66 +/- 2.55   0.715% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   LYS+ 111  24.58 +/- 2.89   0.113% *  0.0846% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   GLN   30  16.67 +/- 4.07   0.554% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   GLN   30  15.26 +/- 2.88   0.584% *  0.0158% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+ 111  20.61 +/- 2.97   0.200% *  0.0423% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   GLN   30  14.98 +/- 2.62   0.628% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLN   30  13.27 +/- 2.91   1.768% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   LYS+ 111  29.65 +/- 2.95   0.068% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   GLN   30  15.47 +/- 2.97   0.633% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLN   30  18.25 +/- 2.32   0.313% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   GLN   30  22.62 +/- 4.56   0.230% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   GLN   30  20.93 +/- 3.22   0.270% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1380 (1.22, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 0.992, support = 7.27, residual support = 311.2:
    * O T HG3   LYS+ 111 - HB2   LYS+ 111   2.84 +/- 0.23  64.274% * 88.4036% (1.00  10.0 10.00   7.29 314.87) =  98.707%  kept
          HD2   LYS+ 112 - HB2   LYS+ 111   7.50 +/- 1.48   7.191% * 10.2753% (0.38   1.0  1.00   6.19  28.75) =   1.284%  kept
        T HG2   LYS+  74 - HG3   GLN   30  11.27 +/- 2.46   1.936% *  0.0667% (0.08   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  74 - HB2   LYS+ 111  20.08 +/- 3.48   0.243% *  0.3318% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   71 - HB2   LYS+ 111  24.76 +/- 4.41   0.182% *  0.3634% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HG3   GLN   30   9.26 +/- 3.82   7.927% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HB2   LYS+ 111  15.68 +/- 2.97   0.715% *  0.0876% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HG3   GLN   30  10.73 +/- 3.44   7.289% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HG3   GLN   30   6.63 +/- 1.48   8.665% *  0.0035% (0.04   1.0  1.00   0.02  14.75) =   0.001%
        T HG13  ILE   19 - HB2   LYS+ 111  26.82 +/- 3.01   0.095% *  0.1749% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   GLN   30  27.91 +/- 2.73   0.080% *  0.1777% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 111  24.49 +/- 4.60   0.180% *  0.0396% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   GLN   30  18.49 +/- 2.09   0.287% *  0.0176% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   GLN   30  16.70 +/- 3.94   0.690% *  0.0061% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+ 111  24.00 +/- 2.84   0.136% *  0.0302% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG3   GLN   30  26.57 +/- 4.10   0.112% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1381 (1.69, 2.02, 33.52 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 314.8:
    * O T HD2   LYS+ 111 - HB2   LYS+ 111   2.50 +/- 0.44  64.229% * 97.6852% (1.00  10.0 10.00   6.62 314.87) =  99.967%  kept
          HG3   PRO   93 - HB2   LYS+ 111   9.47 +/- 4.06  14.179% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.019%
          HB2   LEU   73 - HG3   GLN   30   6.80 +/- 3.00  13.445% *  0.0176% (0.18   1.0  1.00   0.02   5.67) =   0.004%
          HB3   MET   92 - HB2   LYS+ 111  11.67 +/- 3.24   1.648% *  0.0958% (0.98   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - HG3   GLN   30  13.43 +/- 2.46   1.580% *  0.0606% (0.06   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HB2   LYS+ 111  21.47 +/- 2.27   0.141% *  0.6710% (0.69   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - HB2   LYS+ 111  12.49 +/- 2.54   1.304% *  0.0709% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HB2   LYS+ 111  18.85 +/- 2.76   0.293% *  0.1507% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG3   GLN   30  18.75 +/- 3.42   0.269% *  0.1349% (0.14   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   PRO   93 - HG3   GLN   30  22.72 +/- 3.56   0.137% *  0.1703% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+ 111  17.00 +/- 1.67   0.262% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+ 111  26.42 +/- 3.08   0.072% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+ 111  22.31 +/- 3.83   0.143% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  15.16 +/- 2.59   0.396% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   GLN   30  28.69 +/- 2.59   0.054% *  0.1963% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB2   LYS+ 111  21.29 +/- 2.83   0.145% *  0.0671% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   GLN   30  15.51 +/- 3.76   0.524% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   GLN   30  17.51 +/- 2.25   0.278% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  22.76 +/- 3.27   0.151% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   GLN   30  22.21 +/- 2.97   0.137% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  15.66 +/- 4.49   0.507% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   GLN   30  25.03 +/- 4.46   0.106% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1382 (1.64, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 0.982, support = 6.49, residual support = 307.9:
    * O T HD3   LYS+ 111 - HB2   LYS+ 111   2.98 +/- 0.37  63.646% * 92.1301% (1.00  10.0 10.00   6.62 314.87) =  97.790%  kept
        T QD    LYS+  33 - HG3   GLN   30   5.17 +/- 1.19  21.160% *  6.2279% (0.18   1.0 10.00   0.75   0.31) =   2.198%  kept
          QB    ALA   57 - HB2   LYS+ 111  11.78 +/- 3.03   3.443% *  0.0919% (1.00   1.0  1.00   0.02   0.02) =   0.005%
          HD2   LYS+  74 - HG3   GLN   30  11.28 +/- 2.62   7.105% *  0.0155% (0.17   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HB2   LYS+ 111  18.85 +/- 2.76   0.399% *  0.2297% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - HB2   LYS+ 111  27.21 +/- 2.38   0.098% *  0.8263% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   GLN   30  15.16 +/- 2.59   0.732% *  0.0462% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HB2   LYS+ 111  18.08 +/- 1.71   0.324% *  0.0826% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   LYS+ 111  20.75 +/- 3.99   0.305% *  0.0770% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB2   LYS+ 111  15.08 +/- 1.99   0.566% *  0.0256% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   GLN   30  29.48 +/- 2.68   0.077% *  0.1852% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   GLN   30  17.30 +/- 3.11   0.513% *  0.0185% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  15.66 +/- 4.49   0.997% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  22.76 +/- 3.27   0.173% *  0.0182% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   GLN   30  25.77 +/- 4.60   0.174% *  0.0166% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   GLN   30  21.76 +/- 3.91   0.288% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1383 (3.06, 2.02, 33.52 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 314.8:
    *   T QE    LYS+ 111 - HB2   LYS+ 111   3.60 +/- 0.64  59.576% * 99.6189% (1.00 10.00   6.05 314.87) =  99.989%  kept
          HB2   CYS   21 - HG3   GLN   30   5.22 +/- 1.86  37.145% *  0.0113% (0.11  1.00   0.02   0.02) =   0.007%
          HB2   PHE   45 - HB2   LYS+ 111  13.77 +/- 2.73   1.906% *  0.0942% (0.95  1.00   0.02   0.02) =   0.003%
        T QE    LYS+ 111 - HG3   GLN   30  26.09 +/- 2.44   0.203% *  0.2002% (0.20 10.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - HG3   GLN   30  17.21 +/- 2.68   0.979% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB2   LYS+ 111  26.13 +/- 2.62   0.190% *  0.0564% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 5.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1384 (4.53, 1.33, 24.92 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 314.9:
    * O T HA    LYS+ 111 - HG2   LYS+ 111   3.30 +/- 0.48  96.732% * 99.9354% (1.00  10.0 10.00   7.31 314.87) =  99.998%  kept
          HA    PRO   52 - HG2   LYS+ 111  12.96 +/- 4.18   3.268% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.55 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1385 (2.02, 1.33, 24.92 ppm):
    12 chemical-shift based assignments, quality = 0.996, support = 7.25, residual support = 312.0:
    * O T HB2   LYS+ 111 - HG2   LYS+ 111   2.82 +/- 0.18  68.307% * 96.9494% (1.00  10.0 10.00   7.31 314.87) =  99.080%  kept
          QB    GLU- 114 - HG2   LYS+ 111   4.78 +/- 1.72  29.824% *  2.0583% (0.57   1.0  1.00   0.75   1.77) =   0.918%  kept
        T HG3   GLN   30 - HG2   LYS+ 111  27.98 +/- 2.53   0.080% *  0.4719% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HG2   LYS+ 111  24.88 +/- 4.38   0.304% *  0.0841% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   LYS+ 111  13.38 +/- 1.22   0.661% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+ 111  23.68 +/- 4.65   0.325% *  0.0399% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+ 111  28.46 +/- 4.10   0.089% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+ 111  29.03 +/- 3.53   0.076% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+ 111  30.68 +/- 3.89   0.069% *  0.0869% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   LYS+ 111  27.00 +/- 2.74   0.094% *  0.0472% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+ 111  27.69 +/- 2.87   0.080% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+ 111  27.15 +/- 2.68   0.091% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1386 (1.33, 1.33, 24.92 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 111 - HG2   LYS+ 111  (1.00)  kept
 
    Peak 1387 (1.22, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 6.98, residual support = 314.2:
    * O T HG3   LYS+ 111 - HG2   LYS+ 111   1.75 +/- 0.00  97.216% * 89.3040% (1.00  10.0 10.00   6.98 314.87) =  99.754%  kept
          HD2   LYS+ 112 - HG2   LYS+ 111   8.29 +/- 1.81   2.333% *  9.0767% (0.38   1.0  1.00   5.42  28.75) =   0.243%  kept
        T HG12  ILE   89 - HG2   LYS+ 111  15.87 +/- 3.06   0.189% *  0.8851% (0.99   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  74 - HG2   LYS+ 111  20.79 +/- 3.67   0.077% *  0.3352% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+ 111  24.36 +/- 2.96   0.042% *  0.3046% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 111  25.24 +/- 4.52   0.058% *  0.0400% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+ 111  25.54 +/- 4.31   0.055% *  0.0367% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+ 111  27.57 +/- 2.83   0.029% *  0.0177% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1388 (1.69, 1.33, 24.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 314.7:
    * O T HD2   LYS+ 111 - HG2   LYS+ 111   2.85 +/- 0.22  76.799% * 97.1375% (1.00  10.0 10.00   6.21 314.87) =  99.957%  kept
          HG3   PRO   93 - HG2   LYS+ 111   9.89 +/- 4.40  14.737% *  0.0843% (0.87   1.0  1.00   0.02   0.02) =   0.017%
        T QD    LYS+ 106 - HG2   LYS+ 111  12.67 +/- 2.77   1.438% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.014%
          HB3   MET   92 - HG2   LYS+ 111  11.87 +/- 3.84   5.412% *  0.0952% (0.98   1.0  1.00   0.02   0.02) =   0.007%
        T QD    LYS+  99 - HG2   LYS+ 111  21.63 +/- 2.96   0.225% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG2   LYS+ 111  21.54 +/- 2.66   0.210% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HG2   LYS+ 111  19.66 +/- 2.88   0.324% *  0.1499% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HG2   LYS+ 111  27.01 +/- 3.05   0.110% *  0.2998% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 111  18.19 +/- 1.84   0.321% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 111  22.89 +/- 3.67   0.233% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  23.03 +/- 3.84   0.192% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1389 (1.64, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 314.8:
    * O T HD3   LYS+ 111 - HG2   LYS+ 111   2.53 +/- 0.28  93.313% * 97.8296% (1.00  10.0 10.00   6.21 314.87) =  99.990%  kept
          QB    ALA   57 - HG2   LYS+ 111  12.26 +/- 3.10   5.190% *  0.0976% (1.00   1.0  1.00   0.02   0.02) =   0.006%
        T HD2   LYS+  74 - HG2   LYS+ 111  21.46 +/- 4.04   0.242% *  0.8171% (0.84   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - HG2   LYS+ 111  27.75 +/- 2.28   0.082% *  0.8774% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG2   LYS+ 111  19.66 +/- 2.88   0.276% *  0.2439% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HG2   LYS+ 111  19.26 +/- 1.90   0.257% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 111  16.19 +/- 1.90   0.447% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  23.03 +/- 3.84   0.192% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1390 (3.06, 1.33, 24.92 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 314.9:
    * O T QE    LYS+ 111 - HG2   LYS+ 111   2.79 +/- 0.48  98.476% * 99.8490% (1.00  10.0 10.00   5.62 314.87) =  99.999%  kept
          HB2   PHE   45 - HG2   LYS+ 111  14.16 +/- 2.70   1.370% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HG2   LYS+ 111  26.66 +/- 2.55   0.153% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1391 (4.53, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 314.9:
    * O T HA    LYS+ 111 - HG3   LYS+ 111   2.85 +/- 0.74  94.749% * 99.8218% (1.00  10.0 10.00   7.31 314.87) =  99.997%  kept
          HA    PRO   52 - HG3   LYS+ 111  12.71 +/- 4.42   3.643% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+ 111 - HG2   LYS+  74  19.14 +/- 3.32   0.679% *  0.1067% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HA    PRO   52 - HG2   LYS+  74  17.23 +/- 3.87   0.929% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1392 (2.02, 1.22, 24.92 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 7.28, residual support = 314.8:
    * O T HB2   LYS+ 111 - HG3   LYS+ 111   2.84 +/- 0.23  57.135% * 98.2440% (1.00  10.0 10.00   7.29 314.87) =  99.966%  kept
          QB    GLU- 114 - HG3   LYS+ 111   5.14 +/- 1.24  18.842% *  0.0556% (0.57   1.0  1.00   0.02   1.77) =   0.019%
        T HB    ILE   19 - HG2   LYS+  74   9.51 +/- 2.91  10.991% *  0.0511% (0.05   1.0 10.00   0.02   8.22) =   0.010%
        T HG3   GLN   30 - HG2   LYS+  74  11.27 +/- 2.46   1.602% *  0.0511% (0.05   1.0 10.00   0.02   0.02) =   0.001%
        T HB    ILE   19 - HG3   LYS+ 111  26.90 +/- 2.79   0.078% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HG3   LYS+ 111  27.91 +/- 2.73   0.070% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - HG2   LYS+  74  20.08 +/- 3.48   0.221% *  0.1050% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   LYS+ 111  24.70 +/- 4.61   0.203% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+  74  15.15 +/- 3.45   1.460% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   LYS+ 111  13.60 +/- 1.39   0.607% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+  74  12.31 +/- 2.97   1.058% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   LYS+ 111  23.53 +/- 4.86   0.221% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+  74  11.35 +/- 2.56   3.333% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   LYS+ 111  28.26 +/- 4.23   0.073% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   LYS+ 111  28.89 +/- 3.78   0.064% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   LYS+ 111  30.63 +/- 3.96   0.060% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+  74  16.06 +/- 2.69   0.488% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   LYS+  74  16.81 +/- 3.79   0.609% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   LYS+  74  16.14 +/- 4.02   1.545% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+  74  15.66 +/- 1.40   0.374% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+  74  15.61 +/- 2.44   0.455% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   LYS+ 111  27.86 +/- 2.46   0.069% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   LYS+ 111  27.08 +/- 2.85   0.079% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+  74  20.76 +/- 3.43   0.364% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1393 (1.33, 1.22, 24.92 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 314.9:
    * O T HG2   LYS+ 111 - HG3   LYS+ 111   1.75 +/- 0.00  82.788% * 98.9181% (1.00  10.0 10.00   6.98 314.87) =  99.997%  kept
          HB3   ASP-  44 - HG2   LYS+  74   7.49 +/- 3.62   9.440% *  0.0077% (0.08   1.0  1.00   0.02   4.48) =   0.001%
        T HG2   LYS+  99 - HG2   LYS+  74  18.86 +/- 3.88   0.582% *  0.0948% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HG3   LYS+ 111   9.59 +/- 3.35   1.532% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HG3   LYS+ 111  15.29 +/- 3.11   0.180% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+ 111  17.21 +/- 2.62   0.119% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG2   LYS+  74   8.89 +/- 2.51   1.025% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG2   LYS+  74  19.73 +/- 3.26   0.106% *  0.0847% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+ 111  15.17 +/- 2.49   0.165% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG2   LYS+  74  20.79 +/- 3.67   0.065% *  0.1057% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 111  16.12 +/- 3.02   0.162% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG2   LYS+  74  11.56 +/- 2.76   0.521% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+ 111  23.03 +/- 4.53   0.054% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+ 111  27.19 +/- 4.02   0.040% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+ 111  15.51 +/- 4.56   0.258% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 111  20.14 +/- 1.50   0.058% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   LYS+ 111  25.10 +/- 2.55   0.032% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 111  20.98 +/- 2.51   0.056% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   LYS+  74   7.49 +/- 1.28   1.412% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG2   LYS+  74  15.15 +/- 2.35   0.193% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   LYS+ 111  30.27 +/- 2.72   0.018% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+  74  11.20 +/- 1.27   0.384% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+  74  13.02 +/- 3.39   0.310% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   LYS+  74  15.28 +/- 2.31   0.187% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+  74  15.28 +/- 2.63   0.183% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+  74  19.32 +/- 3.76   0.131% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1394 (1.22, 1.22, 24.92 ppm):
    2 diagonal assignments:
    *     HG3   LYS+ 111 - HG3   LYS+ 111  (1.00)  kept
          HG2   LYS+  74 - HG2   LYS+  74  (0.04)  kept
 
    Peak 1395 (1.69, 1.22, 24.92 ppm):
    22 chemical-shift based assignments, quality = 0.998, support = 5.39, residual support = 314.2:
    * O T HD2   LYS+ 111 - HG3   LYS+ 111   2.79 +/- 0.17  68.651% * 94.6581% (1.00  10.0 10.00   5.40 314.87) =  99.768%  kept
          HB2   LEU   73 - HG2   LYS+  74   6.85 +/- 0.70   5.856% *  2.1623% (0.10   1.0  1.00   4.77  42.48) =   0.194%  kept
          HG3   PRO   93 - HG3   LYS+ 111   9.44 +/- 4.20   9.753% *  0.0821% (0.87   1.0  1.00   0.02   0.02) =   0.012%
        T QD    LYS+ 106 - HG3   LYS+ 111  12.72 +/- 2.44   1.094% *  0.6874% (0.73   1.0 10.00   0.02   0.02) =   0.012%
          HB3   MET   92 - HG3   LYS+ 111  11.50 +/- 3.66   2.466% *  0.0928% (0.98   1.0  1.00   0.02   0.02) =   0.004%
        T QD    LYS+  99 - HG2   LYS+  74  16.85 +/- 3.73   2.019% *  0.0695% (0.07   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  99 - HG3   LYS+ 111  21.78 +/- 2.47   0.167% *  0.6502% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG3   LYS+ 111  21.78 +/- 2.31   0.163% *  0.6502% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 106 - HG2   LYS+  74  14.61 +/- 3.21   0.919% *  0.0735% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG2   LYS+  74   9.55 +/- 3.23   3.905% *  0.0156% (0.02   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+ 111  19.50 +/- 2.88   0.269% *  0.1461% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HG3   LYS+ 111  26.97 +/- 2.84   0.092% *  0.2922% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 111  18.50 +/- 1.74   0.263% *  0.0849% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  74  19.85 +/- 3.03   0.295% *  0.0695% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  74  21.26 +/- 3.29   0.191% *  0.1012% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+ 111  22.76 +/- 3.67   0.211% *  0.0849% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  18.48 +/- 3.32   0.446% *  0.0312% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  74  19.63 +/- 4.24   0.859% *  0.0091% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  74  14.50 +/- 3.59   0.777% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  74  14.78 +/- 3.30   0.681% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.84 +/- 3.86   0.156% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  13.18 +/- 1.84   0.769% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1396 (1.64, 1.22, 24.92 ppm):
    16 chemical-shift based assignments, quality = 0.923, support = 5.41, residual support = 304.0:
    * O T HD3   LYS+ 111 - HG3   LYS+ 111   2.75 +/- 0.30  43.832% * 89.7666% (1.00  10.0 10.00   5.40 314.87) =  91.507%  kept
      O T HD2   LYS+  74 - HG2   LYS+  74   2.72 +/- 0.25  45.498% *  8.0133% (0.09  10.0 10.00   5.54 186.90) =   8.479%  kept
          QB    ALA   57 - HG3   LYS+ 111  12.15 +/- 3.12   2.744% *  0.0896% (1.00   1.0  1.00   0.02   0.02) =   0.006%
        T HD2   LYS+  74 - HG3   LYS+ 111  21.22 +/- 3.85   0.129% *  0.7498% (0.84   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - HG2   LYS+  74  13.66 +/- 2.88   0.960% *  0.0860% (0.10   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HG2   LYS+  74   9.55 +/- 3.23   2.253% *  0.0239% (0.03   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HG3   LYS+ 111  27.69 +/- 2.44   0.051% *  0.8051% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+ 111  19.50 +/- 2.88   0.167% *  0.2238% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG2   LYS+  74  10.45 +/- 3.24   2.047% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.55 +/- 1.83   0.134% *  0.0805% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  22.18 +/- 3.54   0.098% *  0.0959% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  16.51 +/- 1.61   0.225% *  0.0250% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  16.85 +/- 4.19   1.012% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  20.44 +/- 4.22   0.276% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.84 +/- 3.86   0.107% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  13.18 +/- 1.84   0.467% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1397 (3.06, 1.22, 24.92 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 314.9:
    * O T QE    LYS+ 111 - HG3   LYS+ 111   2.42 +/- 0.46  92.515% * 99.7265% (1.00  10.0 10.00   5.44 314.87) =  99.998%  kept
          HB2   PHE   45 - HG3   LYS+ 111  13.87 +/- 2.71   0.876% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - HG2   LYS+  74  10.13 +/- 2.97   3.629% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - HG2   LYS+  74  19.39 +/- 2.94   0.315% *  0.1066% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG2   LYS+  74   9.30 +/- 1.73   2.571% *  0.0060% (0.06   1.0  1.00   0.02   7.87) =   0.000%
          HB2   CYS   21 - HG3   LYS+ 111  26.59 +/- 2.42   0.094% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1398 (4.53, 1.69, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 314.9:
    *   T HA    LYS+ 111 - HD2   LYS+ 111   3.35 +/- 0.74  91.039% * 99.4172% (1.00 10.00   6.21 314.87) =  99.993%  kept
          HA    PRO   52 - HD2   LYS+ 111  13.45 +/- 4.26   4.863% *  0.0643% (0.65  1.00   0.02   0.02) =   0.003%
        T HA    LYS+ 111 - QD    LYS+  65  18.08 +/- 2.85   1.134% *  0.1523% (0.15 10.00   0.02   0.02) =   0.002%
        T HA    LYS+ 111 - QD    LYS+ 102  21.68 +/- 1.69   0.444% *  0.2599% (0.26 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 111 - QD    LYS+  38  26.54 +/- 2.80   0.260% *  0.0748% (0.08 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  15.85 +/- 2.61   1.614% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+ 102  26.74 +/- 3.48   0.375% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  38  28.04 +/- 4.40   0.271% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1399 (2.02, 1.69, 29.56 ppm):
    48 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 314.8:
    * O T HB2   LYS+ 111 - HD2   LYS+ 111   2.50 +/- 0.44  51.532% * 97.9440% (1.00  10.0 10.00   6.62 314.87) =  99.975%  kept
          QB    GLU- 114 - HD2   LYS+ 111   4.78 +/- 1.34  14.375% *  0.0555% (0.57   1.0  1.00   0.02   1.77) =   0.016%
          HB2   GLN   17 - QD    LYS+  65  11.96 +/- 5.36   4.090% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - QD    LYS+  38  13.43 +/- 2.46   1.178% *  0.0359% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - QD    LYS+  65  18.85 +/- 2.76   0.220% *  0.1500% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - QD    LYS+ 102  21.47 +/- 2.27   0.108% *  0.2561% (0.26   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QD    LYS+ 102   8.00 +/- 1.67   3.802% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - QD    LYS+ 102  18.75 +/- 3.42   0.217% *  0.1246% (0.13   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - QD    LYS+  65  15.16 +/- 2.59   0.312% *  0.0730% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   LYS+ 111  28.69 +/- 2.59   0.042% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  38  12.07 +/- 3.84   2.619% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+ 102  21.27 +/- 5.74   0.773% *  0.0230% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  38  12.29 +/- 8.70   8.519% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   LYS+ 111  25.27 +/- 4.40   0.173% *  0.0850% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  65  10.13 +/- 1.36   0.989% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   LYS+ 111  13.55 +/- 1.31   0.470% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD2   LYS+ 111  24.05 +/- 4.57   0.165% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+ 102  21.34 +/- 4.64   0.256% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65  15.18 +/- 3.84   0.437% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65  10.28 +/- 1.39   1.024% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  38  16.25 +/- 3.55   0.943% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+ 102  19.06 +/- 4.00   0.229% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  38  16.03 +/- 3.47   0.650% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD2   LYS+ 111  28.77 +/- 4.11   0.045% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  38  26.42 +/- 3.08   0.058% *  0.0737% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  13.10 +/- 2.54   0.574% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD2   LYS+ 111  29.41 +/- 3.51   0.041% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  38  15.79 +/- 3.85   1.259% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.09 +/- 2.61   0.445% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  19.17 +/- 4.04   0.264% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD2   LYS+ 111  31.53 +/- 4.14   0.039% *  0.0878% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+ 102  17.35 +/- 1.73   0.220% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD2   LYS+ 111  27.59 +/- 2.68   0.050% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  38  13.94 +/- 2.21   0.649% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+ 102  19.04 +/- 2.90   0.184% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+ 102  23.29 +/- 5.19   0.097% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  38  12.25 +/- 1.99   1.197% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+ 102  17.40 +/- 3.90   0.266% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  13.32 +/- 1.60   0.405% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   LYS+ 111  28.32 +/- 2.31   0.045% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+ 102  22.23 +/- 5.48   0.117% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  38  19.78 +/- 2.93   0.164% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   LYS+ 111  27.87 +/- 2.76   0.046% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  15.32 +/- 2.30   0.266% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+ 102  21.58 +/- 2.99   0.108% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  38  21.77 +/- 3.12   0.122% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  23.01 +/- 2.60   0.074% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  38  22.66 +/- 4.06   0.141% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1400 (1.33, 1.69, 29.56 ppm):
    52 chemical-shift based assignments, quality = 0.916, support = 6.16, residual support = 306.3:
    * O T HG2   LYS+ 111 - HD2   LYS+ 111   2.85 +/- 0.22  23.424% * 90.8110% (1.00  10.0 10.00   6.21 314.87) =  91.105%  kept
      O T HG2   LYS+  38 - QD    LYS+  38   2.40 +/- 0.14  37.672% *  5.4729% (0.06  10.0 10.00   5.75 219.76) =   8.830%  kept
        T HB3   PRO   93 - HD2   LYS+ 111  10.22 +/- 3.62   2.334% *  0.2803% (0.31   1.0 10.00   0.02   0.02) =   0.028%
        T HG2   LYS+  99 - QD    LYS+ 102   8.48 +/- 1.39   1.215% *  0.2129% (0.23   1.0 10.00   0.02   1.59) =   0.011%
        T HG2   LYS+  99 - QD    LYS+  38  12.32 +/- 8.01   2.416% *  0.0613% (0.07   1.0 10.00   0.02   0.02) =   0.006%
          HG    LEU   98 - QD    LYS+ 102   7.37 +/- 1.80   5.944% *  0.0106% (0.12   1.0  1.00   0.02   2.17) =   0.003%
          HB3   ASP-  44 - QD    LYS+  65  10.99 +/- 3.17   5.872% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   LYS+  38 - QD    LYS+ 102  16.94 +/- 7.19   0.305% *  0.1901% (0.21   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - QD    LYS+  38  21.89 +/- 6.71   9.035% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   LYS+  99 - HD2   LYS+ 111  25.58 +/- 2.47   0.035% *  0.8144% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+ 102  21.54 +/- 2.66   0.061% *  0.2374% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  38 - HD2   LYS+ 111  30.92 +/- 2.72   0.019% *  0.7272% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    LYS+  65   7.82 +/- 0.64   1.198% *  0.0116% (0.13   1.0  1.00   0.02   3.61) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  65  19.66 +/- 2.88   0.088% *  0.1391% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HD2   LYS+ 111  15.93 +/- 2.86   0.183% *  0.0659% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  38 - QD    LYS+  65  20.06 +/- 2.72   0.096% *  0.1114% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  20.46 +/- 3.13   0.076% *  0.1248% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  10.83 +/- 3.01   1.328% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  17.80 +/- 2.34   0.118% *  0.0759% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 102  15.63 +/- 5.45   0.305% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  15.57 +/- 2.71   0.174% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  11.33 +/- 4.21   2.430% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  16.64 +/- 3.04   0.168% *  0.0310% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  23.63 +/- 3.90   0.055% *  0.0838% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.90 +/- 1.62   0.073% *  0.0514% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  16.07 +/- 4.39   0.267% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 102  13.58 +/- 2.71   0.287% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  16.83 +/- 3.75   0.234% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  28.09 +/- 4.02   0.032% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 102  19.51 +/- 4.67   0.128% *  0.0219% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  21.45 +/- 2.51   0.061% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  27.01 +/- 3.05   0.032% *  0.0683% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  18.28 +/- 3.43   0.156% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 102  17.75 +/- 2.46   0.119% *  0.0172% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  14.41 +/- 3.43   0.450% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 102  19.49 +/- 2.43   0.091% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  15.37 +/- 2.94   0.227% *  0.0079% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  20.19 +/- 6.05   0.417% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  15.79 +/- 2.97   0.188% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  38  19.13 +/- 4.74   0.640% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  15.11 +/- 3.36   0.266% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  14.74 +/- 5.38   0.361% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  21.55 +/- 4.82   0.078% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  17.19 +/- 2.92   0.165% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  18.36 +/- 3.56   0.142% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 102  16.59 +/- 3.23   0.204% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.79 +/- 2.24   0.103% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  18.43 +/- 2.38   0.098% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.60 +/- 1.50   0.063% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  18.00 +/- 4.14   0.396% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  19.52 +/- 3.54   0.117% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  38  23.35 +/- 3.13   0.054% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1401 (1.22, 1.69, 29.56 ppm):
    32 chemical-shift based assignments, quality = 0.996, support = 5.39, residual support = 313.2:
    * O T HG3   LYS+ 111 - HD2   LYS+ 111   2.79 +/- 0.17  67.939% * 90.8419% (1.00  10.0 10.00   5.40 314.87) =  99.419%  kept
          HD2   LYS+ 112 - HD2   LYS+ 111   8.52 +/- 1.72   4.700% *  7.4495% (0.38   1.0  1.00   4.37  28.75) =   0.564%  kept
        T HG3   LYS+  99 - QD    LYS+ 102   8.50 +/- 1.68   4.746% *  0.0810% (0.09   1.0 10.00   0.02   1.59) =   0.006%
        T HG2   LYS+  74 - QD    LYS+  65   9.55 +/- 3.23   3.812% *  0.0522% (0.06   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  99 - QD    LYS+  38  12.28 +/- 7.80   3.765% *  0.0233% (0.03   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  74 - HD2   LYS+ 111  21.26 +/- 3.29   0.190% *  0.3409% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HD2   LYS+ 111  16.22 +/- 3.29   0.575% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+ 102  21.78 +/- 2.31   0.161% *  0.2375% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+  65  19.50 +/- 2.88   0.265% *  0.1392% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HD2   LYS+ 111  25.05 +/- 2.34   0.104% *  0.3099% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  74 - QD    LYS+ 102  19.85 +/- 3.03   0.300% *  0.0891% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+ 102  15.58 +/- 2.73   0.544% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  18.48 +/- 3.32   0.458% *  0.0257% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  20.18 +/- 3.22   0.218% *  0.0475% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  12.09 +/- 2.43   1.411% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  12.18 +/- 2.55   1.508% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  17.70 +/- 3.68   0.545% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  11.51 +/- 2.33   2.605% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  26.15 +/- 4.22   0.169% *  0.0373% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD2   LYS+ 111  25.88 +/- 4.38   0.155% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  26.97 +/- 2.84   0.091% *  0.0684% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  38  11.56 +/- 1.85   1.456% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  12.85 +/- 3.24   1.402% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  15.70 +/- 3.21   0.734% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+ 102  19.28 +/- 4.08   0.277% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 102  19.62 +/- 4.36   0.264% *  0.0098% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  21.26 +/- 3.40   0.245% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  28.11 +/- 2.93   0.078% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+ 102  23.58 +/- 3.20   0.154% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 102  19.54 +/- 3.01   0.280% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  13.88 +/- 2.47   0.746% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  38  26.96 +/- 4.18   0.106% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1402 (1.69, 1.69, 29.56 ppm):
    4 diagonal assignments:
    *     HD2   LYS+ 111 - HD2   LYS+ 111  (1.00)  kept
          QD    LYS+ 102 - QD    LYS+ 102  (0.18)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.02)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.02)  kept
 
    Peak 1403 (1.64, 1.69, 29.56 ppm):
    1 diagonal assignment:
          QD    LYS+  65 - QD    LYS+  65  (0.04)  kept
    Reference assignment not found: HD3   LYS+ 111 - HD2   LYS+ 111
 
    Peak 1404 (3.06, 1.69, 29.56 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 314.9:
    * O T QE    LYS+ 111 - HD2   LYS+ 111   2.30 +/- 0.13  94.706% * 99.2899% (1.00  10.0 10.00   4.97 314.87) =  99.998%  kept
          HB2   PHE   45 - HD2   LYS+ 111  14.53 +/- 2.89   0.629% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - QD    LYS+  65  18.32 +/- 2.92   0.298% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+ 102  19.99 +/- 1.84   0.163% *  0.2596% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  14.18 +/- 3.97   2.144% *  0.0144% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+ 102  19.32 +/- 3.68   0.510% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  38  25.20 +/- 2.45   0.085% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+ 102  18.05 +/- 2.12   0.230% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  13.72 +/- 2.71   0.631% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD2   LYS+ 111  27.35 +/- 2.51   0.060% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  38  16.29 +/- 2.64   0.402% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  38  21.30 +/- 2.24   0.143% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1405 (4.53, 1.64, 29.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 314.8:
    *   T HA    LYS+ 111 - HD3   LYS+ 111   4.05 +/- 0.71  89.053% * 98.7339% (1.00 10.00   6.21 314.87) =  99.985%  kept
        T HA    LYS+ 111 - QD    LYS+  65  18.08 +/- 2.85   1.915% *  0.2444% (0.25 10.00   0.02   0.02) =   0.005%
        T HA    LYS+ 111 - QD    LYS+  33  26.85 +/- 2.47   0.446% *  0.8848% (0.90 10.00   0.02   0.02) =   0.004%
          HA    PRO   52 - HD3   LYS+ 111  13.94 +/- 3.95   5.944% *  0.0639% (0.65  1.00   0.02   0.02) =   0.004%
          HA    PRO   52 - QD    LYS+  65  15.85 +/- 2.61   2.114% *  0.0158% (0.16  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  33  26.71 +/- 3.42   0.527% *  0.0572% (0.58  1.00   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1406 (2.02, 1.64, 29.56 ppm):
    36 chemical-shift based assignments, quality = 0.968, support = 6.29, residual support = 297.5:
    * O T HB2   LYS+ 111 - HD3   LYS+ 111   2.98 +/- 0.37  33.208% * 83.2583% (1.00  10.0 10.00   6.62 314.87) =  94.472%  kept
        T HG3   GLN   30 - QD    LYS+  33   5.17 +/- 1.19  11.280% * 13.6185% (0.44   1.0 10.00   0.75   0.31) =   5.249%  kept
          HB2   GLN   30 - QD    LYS+  33   4.97 +/- 1.07   9.580% *  0.6229% (0.20   1.0  1.00   0.75   0.31) =   0.204%  kept
          QB    GLU-  15 - QD    LYS+  33   7.56 +/- 2.39   7.965% *  0.0739% (0.89   1.0  1.00   0.02   0.02) =   0.020%
          QB    GLU- 114 - HD3   LYS+ 111   5.31 +/- 1.59  10.092% *  0.0471% (0.57   1.0  1.00   0.02   1.77) =   0.016%
          HB2   GLN   17 - QD    LYS+  33  10.32 +/- 3.03   6.353% *  0.0739% (0.89   1.0  1.00   0.02   0.02) =   0.016%
          HB    ILE   19 - QD    LYS+  33   6.52 +/- 1.82   5.551% *  0.0363% (0.44   1.0  1.00   0.02   0.02) =   0.007%
          HB2   GLN   17 - QD    LYS+  65  11.96 +/- 5.36   5.744% *  0.0204% (0.25   1.0  1.00   0.02   0.02) =   0.004%
        T HB2   LYS+ 111 - QD    LYS+  65  18.85 +/- 2.76   0.214% *  0.2061% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLU- 100 - QD    LYS+  33  14.43 +/- 5.32   2.031% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - QD    LYS+  33  27.21 +/- 2.38   0.050% *  0.7461% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - QD    LYS+  33  12.16 +/- 1.17   0.548% *  0.0669% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - QD    LYS+  65  15.16 +/- 2.59   0.360% *  0.1003% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QD    LYS+  65  10.13 +/- 1.36   1.138% *  0.0179% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QD    LYS+  33  16.85 +/- 3.36   0.259% *  0.0647% (0.78   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HD3   LYS+ 111  25.99 +/- 4.72   0.229% *  0.0722% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HD3   LYS+ 111  29.48 +/- 2.68   0.040% *  0.4053% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - QD    LYS+  65  15.18 +/- 3.84   0.522% *  0.0204% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65  10.28 +/- 1.39   1.124% *  0.0085% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  19.17 +/- 4.04   0.468% *  0.0185% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  33  16.78 +/- 3.08   0.263% *  0.0307% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD3   LYS+ 111  24.77 +/- 4.90   0.212% *  0.0342% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   LYS+ 111  14.24 +/- 1.45   0.331% *  0.0185% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.09 +/- 2.61   0.524% *  0.0117% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  13.10 +/- 2.54   0.582% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  33  22.60 +/- 2.26   0.098% *  0.0422% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   LYS+ 111  29.69 +/- 4.23   0.046% *  0.0825% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   LYS+ 111  30.15 +/- 3.70   0.039% *  0.0825% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   LYS+ 111  32.23 +/- 4.18   0.034% *  0.0747% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  13.32 +/- 1.60   0.471% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD3   LYS+ 111  28.42 +/- 2.89   0.048% *  0.0405% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  33  22.85 +/- 3.27   0.112% *  0.0166% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  15.32 +/- 2.30   0.317% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   LYS+ 111  28.91 +/- 2.70   0.040% *  0.0231% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   LYS+ 111  28.64 +/- 2.90   0.045% *  0.0185% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  23.01 +/- 2.60   0.079% *  0.0057% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1407 (1.33, 1.64, 29.56 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 314.3:
    * O T HG2   LYS+ 111 - HD3   LYS+ 111   2.53 +/- 0.28  63.179% * 94.0256% (1.00  10.0 10.00   6.21 314.87) =  99.821%  kept
          HB2   LEU   31 - QD    LYS+  33   7.50 +/- 0.93   3.095% *  3.1273% (0.89   1.0  1.00   0.75   1.00) =   0.163%  kept
          HB3   ASP-  44 - QD    LYS+  65  10.99 +/- 3.17   7.540% *  0.0169% (0.18   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  38 - QD    LYS+  33   9.45 +/- 1.05   1.584% *  0.0675% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  99 - QD    LYS+  33  14.61 +/- 4.74   0.912% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - QD    LYS+  33  14.46 +/- 4.48   4.470% *  0.0130% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HD3   LYS+ 111  11.11 +/- 3.51   1.943% *  0.0290% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    LYS+  65   7.82 +/- 0.64   2.558% *  0.0194% (0.21   1.0  1.00   0.02   3.61) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  33  27.75 +/- 2.28   0.056% *  0.8426% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD    LYS+  33  16.41 +/- 3.58   1.613% *  0.0287% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  65  19.66 +/- 2.88   0.186% *  0.2328% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  38 - QD    LYS+  65  20.06 +/- 2.72   0.176% *  0.1864% (0.20   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  99 - QD    LYS+  65  20.46 +/- 3.13   0.137% *  0.2088% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  33  17.24 +/- 4.60   0.308% *  0.0778% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD3   LYS+ 111  16.83 +/- 3.09   0.334% *  0.0683% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  33  16.14 +/- 2.86   0.320% *  0.0704% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  33  16.30 +/- 2.11   0.312% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD3   LYS+ 111  18.66 +/- 2.57   0.240% *  0.0785% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  14.53 +/- 2.91   0.477% *  0.0378% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  11.33 +/- 4.21   4.917% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  33  21.06 +/- 5.09   0.321% *  0.0477% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD3   LYS+ 111  15.98 +/- 2.71   0.353% *  0.0422% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  16.83 +/- 3.75   0.517% *  0.0215% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  33  18.36 +/- 2.64   0.274% *  0.0378% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  17.19 +/- 3.23   0.300% *  0.0321% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD3   LYS+ 111  24.39 +/- 4.43   0.108% *  0.0868% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD3   LYS+ 111  20.31 +/- 1.75   0.142% *  0.0532% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD3   LYS+ 111  16.75 +/- 4.68   0.475% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  18.28 +/- 3.43   0.270% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  14.41 +/- 3.43   0.844% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HD3   LYS+ 111  26.16 +/- 2.87   0.071% *  0.0843% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD3   LYS+ 111  28.78 +/- 4.11   0.063% *  0.0932% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  15.37 +/- 2.94   0.408% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  22.15 +/- 2.85   0.120% *  0.0422% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  15.11 +/- 3.36   0.632% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  18.36 +/- 3.56   0.374% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  21.95 +/- 3.34   0.145% *  0.0260% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HD3   LYS+ 111  31.59 +/- 2.96   0.040% *  0.0753% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.79 +/- 2.24   0.186% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1408 (1.22, 1.64, 29.56 ppm):
    24 chemical-shift based assignments, quality = 0.997, support = 5.39, residual support = 313.4:
    * O T HG3   LYS+ 111 - HD3   LYS+ 111   2.75 +/- 0.30  52.833% * 90.2666% (1.00  10.0 10.00   5.40 314.87) =  99.498%  kept
          HD2   LYS+ 112 - HD3   LYS+ 111   9.12 +/- 1.77   3.007% *  7.4051% (0.38   1.0  1.00   4.37  28.75) =   0.465%  kept
          HB3   LEU   71 - QD    LYS+  33   8.66 +/- 4.48  14.467% *  0.0363% (0.40   1.0  1.00   0.02   0.02) =   0.011%
        T HG2   LYS+  74 - QD    LYS+  33  13.66 +/- 2.88   1.096% *  0.3036% (0.34   1.0 10.00   0.02   0.02) =   0.007%
        T HG2   LYS+  74 - QD    LYS+  65   9.55 +/- 3.23   3.085% *  0.0839% (0.09   1.0 10.00   0.02   0.02) =   0.005%
          HG13  ILE   19 - QD    LYS+  33   6.81 +/- 2.37  14.909% *  0.0160% (0.18   1.0  1.00   0.02   0.02) =   0.005%
          HG    LEU   71 - QD    LYS+  33   9.70 +/- 3.74   3.169% *  0.0333% (0.37   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 111 - QD    LYS+  65  19.50 +/- 2.88   0.234% *  0.2235% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HD3   LYS+ 111  16.89 +/- 3.34   0.569% *  0.0895% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+  33  27.69 +/- 2.44   0.063% *  0.8089% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  74 - HD3   LYS+ 111  22.18 +/- 3.54   0.133% *  0.3388% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - QD    LYS+  33  14.75 +/- 4.52   0.938% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - QD    LYS+  33  19.40 +/- 2.69   0.282% *  0.0802% (0.89   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  20.18 +/- 3.22   0.196% *  0.0762% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  12.09 +/- 2.43   1.273% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  12.18 +/- 2.55   1.369% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  17.70 +/- 3.68   0.519% *  0.0221% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  12.85 +/- 3.24   1.005% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 111  26.66 +/- 4.62   0.108% *  0.0405% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  15.70 +/- 3.21   0.437% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD3   LYS+ 111  26.93 +/- 4.40   0.097% *  0.0371% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HD3   LYS+ 111  25.60 +/- 2.78   0.080% *  0.0308% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  33  26.73 +/- 3.04   0.071% *  0.0304% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD3   LYS+ 111  28.95 +/- 3.09   0.060% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1409 (1.69, 1.64, 29.56 ppm):
    1 diagonal assignment:
          QD    LYS+  65 - QD    LYS+  65  (0.04)  kept
    Reference assignment not found: HD2   LYS+ 111 - HD3   LYS+ 111
 
    Peak 1410 (1.64, 1.64, 29.56 ppm):
    3 diagonal assignments:
    *     HD3   LYS+ 111 - HD3   LYS+ 111  (1.00)  kept
          QD    LYS+  33 - QD    LYS+  33  (0.80)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.06)  kept
 
    Peak 1411 (3.06, 1.64, 29.56 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 314.9:
    * O T QE    LYS+ 111 - HD3   LYS+ 111   2.45 +/- 0.12  92.752% * 98.5534% (1.00  10.0 10.00   4.97 314.87) =  99.995%  kept
          HB2   CYS   21 - QD    LYS+  33   8.90 +/- 1.48   2.669% *  0.0500% (0.51   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - QD    LYS+  33  25.77 +/- 2.26   0.093% *  0.8831% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - QD    LYS+  65  18.32 +/- 2.92   0.328% *  0.2440% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - HD3   LYS+ 111  15.36 +/- 2.97   0.571% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - QD    LYS+  65  14.18 +/- 3.97   2.198% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - QD    LYS+  33  18.73 +/- 2.75   0.490% *  0.0835% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  13.72 +/- 2.71   0.832% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD3   LYS+ 111  28.15 +/- 2.63   0.068% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1412 (4.53, 3.06, 42.92 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 314.9:
    *   T HA    LYS+ 111 - QE    LYS+ 111   3.32 +/- 0.55  91.216% * 99.9354% (1.00 10.00   5.62 314.87) =  99.994%  kept
          HA    PRO   52 - QE    LYS+ 111  11.81 +/- 4.19   8.784% *  0.0646% (0.65  1.00   0.02   0.02) =   0.006%
    Distance limit 3.44 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1413 (2.02, 3.06, 42.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 314.8:
    *   T HB2   LYS+ 111 - QE    LYS+ 111   3.60 +/- 0.64  69.607% * 98.9314% (1.00 10.00   6.05 314.87) =  99.974%  kept
          QB    GLU- 114 - QE    LYS+ 111   5.65 +/- 1.18  25.707% *  0.0560% (0.57  1.00   0.02   1.77) =   0.021%
        T HG3   GLN   30 - QE    LYS+ 111  26.09 +/- 2.44   0.240% *  0.4816% (0.49 10.00   0.02   0.02) =   0.002%
          HB3   PRO   68 - QE    LYS+ 111  23.22 +/- 3.84   0.705% *  0.0858% (0.87  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - QE    LYS+ 111  13.41 +/- 1.12   1.576% *  0.0220% (0.22  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QE    LYS+ 111  22.16 +/- 4.01   0.727% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    LYS+ 111  26.34 +/- 3.73   0.254% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QE    LYS+ 111  26.82 +/- 3.19   0.224% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    LYS+ 111  28.35 +/- 3.60   0.203% *  0.0887% (0.90  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QE    LYS+ 111  25.20 +/- 2.40   0.259% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QE    LYS+ 111  25.82 +/- 1.97   0.230% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QE    LYS+ 111  25.37 +/- 2.52   0.267% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1414 (1.33, 3.06, 42.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 314.8:
    * O T HG2   LYS+ 111 - QE    LYS+ 111   2.79 +/- 0.48  82.696% * 99.2615% (1.00  10.0 10.00   5.62 314.87) =  99.992%  kept
          HB3   PRO   93 - QE    LYS+ 111   9.27 +/- 3.34  10.669% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP-  44 - QE    LYS+ 111  14.65 +/- 2.53   0.967% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QE    LYS+ 111  13.56 +/- 2.61   1.165% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QE    LYS+ 111  16.68 +/- 1.97   0.502% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QE    LYS+ 111  14.56 +/- 2.91   0.966% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QE    LYS+ 111  20.96 +/- 3.71   0.301% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QE    LYS+ 111  25.49 +/- 3.75   0.267% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QE    LYS+ 111  14.28 +/- 3.97   1.544% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 111  18.93 +/- 1.35   0.323% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QE    LYS+ 111  23.50 +/- 1.96   0.174% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 111  19.61 +/- 1.95   0.331% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QE    LYS+ 111  28.28 +/- 2.36   0.097% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1415 (1.22, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 0.992, support = 5.43, residual support = 311.1:
    * O T HG3   LYS+ 111 - QE    LYS+ 111   2.42 +/- 0.46  85.884% * 91.1983% (1.00  10.0 10.00   5.44 314.87) =  98.692%  kept
          HD2   LYS+ 112 - QE    LYS+ 111   7.90 +/- 2.11  12.578% *  8.2415% (0.38   1.0  1.00   4.82  28.75) =   1.306%  kept
        T HG2   LYS+  74 - QE    LYS+ 111  19.39 +/- 2.94   0.295% *  0.3423% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - QE    LYS+ 111  14.31 +/- 3.01   0.706% *  0.0904% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - QE    LYS+ 111  23.71 +/- 3.96   0.149% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 111  24.02 +/- 3.81   0.151% *  0.0375% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+ 111  23.04 +/- 1.77   0.137% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 111  25.71 +/- 2.56   0.100% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1416 (1.69, 3.06, 42.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 314.8:
    * O T HD2   LYS+ 111 - QE    LYS+ 111   2.30 +/- 0.13  78.743% * 98.3525% (1.00  10.0 10.00   4.97 314.87) =  99.975%  kept
          HG3   PRO   93 - QE    LYS+ 111   8.83 +/- 4.17  15.603% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.017%
          HB3   MET   92 - QE    LYS+ 111  10.41 +/- 3.82   3.797% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.005%
        T QD    LYS+ 102 - QE    LYS+ 111  19.99 +/- 1.84   0.136% *  0.6756% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QE    LYS+ 111  11.98 +/- 1.95   0.798% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+ 111  18.32 +/- 2.92   0.250% *  0.1518% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+ 111  25.20 +/- 2.45   0.071% *  0.3036% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 111  17.73 +/- 1.63   0.202% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 111  21.47 +/- 3.21   0.132% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QE    LYS+ 111  20.46 +/- 1.95   0.134% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  20.75 +/- 3.20   0.135% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1417 (1.64, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 314.9:
    * O T HD3   LYS+ 111 - QE    LYS+ 111   2.45 +/- 0.12  95.812% * 98.5544% (1.00  10.0 10.00   4.97 314.87) =  99.995%  kept
          QB    ALA   57 - QE    LYS+ 111  11.77 +/- 3.09   2.706% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  33 - QE    LYS+ 111  25.77 +/- 2.26   0.096% *  0.8839% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+ 111  18.32 +/- 2.92   0.339% *  0.2457% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - QE    LYS+ 111  18.65 +/- 1.71   0.238% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+ 111  19.99 +/- 3.28   0.230% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 111  16.01 +/- 1.45   0.379% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  20.75 +/- 3.20   0.200% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1418 (3.06, 3.06, 42.92 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 111 - QE    LYS+ 111  (1.00)  kept
 
    Peak 1419 (3.46, 3.46, 61.33 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 112 - HA    LYS+ 112  (1.00)  kept
 
    Peak 1420 (1.37, 3.46, 61.33 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 238.1:
    * O T HB2   LYS+ 112 - HA    LYS+ 112   2.64 +/- 0.21  76.035% * 98.3538% (1.00  10.0 10.00   6.00 238.14) =  99.978%  kept
          HB3   PRO   93 - HA    LYS+ 112   7.83 +/- 3.85  18.593% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.012%
        T HB    VAL   42 - HA    LYS+ 112  15.52 +/- 2.54   0.580% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.007%
          HG3   LYS+ 106 - HA    LYS+ 112  14.16 +/- 1.65   0.622% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    LYS+ 112  18.94 +/- 4.03   0.434% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HA    LYS+ 112  17.09 +/- 2.16   0.364% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+ 112  12.28 +/- 3.50   1.713% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 112  15.52 +/- 2.72   0.526% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LYS+ 112  24.66 +/- 1.34   0.103% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 112  17.37 +/- 1.57   0.322% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 112  16.66 +/- 1.12   0.340% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 112  19.73 +/- 1.98   0.216% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LYS+ 112  27.29 +/- 3.01   0.078% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 112  28.60 +/- 3.61   0.074% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1421 (0.36, 3.46, 61.33 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.07, residual support = 238.1:
    * O T HG2   LYS+ 112 - HA    LYS+ 112   3.21 +/- 0.58  88.268% * 99.8441% (1.00  10.0 10.00   6.07 238.14) =  99.990%  kept
          QB    ALA   47 - HA    LYS+ 112  11.01 +/- 2.81   8.110% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.007%
          QG1   VAL   42 - HA    LYS+ 112  11.27 +/- 2.13   3.622% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.52 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1422 (1.05, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 238.1:
    * O T HG3   LYS+ 112 - HA    LYS+ 112   3.09 +/- 0.66  91.702% * 99.8009% (1.00  10.0 10.00   5.76 238.14) =  99.995%  kept
          HG    LEU   63 - HA    LYS+ 112  12.52 +/- 2.95   2.581% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL  108 - HA    LYS+ 112   9.64 +/- 0.84   4.315% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL   24 - HA    LYS+ 112  19.88 +/- 3.22   0.684% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    LYS+ 112  17.54 +/- 2.45   0.717% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1423 (1.20, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.857, support = 6.11, residual support = 236.5:
      O T HB3   LYS+ 112 - HA    LYS+ 112   2.80 +/- 0.27  60.198% * 40.8068% (0.76  10.0 10.00   6.51 238.14) =  58.825%  kept
    *   T HD2   LYS+ 112 - HA    LYS+ 112   3.93 +/- 0.88  31.607% * 53.3960% (1.00   1.0 10.00   5.53 238.14) =  40.415%  kept
          HG3   LYS+ 111 - HA    LYS+ 112   6.38 +/- 0.73   5.568% *  5.6850% (0.38   1.0  1.00   5.67  28.75) =   0.758%  kept
          QG2   THR   94 - HA    LYS+ 112   9.99 +/- 1.84   1.758% *  0.0428% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   71 - HA    LYS+ 112  21.81 +/- 4.36   0.395% *  0.0529% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HA    LYS+ 112  15.44 +/- 2.90   0.474% *  0.0165% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1424 (3.46, 1.37, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 238.1:
    * O T HA    LYS+ 112 - HB2   LYS+ 112   2.64 +/- 0.21  92.714% * 98.8850% (1.00  10.0 10.00   6.00 238.14) =  99.989%  kept
        T HA    LYS+ 112 - HB    VAL   42  15.52 +/- 2.54   0.714% *  0.8336% (0.84   1.0 10.00   0.02   0.02) =   0.006%
          HB    THR   46 - HB2   LYS+ 112  13.29 +/- 4.14   3.193% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HB2   HIS  122 - HB    VAL   42  14.05 +/- 5.26   1.818% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   46 - HB    VAL   42  12.48 +/- 1.61   1.073% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - HB2   LYS+ 112  15.88 +/- 1.55   0.488% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1425 (1.37, 1.37, 32.81 ppm):
    2 diagonal assignments:
    *     HB2   LYS+ 112 - HB2   LYS+ 112  (1.00)  kept
          HB    VAL   42 - HB    VAL   42  (0.80)  kept
 
    Peak 1426 (0.36, 1.37, 32.81 ppm):
    6 chemical-shift based assignments, quality = 0.84, support = 5.55, residual support = 158.0:
      O T QG1   VAL   42 - HB    VAL   42   2.12 +/- 0.02  60.991% * 40.6012% (0.70  10.0 10.00   4.54  89.91) =  54.049%  kept
    * O T HG2   LYS+ 112 - HB2   LYS+ 112   2.55 +/- 0.23  36.494% * 57.6594% (1.00  10.0 10.00   6.74 238.14) =  45.928%  kept
        T QB    ALA   47 - HB2   LYS+ 112  11.47 +/- 3.22   1.657% *  0.4187% (0.73   1.0 10.00   0.02   0.02) =   0.015%
        T QG1   VAL   42 - HB2   LYS+ 112  12.71 +/- 2.41   0.397% *  0.4816% (0.84   1.0 10.00   0.02   0.02) =   0.004%
        T QB    ALA   47 - HB    VAL   42  14.13 +/- 1.71   0.277% *  0.3530% (0.61   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+ 112 - HB    VAL   42  17.13 +/- 3.65   0.184% *  0.4861% (0.84   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1427 (1.05, 1.37, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 238.1:
    * O T HG3   LYS+ 112 - HB2   LYS+ 112   2.83 +/- 0.24  76.459% * 98.8037% (1.00  10.0 10.00   5.76 238.14) =  99.978%  kept
          HG    LEU   63 - HB    VAL   42   8.68 +/- 2.46  11.776% *  0.0637% (0.64   1.0  1.00   0.02   0.02) =   0.010%
        T HG3   LYS+ 112 - HB    VAL   42  17.28 +/- 3.14   0.478% *  0.8329% (0.84   1.0 10.00   0.02   0.02) =   0.005%
          HG    LEU   63 - HB2   LYS+ 112  13.65 +/- 3.39   3.007% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          QG2   VAL   24 - HB    VAL   42  12.15 +/- 2.01   1.911% *  0.0505% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HB    VAL   42  10.23 +/- 4.60   3.418% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HB2   LYS+ 112  11.27 +/- 0.97   1.342% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HB    VAL   42  12.39 +/- 1.56   1.043% *  0.0313% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LYS+ 112  20.94 +/- 3.88   0.310% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB2   LYS+ 112  19.58 +/- 2.40   0.256% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1428 (1.20, 1.37, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.8, support = 7.04, residual support = 237.7:
      O T HB3   LYS+ 112 - HB2   LYS+ 112   1.75 +/- 0.00  83.022% * 40.4574% (0.76  10.0 10.00   7.19 238.14) =  84.165%  kept
    * O T HD2   LYS+ 112 - HB2   LYS+ 112   3.59 +/- 0.47  11.781% * 52.9389% (1.00  10.0 10.00   6.23 238.14) =  15.628%  kept
          HG3   LYS+ 111 - HB2   LYS+ 112   7.31 +/- 0.89   1.433% *  5.5947% (0.38   1.0  1.00   5.63  28.75) =   0.201%  kept
          HB3   LEU   71 - HB    VAL   42   8.86 +/- 2.53   1.870% *  0.0442% (0.84   1.0  1.00   0.02   0.84) =   0.002%
        T HD2   LYS+ 112 - HB    VAL   42  17.48 +/- 3.75   0.146% *  0.4463% (0.84   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   LYS+ 112 - HB    VAL   42  17.50 +/- 2.92   0.117% *  0.3411% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   94 - HB    VAL   42   9.79 +/- 1.23   0.555% *  0.0357% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   94 - HB2   LYS+ 112  11.56 +/- 2.07   0.413% *  0.0424% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 112  23.02 +/- 5.29   0.163% *  0.0525% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    VAL   42  13.04 +/- 1.87   0.277% *  0.0138% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 112  17.17 +/- 3.23   0.129% *  0.0163% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   42  18.27 +/- 2.70   0.094% *  0.0167% (0.32   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1429 (3.46, 0.36, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.07, residual support = 238.1:
    * O T HA    LYS+ 112 - HG2   LYS+ 112   3.21 +/- 0.58  83.464% * 99.8459% (1.00  10.0 10.00   6.07 238.14) =  99.987%  kept
          HB    THR   46 - HG2   LYS+ 112  13.17 +/- 4.63  15.568% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.012%
          HB2   HIS  122 - HG2   LYS+ 112  15.87 +/- 2.15   0.968% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.70 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1430 (1.37, 0.36, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 238.1:
    * O T HB2   LYS+ 112 - HG2   LYS+ 112   2.55 +/- 0.23  81.515% * 98.3538% (1.00  10.0 10.00   6.74 238.14) =  99.984%  kept
          HB3   PRO   93 - HG2   LYS+ 112   9.33 +/- 4.41  13.552% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.008%
        T HB    VAL   42 - HG2   LYS+ 112  17.13 +/- 3.65   0.467% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.005%
          HB3   LEU   73 - HG2   LYS+ 112  20.15 +/- 5.05   0.454% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HG2   LYS+ 112  17.25 +/- 2.95   0.430% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG2   LYS+ 112  16.31 +/- 2.27   0.390% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG2   LYS+ 112  13.61 +/- 4.46   1.750% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 112  16.46 +/- 3.68   0.468% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 112  16.98 +/- 1.73   0.351% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG2   LYS+ 112  26.58 +/- 2.05   0.080% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 112  19.01 +/- 2.27   0.239% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG2   LYS+ 112  28.74 +/- 3.76   0.073% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+ 112  21.55 +/- 2.85   0.170% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 112  29.32 +/- 3.51   0.063% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1431 (0.36, 0.36, 25.56 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 112 - HG2   LYS+ 112  (1.00)  kept
 
    Peak 1432 (1.05, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 238.1:
    * O T HG3   LYS+ 112 - HG2   LYS+ 112   1.75 +/- 0.00  98.905% * 99.8009% (1.00  10.0 10.00   6.98 238.14) =  99.999%  kept
          HG    LEU   63 - HG2   LYS+ 112  13.38 +/- 2.90   0.419% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG2   LYS+ 112  11.40 +/- 1.50   0.501% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HG2   LYS+ 112  20.91 +/- 4.01   0.091% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG2   LYS+ 112  19.44 +/- 2.58   0.084% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1433 (1.20, 0.36, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.894, support = 6.77, residual support = 237.4:
    * O T HD2   LYS+ 112 - HG2   LYS+ 112   2.79 +/- 0.24  46.656% * 53.0065% (1.00  10.0 10.00   6.56 238.14) =  55.533%  kept
      O T HB3   LYS+ 112 - HG2   LYS+ 112   2.75 +/- 0.25  48.492% * 40.5091% (0.76  10.0 10.00   7.03 238.14) =  44.110%  kept
          HG3   LYS+ 111 - HG2   LYS+ 112   7.86 +/- 1.02   2.486% *  6.3731% (0.38   1.0  1.00   6.41  28.75) =   0.356%  kept
          QG2   THR   94 - HG2   LYS+ 112  11.54 +/- 2.53   1.375% *  0.0424% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HG2   LYS+ 112  22.95 +/- 5.32   0.611% *  0.0525% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HG2   LYS+ 112  17.09 +/- 3.83   0.381% *  0.0164% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1434 (3.46, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 238.1:
    * O T HA    LYS+ 112 - HG3   LYS+ 112   3.09 +/- 0.66  90.142% * 99.8459% (1.00  10.0 10.00   5.76 238.14) =  99.993%  kept
          HB    THR   46 - HG3   LYS+ 112  13.18 +/- 4.65   8.947% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.006%
          HB2   HIS  122 - HG3   LYS+ 112  16.50 +/- 2.04   0.912% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.94 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1435 (1.37, 1.05, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 238.1:
    * O T HB2   LYS+ 112 - HG3   LYS+ 112   2.83 +/- 0.24  75.431% * 98.3538% (1.00  10.0 10.00   5.76 238.14) =  99.979%  kept
          HB3   PRO   93 - HG3   LYS+ 112   9.11 +/- 4.31  19.114% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.012%
        T HB    VAL   42 - HG3   LYS+ 112  17.28 +/- 3.14   0.412% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.005%
          HG3   LYS+ 106 - HG3   LYS+ 112  16.12 +/- 2.15   0.501% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HG3   LYS+ 112  17.76 +/- 2.92   0.478% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HG3   LYS+ 112  20.38 +/- 4.63   0.336% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 112  13.70 +/- 4.32   2.051% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 112  16.34 +/- 3.76   0.579% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 112  26.49 +/- 2.06   0.099% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 112  17.50 +/- 1.77   0.360% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 112  18.98 +/- 2.17   0.270% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 112  28.98 +/- 3.05   0.081% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 112  21.53 +/- 2.65   0.200% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 112  29.66 +/- 3.51   0.088% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1436 (0.36, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 238.1:
    * O T HG2   LYS+ 112 - HG3   LYS+ 112   1.75 +/- 0.00  97.426% * 99.8441% (1.00  10.0 10.00   6.98 238.14) =  99.998%  kept
          QB    ALA   47 - HG3   LYS+ 112  11.25 +/- 3.60   2.163% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   42 - HG3   LYS+ 112  12.79 +/- 2.62   0.411% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1437 (1.05, 1.05, 25.56 ppm):
    1 diagonal assignment:
    *     HG3   LYS+ 112 - HG3   LYS+ 112  (1.00)  kept
 
    Peak 1438 (1.20, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.906, support = 6.15, residual support = 237.2:
    * O T HD2   LYS+ 112 - HG3   LYS+ 112   2.44 +/- 0.17  51.864% * 53.1852% (1.00  10.0 10.00   5.58 238.14) =  60.752%  kept
      O   HB3   LYS+ 112 - HG3   LYS+ 112   2.62 +/- 0.28  43.351% * 40.6456% (0.76  10.0  1.00   7.04 238.14) =  38.807%  kept
          HG3   LYS+ 111 - HG3   LYS+ 112   7.19 +/- 1.17   3.297% *  6.0575% (0.38   1.0  1.00   6.07  28.75) =   0.440%  kept
          QG2   THR   94 - HG3   LYS+ 112  11.34 +/- 2.47   0.886% *  0.0426% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HG3   LYS+ 112  23.20 +/- 5.09   0.323% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+ 112  16.82 +/- 3.92   0.279% *  0.0164% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1439 (3.46, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.53, residual support = 238.1:
    *   T HA    LYS+ 112 - HD2   LYS+ 112   3.93 +/- 0.88  88.531% * 99.8459% (1.00 10.00   5.53 238.14) =  99.991%  kept
          HB    THR   46 - HD2   LYS+ 112  13.38 +/- 4.84   9.126% *  0.0646% (0.65  1.00   0.02   0.02) =   0.007%
          HB2   HIS  122 - HD2   LYS+ 112  16.78 +/- 2.45   2.343% *  0.0895% (0.90  1.00   0.02   0.02) =   0.002%
    Distance limit 5.05 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1440 (1.37, 1.20, 29.98 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.23, residual support = 238.0:
    * O T HB2   LYS+ 112 - HD2   LYS+ 112   3.59 +/- 0.47  62.246% * 98.3538% (1.00  10.0 10.00   6.23 238.14) =  99.960%  kept
          HB3   PRO   93 - HD2   LYS+ 112   9.57 +/- 4.39  22.381% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.017%
        T HB    VAL   42 - HD2   LYS+ 112  17.48 +/- 3.75   0.865% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.013%
          HG3   LYS+ 106 - HD2   LYS+ 112  16.61 +/- 2.86   1.670% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HD2   LYS+ 112  13.82 +/- 4.84   7.892% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HD2   LYS+ 112  17.69 +/- 3.16   1.127% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - HD2   LYS+ 112  20.52 +/- 4.80   0.557% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HD2   LYS+ 112  16.62 +/- 3.98   1.103% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HD2   LYS+ 112  26.89 +/- 2.89   0.198% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 112  21.84 +/- 3.30   0.488% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 112  19.28 +/- 2.77   0.570% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 112  17.72 +/- 1.95   0.622% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HD2   LYS+ 112  29.15 +/- 3.75   0.144% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 112  29.77 +/- 3.70   0.137% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1441 (0.36, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.56, residual support = 238.1:
    * O T HG2   LYS+ 112 - HD2   LYS+ 112   2.79 +/- 0.24  91.569% * 99.8441% (1.00  10.0 10.00   6.56 238.14) =  99.993%  kept
          QB    ALA   47 - HD2   LYS+ 112  11.46 +/- 3.87   6.352% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL   42 - HD2   LYS+ 112  12.98 +/- 3.12   2.079% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1442 (1.05, 1.20, 29.98 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.58, residual support = 238.1:
    * O T HG3   LYS+ 112 - HD2   LYS+ 112   2.44 +/- 0.17  95.708% * 99.8009% (1.00  10.0 10.00   5.58 238.14) =  99.998%  kept
          HG    LEU   63 - HD2   LYS+ 112  13.92 +/- 3.35   1.864% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HD2   LYS+ 112  11.55 +/- 2.09   1.959% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HD2   LYS+ 112  21.10 +/- 3.91   0.231% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD2   LYS+ 112  19.87 +/- 2.53   0.237% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1443 (1.20, 1.20, 29.98 ppm):
    1 diagonal assignment:
    *     HD2   LYS+ 112 - HD2   LYS+ 112  (1.00)  kept
 
    Peak 1444 (4.37, 4.37, 57.38 ppm):
    1 diagonal assignment:
    *     HA    ASP- 113 - HA    ASP- 113  (1.00)  kept
 
    Peak 1445 (2.68, 4.37, 57.38 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.0, residual support = 14.4:
    * O T QB    ASP- 113 - HA    ASP- 113   2.45 +/- 0.12 100.000% *100.0000% (1.00  10.0 10.00   2.00  14.45) = 100.000%  kept
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1446 (4.37, 2.68, 39.79 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 14.4:
    * O T HA    ASP- 113 - QB    ASP- 113   2.45 +/- 0.12  96.802% * 99.1713% (1.00  10.0 10.00   2.00  14.45) =  99.993%  kept
        T HA    PHE   59 - QB    ASP- 113  12.04 +/- 1.20   0.895% *  0.5615% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          HA    ILE   56 - QB    ASP- 113  10.60 +/- 1.70   1.567% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - QB    ASP- 113  14.84 +/- 1.16   0.491% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    ASP- 113  21.72 +/- 2.50   0.164% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    ASP- 113  26.97 +/- 3.21   0.081% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1447 (2.68, 2.68, 39.79 ppm):
    1 diagonal assignment:
    *     QB    ASP- 113 - QB    ASP- 113  (1.00)  kept
 
    Peak 1448 (4.14, 4.14, 59.59 ppm):
    2 diagonal assignments:
    *     HA    GLU- 114 - HA    GLU- 114  (1.00)  kept
          HA    LEU  115 - HA    LEU  115  (0.32)  kept
 
    Peak 1449 (2.00, 4.14, 59.59 ppm):
    22 chemical-shift based assignments, quality = 0.887, support = 3.56, residual support = 49.8:
    * O T QB    GLU- 114 - HA    GLU- 114   2.22 +/- 0.08  51.958% * 56.5460% (0.97  10.0 10.00   3.30  43.00) =  88.651%  kept
        T QB    GLU- 114 - HA    LEU  115   4.42 +/- 0.28   7.160% * 26.0231% (0.44   1.0 10.00   5.20  20.73) =   5.622%  kept
      O T HB2   LEU  115 - HA    LEU  115   2.75 +/- 0.22  28.611% *  5.3364% (0.09  10.0 10.00   6.33 222.88) =   4.607%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.67 +/- 0.20   3.179% * 11.5954% (0.20   1.0 10.00   4.35  20.73) =   1.112%  kept
          HB2   LYS+ 111 - HA    GLU- 114   5.71 +/- 1.17   4.404% *  0.0425% (0.73   1.0  1.00   0.02   1.77) =   0.006%
          HB2   LYS+ 111 - HA    LEU  115   7.52 +/- 1.76   2.147% *  0.0196% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HA    GLU- 114  20.82 +/- 4.93   0.199% *  0.0508% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    LEU  115  10.97 +/- 2.50   1.103% *  0.0060% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 114  22.13 +/- 4.52   0.170% *  0.0241% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  14.12 +/- 2.35   0.280% *  0.0130% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  18.27 +/- 3.70   0.145% *  0.0234% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 114  25.38 +/- 5.04   0.068% *  0.0469% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  24.56 +/- 3.63   0.058% *  0.0541% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 114  26.27 +/- 4.09   0.042% *  0.0469% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  20.98 +/- 2.53   0.075% *  0.0249% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LEU  115  21.84 +/- 3.98   0.079% *  0.0216% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU- 114  29.74 +/- 4.35   0.029% *  0.0554% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  19.50 +/- 3.06   0.104% *  0.0111% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LEU  115  23.41 +/- 2.96   0.051% *  0.0216% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU  115  26.45 +/- 3.60   0.040% *  0.0255% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 114  25.94 +/- 3.19   0.041% *  0.0079% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  22.45 +/- 2.59   0.058% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1450 (2.31, 4.14, 59.59 ppm):
    14 chemical-shift based assignments, quality = 0.84, support = 3.83, residual support = 36.5:
    * O T QG    GLU- 114 - HA    GLU- 114   3.25 +/- 0.21  48.885% * 68.1764% (1.00  10.0 10.00   3.42  43.00) =  70.704%  kept
        T QG    GLU- 114 - HA    LEU  115   3.66 +/- 0.99  44.005% * 31.3756% (0.46   1.0 10.00   4.81  20.73) =  29.291%  kept
          HG2   PRO   52 - HA    LEU  115  12.71 +/- 3.38   3.163% *  0.0216% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   92 - HA    GLU- 114  15.93 +/- 3.00   0.800% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HA    GLU- 114  14.58 +/- 3.87   1.084% *  0.0469% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   92 - HA    LEU  115  14.40 +/- 2.98   0.985% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HA    GLU- 114  23.35 +/- 4.23   0.295% *  0.0670% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    LEU  115  19.89 +/- 3.30   0.349% *  0.0308% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU- 114  31.45 +/- 3.50   0.060% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    LEU  115  28.56 +/- 2.93   0.081% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU- 114  30.88 +/- 4.78   0.074% *  0.0333% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    LEU  115  27.68 +/- 4.11   0.100% *  0.0153% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLU- 114  33.69 +/- 4.55   0.054% *  0.0233% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    LEU  115  30.96 +/- 3.63   0.065% *  0.0107% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1451 (4.14, 2.00, 29.90 ppm):
    8 chemical-shift based assignments, quality = 0.939, support = 3.46, residual support = 41.0:
    * O T HA    GLU- 114 - QB    GLU- 114   2.22 +/- 0.08  85.749% * 59.0968% (0.97  10.0 10.00   3.30  43.00) =  91.219%  kept
        T HA    LEU  115 - QB    GLU- 114   4.42 +/- 0.28  12.014% * 40.5940% (0.66   1.0 10.00   5.20  20.73) =   8.779%  kept
        T HA    ARG+  54 - QB    GLU- 114  13.39 +/- 2.16   0.514% *  0.1035% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QB    GLU- 114  11.12 +/- 2.69   1.314% *  0.0117% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    GLU- 114  21.13 +/- 2.07   0.112% *  0.0570% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QB    GLU- 114  22.83 +/- 2.69   0.100% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    GLU- 114  22.44 +/- 3.31   0.123% *  0.0382% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    GLU- 114  25.25 +/- 3.42   0.075% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1452 (2.00, 2.00, 29.90 ppm):
    1 diagonal assignment:
    *     QB    GLU- 114 - QB    GLU- 114  (0.93)  kept
 
    Peak 1453 (2.31, 2.00, 29.90 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 3.89, residual support = 43.0:
    * O T QG    GLU- 114 - QB    GLU- 114   2.07 +/- 0.05  96.861% * 99.1187% (0.96  10.0 10.00   3.89  43.00) =  99.997%  kept
          HG2   MET   92 - QB    GLU- 114  13.01 +/- 2.75   1.214% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - QB    GLU- 114  12.24 +/- 3.95   1.530% *  0.0682% (0.66   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLU-  25 - QB    GLU- 114  27.00 +/- 4.19   0.058% *  0.4835% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - QB    GLU- 114  20.02 +/- 3.72   0.251% *  0.0974% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    GLU- 114  27.93 +/- 2.91   0.045% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    GLU- 114  30.09 +/- 4.04   0.040% *  0.0339% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1454 (4.14, 2.31, 37.32 ppm):
    8 chemical-shift based assignments, quality = 0.878, support = 3.95, residual support = 34.5:
    * O T HA    GLU- 114 - QG    GLU- 114   3.25 +/- 0.21  49.234% * 59.1519% (1.00  10.0 10.00   3.42  43.00) =  61.788%  kept
        T HA    LEU  115 - QG    GLU- 114   3.66 +/- 0.99  44.324% * 40.6319% (0.69   1.0 10.00   4.81  20.73) =  38.210%  kept
          HA    CYS   53 - QG    GLU- 114  10.06 +/- 2.62   4.441% *  0.0117% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    ARG+  54 - QG    GLU- 114  12.32 +/- 2.17   1.309% *  0.0104% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG    GLU- 114  20.81 +/- 2.02   0.203% *  0.0571% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG    GLU- 114  22.35 +/- 2.23   0.169% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    GLU- 114  21.75 +/- 2.63   0.191% *  0.0383% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QG    GLU- 114  24.47 +/- 2.77   0.129% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1455 (2.00, 2.31, 37.32 ppm):
    11 chemical-shift based assignments, quality = 0.949, support = 3.85, residual support = 42.0:
    * O T QB    GLU- 114 - QG    GLU- 114   2.07 +/- 0.05  56.243% * 90.5935% (0.96  10.0 10.00   3.89  43.00) =  96.951%  kept
          HB2   LYS+ 111 - QG    GLU- 114   3.72 +/- 1.72  28.792% *  3.1789% (0.72   1.0  1.00   0.93   1.77) =   1.742%  kept
          HB2   LEU  115 - QG    GLU- 114   3.83 +/- 1.05  13.866% *  4.9489% (0.20   1.0  1.00   5.33  20.73) =   1.306%  kept
        T HB3   GLU-  25 - QG    GLU- 114  25.15 +/- 3.27   0.042% *  0.8880% (0.94   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QG    GLU- 114  18.66 +/- 4.09   0.211% *  0.0814% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG    GLU- 114  12.03 +/- 2.15   0.429% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG    GLU- 114  21.00 +/- 2.81   0.073% *  0.0867% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG    GLU- 114  19.83 +/- 3.63   0.156% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG    GLU- 114  22.07 +/- 3.97   0.079% *  0.0752% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG    GLU- 114  23.02 +/- 3.17   0.053% *  0.0752% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLU- 114  22.09 +/- 2.41   0.056% *  0.0127% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1456 (2.31, 2.31, 37.32 ppm):
    1 diagonal assignment:
    *     QG    GLU- 114 - QG    GLU- 114  (1.00)  kept
 
    Peak 1457 (4.12, 4.12, 59.41 ppm):
    3 diagonal assignments:
    *     HA    LEU  115 - HA    LEU  115  (0.70)  kept
          HA    ARG+  54 - HA    ARG+  54  (0.43)  kept
          HA    GLU- 114 - HA    GLU- 114  (0.08)  kept
 
    Peak 1458 (1.98, 4.12, 59.41 ppm):
    24 chemical-shift based assignments, quality = 0.622, support = 5.71, residual support = 182.5:
    * O T HB2   LEU  115 - HA    LEU  115   2.75 +/- 0.22  20.617% * 53.2760% (0.84  10.0 10.00   6.33 222.88) =  69.369%  kept
      O   HB3   ARG+  54 - HA    ARG+  54   2.59 +/- 0.22  24.538% *  8.3051% (0.13  10.0  1.00   4.76 170.49) =  12.870%  kept
      O T QB    GLU- 114 - HA    GLU- 114   2.22 +/- 0.08  36.710% *  4.4990% (0.07  10.0 10.00   3.30  43.00) =  10.431%  kept
        T QB    GLU- 114 - HA    LEU  115   4.42 +/- 0.28   4.990% * 16.4435% (0.26   1.0 10.00   5.20  20.73) =   5.182%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.67 +/- 0.20   2.234% * 14.5766% (0.23   1.0 10.00   4.35  20.73) =   2.056%  kept
        T HB2   LEU  115 - HA    ARG+  54  10.83 +/- 2.17   0.454% *  2.4810% (0.47   1.0 10.00   0.17   0.02) =   0.071%
          HG3   PRO   58 - HA    ARG+  54   7.37 +/- 2.56   7.346% *  0.0298% (0.47   1.0  1.00   0.02   0.02) =   0.014%
          HG3   PRO   58 - HA    LEU  115  10.97 +/- 2.50   0.798% *  0.0532% (0.83   1.0  1.00   0.02   0.02) =   0.003%
        T QB    GLU- 114 - HA    ARG+  54  13.39 +/- 2.16   0.218% *  0.0922% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   67 - HA    LEU  115  16.43 +/- 2.63   0.137% *  0.0427% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    ARG+  54  17.12 +/- 3.84   0.222% *  0.0239% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    GLU- 114  19.57 +/- 4.26   0.383% *  0.0117% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU  115  13.75 +/- 2.57   0.262% *  0.0148% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU  115  18.12 +/- 4.27   0.114% *  0.0280% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  14.12 +/- 2.35   0.200% *  0.0145% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  18.27 +/- 3.70   0.105% *  0.0239% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ARG+  54  18.76 +/- 3.97   0.088% *  0.0157% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ARG+  54  18.77 +/- 3.78   0.090% *  0.0134% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  20.98 +/- 2.53   0.052% *  0.0200% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  20.82 +/- 4.93   0.149% *  0.0065% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU- 114  21.72 +/- 5.20   0.090% *  0.0077% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ARG+  54  21.82 +/- 3.78   0.054% *  0.0112% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU- 114  16.39 +/- 2.06   0.110% *  0.0041% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  24.56 +/- 3.63   0.041% *  0.0055% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1459 (1.48, 4.12, 59.41 ppm):
    30 chemical-shift based assignments, quality = 0.52, support = 6.3, residual support = 218.1:
    * O T HG    LEU  115 - HA    LEU  115   3.46 +/- 0.55  26.450% * 55.7433% (0.72  10.0 10.00   6.17 222.88) =  56.825%  kept
      O T HB3   LEU  115 - HA    LEU  115   2.47 +/- 0.31  53.398% * 19.8345% (0.26  10.0 10.00   6.63 222.88) =  40.819%  kept
        T HG    LEU  115 - HA    GLU- 114   6.94 +/- 0.65   2.551% * 15.2517% (0.20   1.0 10.00   3.91  20.73) =   1.500%  kept
        T HB3   LEU  115 - HA    GLU- 114   6.14 +/- 0.32   3.717% *  5.4268% (0.07   1.0 10.00   3.73  20.73) =   0.778%  kept
        T HB3   LEU  115 - HA    ARG+  54  10.89 +/- 2.54   0.918% *  0.9552% (0.14   1.0 10.00   0.17   0.02) =   0.034%
        T HG    LEU  115 - HA    ARG+  54  10.22 +/- 2.34   1.406% *  0.3125% (0.41   1.0 10.00   0.02   0.02) =   0.017%
        T HB3   LEU   40 - HA    LEU  115  17.73 +/- 3.18   0.201% *  0.6369% (0.83   1.0 10.00   0.02   0.02) =   0.005%
          QB    ALA  120 - HA    LEU  115   7.55 +/- 0.57   1.955% *  0.0557% (0.72   1.0  1.00   0.02   0.02) =   0.004%
        T HG    LEU   67 - HA    ARG+  54  16.76 +/- 4.08   0.653% *  0.1481% (0.19   1.0 10.00   0.02   0.02) =   0.004%
        T HB3   LEU   40 - HA    ARG+  54  21.25 +/- 5.14   0.205% *  0.3571% (0.46   1.0 10.00   0.02   0.02) =   0.003%
        T HG    LEU   67 - HA    LEU  115  16.20 +/- 2.89   0.255% *  0.2642% (0.34   1.0 10.00   0.02   0.02) =   0.003%
        T HG    LEU   40 - HA    LEU  115  16.36 +/- 2.96   0.273% *  0.1983% (0.26   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA  120 - HA    GLU- 114   7.51 +/- 0.56   1.896% *  0.0153% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   THR   26 - HA    LEU  115  20.18 +/- 2.66   0.121% *  0.2192% (0.28   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HA    ARG+  54  19.86 +/- 4.58   0.214% *  0.1112% (0.14   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LEU   40 - HA    GLU- 114  20.39 +/- 3.51   0.119% *  0.1743% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HA    LEU  115   9.49 +/- 1.41   1.256% *  0.0143% (0.19   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HA    ARG+  54  14.52 +/- 2.16   0.340% *  0.0313% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU  115  16.48 +/- 3.54   0.269% *  0.0390% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ARG+  54  15.65 +/- 3.59   0.450% *  0.0219% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    GLU- 114  19.08 +/- 3.49   0.159% *  0.0543% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    GLU- 114  23.14 +/- 3.12   0.094% *  0.0600% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ARG+  54  14.06 +/- 2.60   0.428% *  0.0100% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU- 114  11.44 +/- 2.30   1.019% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ARG+  54  17.07 +/- 3.56   0.494% *  0.0080% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  115  16.11 +/- 2.06   0.221% *  0.0179% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ARG+  54  20.17 +/- 3.47   0.244% *  0.0123% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU- 114  19.19 +/- 4.38   0.320% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU- 114  20.38 +/- 4.24   0.211% *  0.0107% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU- 114  19.60 +/- 3.09   0.162% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1460 (0.43, 4.12, 59.41 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 6.15, residual support = 210.0:
    *   T QD1   LEU  115 - HA    LEU  115   3.39 +/- 0.71  63.933% * 75.2328% (0.84 10.00   6.33 222.88) =  93.769%  kept
        T QD1   LEU  115 - HA    GLU- 114   6.49 +/- 0.54  12.301% * 20.5841% (0.23 10.00   4.35  20.73) =   4.936%  kept
        T QD1   LEU  115 - HA    ARG+  54   7.99 +/- 2.40  16.324% *  4.0526% (0.47 10.00   0.19   0.02) =   1.290%  kept
          QG1   VAL   75 - HA    LEU  115  12.68 +/- 1.95   1.675% *  0.0712% (0.79  1.00   0.02   0.02) =   0.002%
          QG1   VAL   75 - HA    ARG+  54  12.41 +/- 2.34   2.586% *  0.0399% (0.44  1.00   0.02   0.02) =   0.002%
          QG1   VAL   75 - HA    GLU- 114  15.55 +/- 3.09   3.181% *  0.0195% (0.22  1.00   0.02   0.02) =   0.001%
    Distance limit 3.93 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1461 (0.59, 4.12, 59.41 ppm):
    21 chemical-shift based assignments, quality = 0.779, support = 7.31, residual support = 213.1:
    *   T QD2   LEU  115 - HA    LEU  115   3.04 +/- 0.59  45.858% * 74.0517% (0.81 10.00   7.49 222.88) =  95.225%  kept
        T QD2   LEU  115 - HA    GLU- 114   6.13 +/- 0.57   7.150% * 20.2610% (0.22 10.00   4.35  20.73) =   4.062%  kept
        T QD2   LEU  115 - HA    ARG+  54   8.46 +/- 2.12   4.664% *  4.8497% (0.45 10.00   0.23   0.02) =   0.634%  kept
          QD1   LEU   63 - HA    LEU  115   8.10 +/- 2.74   5.513% *  0.3070% (0.79  1.00   0.08   0.02) =   0.047%
          QD1   LEU   63 - HA    ARG+  54  10.07 +/- 2.87  10.279% *  0.0407% (0.44  1.00   0.02   0.02) =   0.012%
          QD2   LEU   63 - HA    LEU  115   8.91 +/- 2.60   5.125% *  0.0288% (0.31  1.00   0.02   0.02) =   0.004%
          QD1   LEU   73 - HA    LEU  115  14.89 +/- 3.86   2.026% *  0.0726% (0.79  1.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - HA    ARG+  54  11.22 +/- 3.20   4.708% *  0.0161% (0.18  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - HA    LEU  115  13.19 +/- 3.38   0.999% *  0.0586% (0.64  1.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - HA    GLU- 114  11.68 +/- 3.67   6.907% *  0.0079% (0.09  1.00   0.02   0.02) =   0.002%
          QD1   LEU   63 - HA    GLU- 114  11.15 +/- 3.39   2.194% *  0.0199% (0.22  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HA    ARG+  54  15.78 +/- 3.85   1.009% *  0.0407% (0.44  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HA    ARG+  54  17.62 +/- 3.74   0.834% *  0.0407% (0.44  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HA    LEU  115  18.50 +/- 2.90   0.288% *  0.0726% (0.79  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HA    GLU- 114  17.80 +/- 4.02   0.548% *  0.0199% (0.22  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLU- 114  14.92 +/- 3.17   0.671% *  0.0160% (0.17  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ARG+  54  19.23 +/- 3.38   0.257% *  0.0329% (0.36  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  115  17.84 +/- 1.78   0.271% *  0.0237% (0.26  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    ARG+  54  18.55 +/- 2.82   0.336% *  0.0133% (0.14  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLU- 114  21.14 +/- 3.80   0.183% *  0.0199% (0.22  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLU- 114  20.22 +/- 2.84   0.182% *  0.0065% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1462 (4.12, 1.98, 42.01 ppm):
    9 chemical-shift based assignments, quality = 0.812, support = 6.22, residual support = 212.9:
    * O T HA    LEU  115 - HB2   LEU  115   2.75 +/- 0.22  86.155% * 66.4681% (0.84  10.0 10.00   6.33 222.88) =  95.087%  kept
        T HA    GLU- 114 - HB2   LEU  115   5.67 +/- 0.20  10.418% * 27.1443% (0.34   1.0 10.00   4.35  20.73) =   4.696%  kept
        T HA    ARG+  54 - HB2   LEU  115  10.83 +/- 2.17   2.130% *  6.1014% (0.92   1.0 10.00   0.17   0.02) =   0.216%  kept
          HA    ALA  124 - HB2   LEU  115  17.69 +/- 0.99   0.342% *  0.0665% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   LEU  115  23.28 +/- 3.63   0.204% *  0.0690% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   LEU  115  19.55 +/- 2.72   0.343% *  0.0327% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   LEU  115  23.64 +/- 2.89   0.169% *  0.0547% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   LEU  115  23.50 +/- 1.66   0.148% *  0.0387% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   LEU  115  28.88 +/- 3.20   0.089% *  0.0246% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1463 (1.98, 1.98, 42.01 ppm):
    1 diagonal assignment:
    *     HB2   LEU  115 - HB2   LEU  115  (1.00)  kept
 
    Peak 1464 (1.48, 1.98, 42.01 ppm):
    10 chemical-shift based assignments, quality = 0.574, support = 6.2, residual support = 222.9:
      O T HB3   LEU  115 - HB2   LEU  115   1.75 +/- 0.00  74.401% * 25.8976% (0.31  10.0 10.00   6.31 222.88) =  52.452%  kept
    * O T HG    LEU  115 - HB2   LEU  115   2.62 +/- 0.25  23.996% * 72.7830% (0.87  10.0 10.00   6.08 222.88) =  47.544%  kept
        T HB3   LEU   40 - HB2   LEU  115  18.58 +/- 2.76   0.081% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA  120 - HB2   LEU  115   8.84 +/- 0.67   0.623% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HB2   LEU  115  17.15 +/- 2.56   0.103% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HB2   LEU  115  16.69 +/- 3.57   0.139% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  115  11.61 +/- 1.35   0.299% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU  115  16.43 +/- 2.95   0.156% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  115  15.80 +/- 2.65   0.146% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  115  20.65 +/- 2.94   0.055% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1465 (0.43, 1.98, 42.01 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 222.9:
    * O T QD1   LEU  115 - HB2   LEU  115   2.50 +/- 0.43  98.642% * 99.9055% (1.00  10.0 10.00   6.00 222.88) =  99.999%  kept
          QG1   VAL   75 - HB2   LEU  115  12.62 +/- 1.98   1.358% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1466 (0.59, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.964, support = 7.17, residual support = 222.7:
    * O T QD2   LEU  115 - HB2   LEU  115   2.80 +/- 0.43  67.060% * 99.2451% (0.97  10.0 10.00   7.18 222.88) =  99.905%  kept
          QD1   LEU   63 - HB2   LEU  115   8.35 +/- 2.83  12.896% *  0.4114% (0.95   1.0  1.00   0.08   0.02) =   0.080%
          QD2   LEU   63 - HB2   LEU  115   9.26 +/- 2.80  15.357% *  0.0386% (0.38   1.0  1.00   0.02   0.02) =   0.009%
          QD1   LEU   73 - HB2   LEU  115  15.23 +/- 4.13   3.333% *  0.0973% (0.95   1.0  1.00   0.02   0.02) =   0.005%
          QD1   LEU  104 - HB2   LEU  115  14.32 +/- 2.96   0.746% *  0.0786% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB2   LEU  115  18.36 +/- 3.01   0.290% *  0.0973% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  115  17.87 +/- 2.07   0.319% *  0.0317% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1467 (4.12, 1.48, 26.92 ppm):
    18 chemical-shift based assignments, quality = 0.699, support = 6.03, residual support = 210.6:
    * O T HA    LEU  115 - HG    LEU  115   3.46 +/- 0.55  60.240% * 69.7478% (0.72  10.0 10.00   6.17 222.88) =  93.942%  kept
        T HA    GLU- 114 - HG    LEU  115   6.94 +/- 0.65   9.309% * 28.4836% (0.30   1.0 10.00   3.91  20.73) =   5.929%  kept
        T HA    ARG+  54 - HG    LEU  115  10.22 +/- 2.34   6.279% *  0.7708% (0.80   1.0 10.00   0.02   0.02) =   0.108%  kept
        T HA    LEU  115 - HG    LEU   40  16.36 +/- 2.96   1.047% *  0.2369% (0.25   1.0 10.00   0.02   0.02) =   0.006%
          HA    ALA   34 - HG    LEU   40   9.15 +/- 2.20  11.842% *  0.0195% (0.20   1.0  1.00   0.02   0.53) =   0.005%
        T HA    ARG+  54 - HG    LEU   40  19.86 +/- 4.58   0.676% *  0.2618% (0.27   1.0 10.00   0.02   0.02) =   0.004%
        T HA    GLU- 114 - HG    LEU   40  19.08 +/- 3.49   0.585% *  0.0967% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG    LEU  115  16.71 +/- 1.33   0.639% *  0.0697% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HG    LEU   40  14.03 +/- 2.25   1.629% *  0.0246% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HG    LEU  115  22.63 +/- 3.93   0.542% *  0.0724% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - HG    LEU   40  15.51 +/- 7.25   2.157% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG    LEU   40  20.86 +/- 6.53   0.858% *  0.0237% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG    LEU  115  22.95 +/- 3.15   0.345% *  0.0574% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU  115  19.42 +/- 3.15   0.473% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   40  20.35 +/- 4.05   1.348% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   40  13.53 +/- 2.02   1.615% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU  115  23.51 +/- 2.09   0.252% *  0.0406% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU  115  28.20 +/- 3.42   0.164% *  0.0258% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1468 (1.98, 1.48, 26.92 ppm):
    16 chemical-shift based assignments, quality = 0.864, support = 6.07, residual support = 221.8:
    * O T HB2   LEU  115 - HG    LEU  115   2.62 +/- 0.25  70.283% * 92.2285% (0.87  10.0 10.00   6.08 222.88) =  99.488%  kept
          QB    GLU- 114 - HG    LEU  115   6.44 +/- 0.49   5.113% *  6.1348% (0.27   1.0  1.00   4.31  20.73) =   0.481%  kept
          HG3   PRO   58 - HG    LEU  115   9.12 +/- 2.19   8.538% *  0.0920% (0.87   1.0  1.00   0.02   0.02) =   0.012%
        T HB2   LEU   67 - HG    LEU   40   8.79 +/- 1.51   2.444% *  0.2508% (0.24   1.0 10.00   0.02   0.02) =   0.009%
        T HB2   LEU   67 - HG    LEU  115  15.63 +/- 1.91   0.382% *  0.7385% (0.69   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   LEU  115 - HG    LEU   40  17.15 +/- 2.56   0.303% *  0.3133% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HG    LEU   40  12.02 +/- 4.03   5.237% *  0.0165% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HG    LEU   40  10.62 +/- 2.63   2.691% *  0.0140% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HG    LEU  115  11.78 +/- 2.45   1.344% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HG    LEU  115  17.57 +/- 3.84   0.410% *  0.0485% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU   40  12.18 +/- 3.47   1.608% *  0.0118% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU  115  17.46 +/- 3.31   0.371% *  0.0413% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   40  19.13 +/- 3.20   0.348% *  0.0313% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU  115  20.61 +/- 2.56   0.182% *  0.0346% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU   40  21.25 +/- 5.47   0.415% *  0.0087% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   40  16.95 +/- 2.90   0.332% *  0.0097% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1469 (1.48, 1.48, 26.92 ppm):
    2 diagonal assignments:
    *     HG    LEU  115 - HG    LEU  115  (0.75)  kept
          HG    LEU   40 - HG    LEU   40  (0.09)  kept
 
    Peak 1470 (0.43, 1.48, 26.92 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.86, residual support = 222.9:
    * O T QD1   LEU  115 - HG    LEU  115   2.11 +/- 0.02  97.284% * 99.5358% (0.87  10.0 10.00   5.86 222.88) =  99.997%  kept
        T QD1   LEU  115 - HG    LEU   40  13.62 +/- 2.81   0.526% *  0.3381% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   75 - HG    LEU  115  12.06 +/- 2.31   0.760% *  0.0942% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   75 - HG    LEU   40  10.83 +/- 1.98   1.430% *  0.0320% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1471 (0.59, 1.48, 26.92 ppm):
    14 chemical-shift based assignments, quality = 0.837, support = 6.97, residual support = 222.7:
    * O T QD2   LEU  115 - HG    LEU  115   2.10 +/- 0.02  71.340% * 98.7643% (0.84  10.0 10.00   6.98 222.88) =  99.938%  kept
          QD1   LEU   63 - HG    LEU  115   7.42 +/- 2.50   8.518% *  0.4094% (0.82   1.0  1.00   0.08   0.02) =   0.049%
        T QD2   LEU  115 - HG    LEU   40  13.63 +/- 2.60   0.516% *  0.3355% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - HG    LEU   40   8.64 +/- 5.79   5.970% *  0.0266% (0.23   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   73 - HG    LEU  115  14.61 +/- 4.00   1.562% *  0.0968% (0.82   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - HG    LEU  115   8.42 +/- 2.16   3.560% *  0.0384% (0.33   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   63 - HG    LEU   40   8.62 +/- 2.53   2.733% *  0.0329% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HG    LEU   40   9.74 +/- 2.37   1.619% *  0.0329% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG    LEU   40   8.49 +/- 2.36   2.708% *  0.0130% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HG    LEU  115  14.23 +/- 3.54   0.330% *  0.0782% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  115  18.07 +/- 3.11   0.160% *  0.0968% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   40  15.82 +/- 4.75   0.399% *  0.0329% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU   40  15.29 +/- 4.43   0.449% *  0.0107% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  115  17.75 +/- 2.24   0.137% *  0.0316% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1472 (4.12, 0.43, 25.13 ppm):
    9 chemical-shift based assignments, quality = 0.802, support = 6.04, residual support = 203.0:
    *   T HA    LEU  115 - QD1   LEU  115   3.39 +/- 0.71  66.135% * 65.8386% (0.84 10.00   6.33 222.88) =  90.442%  kept
        T HA    GLU- 114 - QD1   LEU  115   6.49 +/- 0.54  12.717% * 26.8872% (0.34 10.00   4.35  20.73) =   7.102%  kept
        T HA    ARG+  54 - QD1   LEU  115   7.99 +/- 2.40  16.887% *  6.9908% (0.92 10.00   0.19   0.02) =   2.452%  kept
          HA    ALA  124 - QD1   LEU  115  14.65 +/- 1.20   0.977% *  0.0658% (0.84  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - QD1   LEU  115  18.64 +/- 3.55   0.687% *  0.0684% (0.87  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - QD1   LEU  115  15.72 +/- 2.87   1.330% *  0.0324% (0.41  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - QD1   LEU  115  18.89 +/- 2.92   0.563% *  0.0541% (0.69  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - QD1   LEU  115  19.41 +/- 1.79   0.418% *  0.0384% (0.49  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD1   LEU  115  23.30 +/- 3.14   0.286% *  0.0243% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1473 (1.98, 0.43, 25.13 ppm):
    8 chemical-shift based assignments, quality = 0.994, support = 5.95, residual support = 219.6:
    * O T HB2   LEU  115 - QD1   LEU  115   2.50 +/- 0.43  67.325% * 90.3709% (1.00  10.0 10.00   6.00 222.88) =  98.463%  kept
          QB    GLU- 114 - QD1   LEU  115   5.71 +/- 0.60   7.962% *  6.8424% (0.31   1.0  1.00   4.91  20.73) =   0.882%  kept
          HG3   PRO   58 - QD1   LEU  115   7.44 +/- 2.04  15.648% *  2.5672% (1.00   1.0  1.00   0.57   0.02) =   0.650%  kept
          HB3   ARG+  54 - QD1   LEU  115   9.24 +/- 2.46   5.944% *  0.0251% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   67 - QD1   LEU  115  12.94 +/- 1.74   0.879% *  0.0724% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD1   LEU  115  14.56 +/- 2.83   1.240% *  0.0405% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - QD1   LEU  115  14.44 +/- 3.45   0.680% *  0.0475% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - QD1   LEU  115  16.95 +/- 2.49   0.322% *  0.0339% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1474 (1.48, 0.43, 25.13 ppm):
    10 chemical-shift based assignments, quality = 0.763, support = 5.94, residual support = 222.9:
    * O T HG    LEU  115 - QD1   LEU  115   2.11 +/- 0.02  57.993% * 72.7830% (0.87  10.0 10.00   5.86 222.88) =  81.248%  kept
      O T HB3   LEU  115 - QD1   LEU  115   2.52 +/- 0.35  37.600% * 25.8976% (0.31  10.0 10.00   6.31 222.88) =  18.743%  kept
        T HB3   LEU   40 - QD1   LEU  115  14.83 +/- 2.89   0.226% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA  120 - QD1   LEU  115   7.79 +/- 1.00   1.484% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.002%
        T HG    LEU   40 - QD1   LEU  115  13.62 +/- 2.81   0.303% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+  74 - QD1   LEU  115  12.70 +/- 2.85   0.570% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QD1   LEU  115   9.43 +/- 1.33   0.817% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD1   LEU  115  12.71 +/- 2.07   0.379% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  115  11.99 +/- 1.90   0.471% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  115  16.39 +/- 2.41   0.156% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1475 (0.43, 0.43, 25.13 ppm):
    1 diagonal assignment:
    *     QD1   LEU  115 - QD1   LEU  115  (1.00)  kept
 
    Peak 1476 (0.59, 0.43, 25.13 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.13, residual support = 222.6:
    * O T QD2   LEU  115 - QD1   LEU  115   2.04 +/- 0.07  66.061% * 99.2451% (0.97  10.0 10.00   7.14 222.88) =  99.876%  kept
          QD1   LEU   63 - QD1   LEU  115   6.12 +/- 2.04  17.416% *  0.4114% (0.95   1.0  1.00   0.08   0.02) =   0.109%  kept
          QD1   LEU   73 - QD1   LEU  115  11.89 +/- 3.53   5.211% *  0.0973% (0.95   1.0  1.00   0.02   0.02) =   0.008%
          QD2   LEU   63 - QD1   LEU  115   7.05 +/- 2.00  10.249% *  0.0386% (0.38   1.0  1.00   0.02   0.02) =   0.006%
          QD1   LEU  104 - QD1   LEU  115  11.77 +/- 2.92   0.551% *  0.0786% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - QD1   LEU  115  14.61 +/- 2.56   0.288% *  0.0973% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   LEU  115  14.42 +/- 1.99   0.224% *  0.0317% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1477 (4.12, 0.59, 23.43 ppm):
    9 chemical-shift based assignments, quality = 0.779, support = 7.21, residual support = 208.1:
    *   T HA    LEU  115 - QD2   LEU  115   3.04 +/- 0.59  76.805% * 64.8602% (0.81 10.00   7.49 222.88) =  92.836%  kept
        T HA    GLU- 114 - QD2   LEU  115   6.13 +/- 0.57  12.050% * 26.4877% (0.33 10.00   4.35  20.73) =   5.948%  kept
        T HA    ARG+  54 - QD2   LEU  115   8.46 +/- 2.12   7.771% *  8.3729% (0.89 10.00   0.23   0.02) =   1.213%  kept
          HA    ALA  124 - QD2   LEU  115  13.12 +/- 1.26   1.166% *  0.0649% (0.81  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - QD2   LEU  115  18.74 +/- 3.33   0.434% *  0.0674% (0.84  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - QD2   LEU  115  16.44 +/- 2.63   0.805% *  0.0319% (0.40  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QD2   LEU  115  18.97 +/- 2.72   0.400% *  0.0533% (0.66  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD2   LEU  115  19.53 +/- 1.62   0.354% *  0.0378% (0.47  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD2   LEU  115  23.33 +/- 3.01   0.215% *  0.0240% (0.30  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1478 (1.98, 0.59, 23.43 ppm):
    8 chemical-shift based assignments, quality = 0.957, support = 7.12, residual support = 219.5:
    * O T HB2   LEU  115 - QD2   LEU  115   2.80 +/- 0.43  69.917% * 90.4658% (0.97  10.0 10.00   7.18 222.88) =  98.379%  kept
          QB    GLU- 114 - QD2   LEU  115   5.86 +/- 0.61  10.695% *  6.8324% (0.30   1.0  1.00   4.89  20.73) =   1.137%  kept
          HG3   PRO   58 - QD2   LEU  115   7.24 +/- 1.95  12.448% *  2.4822% (0.96   1.0  1.00   0.55   0.02) =   0.481%  kept
          HB3   ARG+  54 - QD2   LEU  115   9.74 +/- 2.20   3.842% *  0.0252% (0.27   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   67 - QD2   LEU  115  12.96 +/- 1.46   0.953% *  0.0724% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - QD2   LEU  115  14.59 +/- 3.18   0.940% *  0.0476% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD2   LEU  115  14.43 +/- 2.47   0.701% *  0.0406% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD2   LEU  115  17.00 +/- 2.28   0.503% *  0.0340% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1479 (1.48, 0.59, 23.43 ppm):
    10 chemical-shift based assignments, quality = 0.742, support = 7.05, residual support = 222.5:
    * O T HG    LEU  115 - QD2   LEU  115   2.10 +/- 0.02  58.737% * 70.4103% (0.84  10.0 10.00   6.98 222.88) =  82.155%  kept
      O T HB3   LEU  115 - QD2   LEU  115   2.64 +/- 0.47  35.504% * 25.0533% (0.30  10.0 10.00   7.46 222.88) =  17.670%  kept
          QB    ALA  120 - QD2   LEU  115   6.52 +/- 0.91   2.513% *  3.3304% (0.84   1.0  1.00   0.95   0.02) =   0.166%  kept
        T HB3   LEU   40 - QD2   LEU  115  14.78 +/- 2.94   0.318% *  0.8045% (0.96   1.0 10.00   0.02   0.02) =   0.005%
        T HG    LEU   40 - QD2   LEU  115  13.63 +/- 2.60   0.447% *  0.2505% (0.30   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+  74 - QD2   LEU  115  12.84 +/- 3.11   0.461% *  0.0492% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  115   8.33 +/- 1.06   1.140% *  0.0181% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD2   LEU  115  12.69 +/- 1.86   0.338% *  0.0334% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  115  11.91 +/- 1.58   0.383% *  0.0226% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  115  16.42 +/- 2.69   0.157% *  0.0277% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1480 (0.43, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 7.14, residual support = 222.9:
    * O T QD1   LEU  115 - QD2   LEU  115   2.04 +/- 0.07  98.691% * 99.9055% (0.97  10.0 10.00   7.14 222.88) =  99.999%  kept
          QG1   VAL   75 - QD2   LEU  115  10.09 +/- 1.97   1.309% *  0.0945% (0.91   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1481 (0.59, 0.59, 23.43 ppm):
    1 diagonal assignment:
    *     QD2   LEU  115 - QD2   LEU  115  (0.93)  kept
 
    Peak 1482 (4.01, 4.01, 60.31 ppm):
    1 diagonal assignment:
    *     HA    GLN  116 - HA    GLN  116  (1.00)  kept
 
    Peak 1483 (2.37, 4.01, 60.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.19, residual support = 111.5:
    * O T HB2   GLN  116 - HA    GLN  116   2.85 +/- 0.15  92.385% * 98.6426% (1.00  10.0 10.00   5.19 111.53) =  99.993%  kept
          HB2   PRO   58 - HA    GLN  116   9.31 +/- 1.92   5.905% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.004%
        T HB2   GLU- 100 - HA    GLN  116  24.67 +/- 3.56   0.166% *  0.9669% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   97 - HA    GLN  116  14.60 +/- 3.99   1.016% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T QG    GLN   32 - HA    GLN  116  25.57 +/- 3.24   0.158% *  0.1952% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN  116  20.41 +/- 3.56   0.370% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1484 (2.54, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.81, residual support = 111.5:
    * O T HG2   GLN  116 - HA    GLN  116   2.56 +/- 0.56  96.892% * 99.8732% (1.00  10.0 10.00   4.81 111.53) =  99.997%  kept
          HB3   PHE   95 - HA    GLN  116  10.41 +/- 3.49   2.964% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HG2   GLU-  25 - HA    GLN  116  28.20 +/- 4.97   0.143% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1485 (4.01, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.19, residual support = 111.5:
    * O T HA    GLN  116 - HB2   GLN  116   2.85 +/- 0.15  97.880% * 98.1197% (1.00  10.0 10.00   5.19 111.53) =  99.997%  kept
        T HA    LYS+  33 - HB2   GLN  116  29.53 +/- 3.18   0.099% *  0.8511% (0.87   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HB2   GLN  116  29.14 +/- 3.84   0.115% *  0.7125% (0.73   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB2   GLN  116  19.60 +/- 3.12   0.444% *  0.0981% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   GLN  116  21.74 +/- 4.34   0.475% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLN  116  19.55 +/- 3.30   0.505% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLN  116  27.70 +/- 3.71   0.134% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   GLN  116  26.63 +/- 3.39   0.142% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   GLN  116  25.45 +/- 4.93   0.206% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1486 (2.37, 2.37, 29.51 ppm):
    1 diagonal assignment:
    *     HB2   GLN  116 - HB2   GLN  116  (1.00)  kept
 
    Peak 1487 (2.54, 2.37, 29.51 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.34, residual support = 111.5:
    * O T HG2   GLN  116 - HB2   GLN  116   2.73 +/- 0.23  97.230% * 99.8732% (1.00  10.0 10.00   5.34 111.53) =  99.997%  kept
          HB3   PHE   95 - HB2   GLN  116  11.53 +/- 3.26   2.649% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HG2   GLU-  25 - HB2   GLN  116  29.79 +/- 5.11   0.122% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1488 (4.01, 2.54, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.81, residual support = 111.5:
    * O T HA    GLN  116 - HG2   GLN  116   2.56 +/- 0.56  97.692% * 99.5202% (1.00  10.0 10.00   4.81 111.53) =  99.999%  kept
          HA    VAL   70 - HG2   GLN  116  18.65 +/- 3.03   0.491% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HG2   GLN  116  20.85 +/- 4.72   0.626% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLN  116  19.44 +/- 3.92   0.452% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   GLN  116  28.85 +/- 3.14   0.117% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   GLN  116  28.66 +/- 3.86   0.137% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   GLN  116  25.85 +/- 3.23   0.163% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLN  116  27.64 +/- 3.71   0.121% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   GLN  116  24.48 +/- 5.11   0.200% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1489 (2.37, 2.54, 34.75 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.34, residual support = 111.5:
    * O T HB2   GLN  116 - HG2   GLN  116   2.73 +/- 0.23  93.133% * 99.6852% (1.00  10.0 10.00   5.34 111.53) =  99.996%  kept
          HB2   PRO   58 - HG2   GLN  116   9.93 +/- 2.61   5.606% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PHE   97 - HG2   GLN  116  15.95 +/- 3.60   0.679% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HG2   GLN  116  26.01 +/- 3.51   0.141% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLN  116  21.12 +/- 3.99   0.296% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLN  116  26.75 +/- 3.38   0.146% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1490 (2.54, 2.54, 34.75 ppm):
    1 diagonal assignment:
    *     HG2   GLN  116 - HG2   GLN  116  (1.00)  kept
 
    Peak 1491 (4.24, 4.24, 61.69 ppm):
    1 diagonal assignment:
    *     HA    SER  117 - HA    SER  117  (1.00)  kept
 
    Peak 1492 (3.93, 4.24, 61.69 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 1.26, residual support = 15.3:
    * O T QB    SER  117 - HA    SER  117   2.37 +/- 0.12  87.191% * 93.0897% (1.00  10.0 10.00   1.26  15.35) =  99.641%  kept
          HA    ALA  120 - HA    SER  117   5.74 +/- 0.34   6.507% *  2.8703% (0.41   1.0  1.00   1.50   5.26) =   0.229%  kept
          HA    LYS+ 121 - HA    SER  117   7.28 +/- 1.11   4.375% *  2.3173% (0.84   1.0  1.00   0.60   0.02) =   0.124%  kept
        T QB    SER   48 - HA    SER  117  20.94 +/- 3.67   0.258% *  0.6022% (0.65   1.0 10.00   0.02   0.02) =   0.002%
        T HA2   GLY   51 - HA    SER  117  19.77 +/- 2.76   0.181% *  0.8349% (0.90   1.0 10.00   0.02   0.02) =   0.002%
          HA    PHE   60 - HA    SER  117  12.34 +/- 2.38   0.936% *  0.0565% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA    SER  117  16.24 +/- 1.81   0.329% *  0.0711% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER  117  24.33 +/- 2.83   0.095% *  0.1436% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER  117  25.67 +/- 5.86   0.129% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1493 (4.24, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 1.26, residual support = 15.3:
    * O T HA    SER  117 - QB    SER  117   2.37 +/- 0.12  89.367% * 99.1287% (1.00  10.0 10.00   1.26  15.35) =  99.994%  kept
          HA    ASP-  62 - QB    SER  117  13.77 +/- 2.49   3.483% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T HA1   GLY   51 - QB    SER   48   8.82 +/- 1.20   2.512% *  0.0398% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T HA    SER  117 - QB    SER   48  20.94 +/- 3.67   0.264% *  0.2578% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T HA1   GLY   51 - QB    SER  117  17.32 +/- 2.68   0.301% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   57 - QB    SER  117  12.22 +/- 1.99   0.974% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   48  16.47 +/- 4.34   1.097% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER  117  24.02 +/- 4.64   0.196% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   85  24.33 +/- 2.83   0.098% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   48  18.89 +/- 4.19   0.313% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  14.04 +/- 2.13   0.571% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  19.73 +/- 3.05   0.221% *  0.0236% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   85  18.33 +/- 3.64   0.259% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   85  21.86 +/- 3.13   0.146% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  20.00 +/- 3.35   0.198% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1494 (3.93, 3.93, 63.04 ppm):
    3 diagonal assignments:
    *     QB    SER  117 - QB    SER  117  (1.00)  kept
          QB    SER   48 - QB    SER   48  (0.17)  kept
          QB    SER   85 - QB    SER   85  (0.02)  kept
 
    Peak 1497 (3.69, 3.69, 66.88 ppm):
    1 diagonal assignment:
    *     HA    ILE  119 - HA    ILE  119  (1.00)  kept
 
    Peak 1498 (2.03, 3.69, 66.88 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.73, residual support = 269.5:
    * O T HB    ILE  119 - HA    ILE  119   3.00 +/- 0.03  92.013% * 99.2403% (0.87  10.0 10.00   6.73 269.49) =  99.994%  kept
          HB3   PRO   68 - HA    ILE  119  16.52 +/- 4.68   1.162% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HA    ILE  119  15.24 +/- 3.01   1.292% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HA    ILE  119  13.69 +/- 1.63   1.120% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    ILE  119  15.96 +/- 3.44   0.829% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HA    ILE  119  13.87 +/- 3.17   1.436% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    ILE  119  21.20 +/- 3.35   0.336% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ILE  119  20.66 +/- 3.07   0.343% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ILE  119  23.19 +/- 5.23   0.302% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ILE  119  19.43 +/- 4.28   0.593% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ILE  119  21.22 +/- 3.66   0.351% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ILE  119  26.08 +/- 4.46   0.224% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1499 (0.96, 3.69, 66.88 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.94, residual support = 269.5:
    * O T QG2   ILE  119 - HA    ILE  119   2.47 +/- 0.16  90.773% * 99.7168% (1.00  10.0 10.00   6.94 269.49) =  99.997%  kept
          QD2   LEU   40 - HA    ILE  119  12.54 +/- 4.28   4.125% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HA    ILE  119  14.66 +/- 2.24   0.593% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HA    ILE  119  16.10 +/- 3.71   0.528% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HA    ILE  119  11.43 +/- 3.26   2.325% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    ILE  119  13.79 +/- 4.26   1.031% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  119  15.47 +/- 3.82   0.626% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1500 (2.26, 3.69, 66.88 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 7.22, residual support = 269.5:
    * O T HG12  ILE  119 - HA    ILE  119   2.89 +/- 0.36  89.611% * 99.4466% (1.00  10.0 10.00   7.22 269.49) =  99.994%  kept
          HB2   ASP- 105 - HA    ILE  119  12.22 +/- 6.70   4.693% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   72 - HA    ILE  119  14.55 +/- 3.68   1.579% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HA    ILE  119  12.77 +/- 2.52   1.539% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HA    ILE  119  18.56 +/- 3.23   0.787% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - HA    ILE  119  20.22 +/- 2.69   0.354% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    ILE  119  22.38 +/- 3.75   0.309% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    ILE  119  21.08 +/- 3.33   0.287% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ILE  119  25.21 +/- 3.55   0.165% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ILE  119  18.62 +/- 3.37   0.557% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    ILE  119  28.51 +/- 4.09   0.120% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1501 (1.12, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.993, support = 7.0, residual support = 267.0:
    * O T HG13  ILE  119 - HA    ILE  119   2.73 +/- 0.48  69.849% * 94.6671% (1.00  10.0 10.00   7.04 269.49) =  99.062%  kept
          HG2   LYS+ 121 - HA    ILE  119   6.77 +/- 0.77  12.284% *  5.0554% (0.31   1.0  1.00   3.46   8.33) =   0.930%  kept
          QB    ALA   20 - HA    ILE  119  15.27 +/- 3.85   2.934% *  0.0650% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL  107 - HA    ILE  119   8.52 +/- 4.38   6.639% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HA    ILE  119   9.35 +/- 4.25   5.346% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HA    ILE  119  11.78 +/- 1.61   1.538% *  0.0498% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HA    ILE  119  19.20 +/- 4.47   1.192% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HA    ILE  119  21.36 +/- 3.98   0.218% *  0.0945% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1502 (1.02, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 6.14, residual support = 269.4:
    *   T QD1   ILE  119 - HA    ILE  119   3.54 +/- 0.47  91.000% * 99.2846% (0.97 10.00   6.14 269.49) =  99.984%  kept
        T HB    VAL   75 - HA    ILE  119  15.27 +/- 2.56   1.650% *  0.5824% (0.57 10.00   0.02   0.02) =   0.011%
          HB2   LEU  104 - HA    ILE  119  14.77 +/- 6.67   4.479% *  0.0747% (0.73  1.00   0.02   0.02) =   0.004%
          QG2   VAL  108 - HA    ILE  119  13.34 +/- 3.04   2.870% *  0.0582% (0.57  1.00   0.02   0.02) =   0.002%
    Distance limit 3.34 A violated in 0 structures by 0.32 A, kept.
 
    Peak 1503 (3.69, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.864, support = 6.68, residual support = 243.7:
    * O T HA    ILE  119 - HB    ILE  119   3.00 +/- 0.03  85.020% * 50.8167% (0.87  10.0 10.00   6.73 269.49) =  87.546%  kept
        T HA    THR  118 - HB    ILE  119   5.69 +/- 0.14  12.530% * 49.0416% (0.84   1.0 10.00   6.29  62.44) =  12.452%  kept
          HA2   GLY  109 - HB    ILE  119  14.75 +/- 2.57   0.963% *  0.0369% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB    ILE  119  20.20 +/- 4.11   0.591% *  0.0504% (0.86   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HB    ILE  119  21.67 +/- 2.56   0.264% *  0.0456% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    ILE  119  17.87 +/- 3.03   0.631% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1504 (2.03, 2.03, 38.31 ppm):
    1 diagonal assignment:
    *     HB    ILE  119 - HB    ILE  119  (0.75)  kept
 
    Peak 1505 (0.96, 2.03, 38.31 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 6.42, residual support = 269.5:
    * O T QG2   ILE  119 - HB    ILE  119   2.10 +/- 0.02  96.998% * 99.7168% (0.87  10.0 10.00   6.42 269.49) =  99.999%  kept
          QD2   LEU   71 - HB    ILE  119  15.96 +/- 2.43   0.305% *  0.0865% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB    ILE  119  17.09 +/- 2.69   0.223% *  0.0943% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  119  16.66 +/- 4.13   0.516% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  119  13.98 +/- 3.45   0.852% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  119  12.66 +/- 2.79   0.703% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB    ILE  119  14.69 +/- 3.27   0.403% *  0.0277% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1506 (2.26, 2.03, 38.31 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 6.34, residual support = 269.5:
    * O T HG12  ILE  119 - HB    ILE  119   2.53 +/- 0.21  91.979% * 99.4466% (0.87  10.0 10.00   6.34 269.49) =  99.995%  kept
          HB3   PHE   72 - HB    ILE  119  16.08 +/- 3.68   2.858% *  0.0760% (0.66   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HB    ILE  119  13.66 +/- 2.61   1.409% *  0.0643% (0.56   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HB    ILE  119  13.14 +/- 5.69   1.636% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HB    ILE  119  17.98 +/- 3.75   0.664% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB    ILE  119  23.94 +/- 4.25   0.427% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB    ILE  119  20.26 +/- 2.76   0.233% *  0.0831% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB    ILE  119  22.75 +/- 3.54   0.215% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB    ILE  119  26.94 +/- 3.44   0.106% *  0.0796% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB    ILE  119  19.48 +/- 3.83   0.371% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB    ILE  119  30.04 +/- 4.38   0.102% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1507 (1.12, 2.03, 38.31 ppm):
    8 chemical-shift based assignments, quality = 0.864, support = 6.1, residual support = 268.1:
    * O T HG13  ILE  119 - HB    ILE  119   2.84 +/- 0.30  77.299% * 95.5961% (0.87  10.0 10.00   6.13 269.49) =  99.484%  kept
        T QG1   VAL  107 - HB    ILE  119   8.35 +/- 3.87   9.356% *  3.9763% (0.13   1.0 10.00   0.54   0.02) =   0.501%  kept
        T QG2   VAL  107 - HB    ILE  119   9.18 +/- 3.76   5.213% *  0.1475% (0.13   1.0 10.00   0.02   0.02) =   0.010%
          HD3   LYS+ 112 - HB    ILE  119   9.86 +/- 1.67   2.587% *  0.0503% (0.46   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   20 - HB    ILE  119  16.53 +/- 4.08   1.878% *  0.0657% (0.60   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HB    ILE  119   8.70 +/- 0.64   2.971% *  0.0295% (0.27   1.0  1.00   0.02   8.33) =   0.001%
          HB3   LEU   31 - HB    ILE  119  23.03 +/- 3.60   0.238% *  0.0954% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    ILE  119  20.17 +/- 4.40   0.459% *  0.0393% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1508 (1.02, 2.03, 38.31 ppm):
    4 chemical-shift based assignments, quality = 0.837, support = 5.56, residual support = 269.5:
    * O T QD1   ILE  119 - HB    ILE  119   2.51 +/- 0.28  97.746% * 99.2846% (0.84  10.0 10.00   5.56 269.49) =  99.993%  kept
        T QG2   VAL  108 - HB    ILE  119  13.19 +/- 2.45   0.944% *  0.5824% (0.49   1.0 10.00   0.02   0.02) =   0.006%
          HB2   LEU  104 - HB    ILE  119  16.24 +/- 5.52   0.724% *  0.0747% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HB    ILE  119  16.35 +/- 2.84   0.586% *  0.0582% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1509 (3.69, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.92, residual support = 265.2:
    * O T HA    ILE  119 - QG2   ILE  119   2.47 +/- 0.16  91.278% * 77.0165% (1.00  10.0 10.00   6.94 269.49) =  97.945%  kept
          HA    THR  118 - QG2   ILE  119   6.04 +/- 0.07   6.471% * 22.7686% (0.97   1.0  1.00   6.13  62.44) =   2.053%  kept
          HB2   TRP   49 - QG2   ILE  119  17.18 +/- 3.75   0.810% *  0.0763% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  109 - QG2   ILE  119  13.93 +/- 2.05   0.662% *  0.0559% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - QG2   ILE  119  18.74 +/- 2.21   0.246% *  0.0691% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   ILE  119  14.85 +/- 2.41   0.533% *  0.0135% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1510 (2.03, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.42, residual support = 269.5:
    * O T HB    ILE  119 - QG2   ILE  119   2.10 +/- 0.02  94.818% * 99.2403% (0.87  10.0 10.00   6.42 269.49) =  99.997%  kept
          HB3   PRO   68 - QG2   ILE  119  13.64 +/- 3.79   0.820% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - QG2   ILE  119  12.11 +/- 2.59   0.964% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - QG2   ILE  119  12.19 +/- 3.01   1.099% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE  119  11.82 +/- 1.08   0.584% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   ILE  119  16.81 +/- 3.92   0.574% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG2   ILE  119  14.68 +/- 2.19   0.334% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   ILE  119  18.73 +/- 2.80   0.166% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   ILE  119  18.34 +/- 2.56   0.172% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   ILE  119  20.88 +/- 3.84   0.132% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE  119  18.37 +/- 3.28   0.211% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE  119  22.66 +/- 3.86   0.128% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1511 (0.96, 0.96, 17.56 ppm):
    1 diagonal assignment:
    *     QG2   ILE  119 - QG2   ILE  119  (1.00)  kept
 
    Peak 1512 (2.26, 0.96, 17.56 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.6, residual support = 269.5:
    * O T HG12  ILE  119 - QG2   ILE  119   3.13 +/- 0.21  85.622% * 99.4466% (1.00  10.0 10.00   6.60 269.49) =  99.991%  kept
          HB3   PHE   72 - QG2   ILE  119  13.13 +/- 2.99   2.374% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ASP-  44 - QG2   ILE  119  11.61 +/- 2.37   2.474% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HG3   MET   92 - QG2   ILE  119  15.99 +/- 3.38   2.133% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ASP- 105 - QG2   ILE  119  11.97 +/- 4.83   3.936% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - QG2   ILE  119  17.76 +/- 2.39   0.682% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - QG2   ILE  119  19.20 +/- 3.55   0.585% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   ILE  119  18.25 +/- 3.01   0.591% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   ILE  119  22.10 +/- 2.94   0.304% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   ILE  119  16.16 +/- 3.13   1.014% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE  119  24.24 +/- 3.66   0.286% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1513 (1.12, 0.96, 17.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.4, residual support = 269.5:
    * O T HG13  ILE  119 - QG2   ILE  119   2.62 +/- 0.25  79.839% * 99.6771% (1.00  10.0 10.00   6.40 269.49) =  99.991%  kept
          QB    ALA   20 - QG2   ILE  119  13.30 +/- 3.20   3.899% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HD3   LYS+ 112 - QG2   ILE  119   9.30 +/- 1.62   3.153% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - QG2   ILE  119   7.39 +/- 0.61   4.188% *  0.0308% (0.31   1.0  1.00   0.02   8.33) =   0.002%
          QG1   VAL  107 - QG2   ILE  119   8.27 +/- 3.16   4.370% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - QG2   ILE  119   8.84 +/- 3.08   3.104% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - QG2   ILE  119  16.73 +/- 3.88   1.157% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - QG2   ILE  119  19.10 +/- 3.17   0.290% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1514 (1.02, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.85, residual support = 269.5:
    *   T QD1   ILE  119 - QG2   ILE  119   1.88 +/- 0.13  98.638% * 99.8078% (0.97 10.00   5.85 269.49) =  99.999%  kept
          HB2   LEU  104 - QG2   ILE  119  14.02 +/- 4.89   0.536% *  0.0751% (0.73  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   ILE  119  12.24 +/- 1.95   0.481% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QG2   ILE  119  13.61 +/- 2.29   0.345% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1515 (3.69, 2.26, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.995, support = 7.11, residual support = 241.2:
    * O T HA    ILE  119 - HG12  ILE  119   2.89 +/- 0.36  83.636% * 50.8167% (1.00  10.0 10.00   7.22 269.49) =  86.347%  kept
        T HA    THR  118 - HG12  ILE  119   5.50 +/- 0.21  13.701% * 49.0416% (0.97   1.0 10.00   6.42  62.44) =  13.651%  kept
          HA2   GLY  109 - HG12  ILE  119  13.56 +/- 2.60   1.064% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HG12  ILE  119  18.89 +/- 3.33   0.594% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HG12  ILE  119  19.79 +/- 2.29   0.308% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG12  ILE  119  16.03 +/- 2.64   0.698% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1516 (2.03, 2.26, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.34, residual support = 269.5:
    * O T HB    ILE  119 - HG12  ILE  119   2.53 +/- 0.21  93.058% * 98.6651% (0.87  10.0 10.00   6.34 269.49) =  99.989%  kept
        T HB2   ARG+  54 - HG12  ILE  119  13.31 +/- 2.38   1.071% *  0.6440% (0.57   1.0 10.00   0.02   0.02) =   0.008%
          HB2   PRO   93 - HG12  ILE  119  11.64 +/- 3.30   2.159% *  0.0316% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HG12  ILE  119  11.42 +/- 1.59   1.203% *  0.0554% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HG12  ILE  119  14.36 +/- 2.82   0.674% *  0.0736% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HG12  ILE  119  16.97 +/- 3.50   0.515% *  0.0911% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG12  ILE  119  21.46 +/- 2.95   0.193% *  0.1137% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG12  ILE  119  19.99 +/- 4.10   0.449% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG12  ILE  119  20.91 +/- 2.60   0.208% *  0.0987% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG12  ILE  119  23.82 +/- 3.86   0.140% *  0.1050% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE  119  21.96 +/- 3.29   0.199% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE  119  25.97 +/- 3.91   0.131% *  0.0284% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1517 (0.96, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.6, residual support = 269.5:
    * O T QG2   ILE  119 - HG12  ILE  119   3.13 +/- 0.21  88.783% * 99.7168% (1.00  10.0 10.00   6.60 269.49) =  99.996%  kept
          QD2   LEU   71 - HG12  ILE  119  14.95 +/- 2.14   1.087% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HG12  ILE  119  15.88 +/- 2.70   0.938% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HG12  ILE  119  12.93 +/- 3.28   3.406% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HG12  ILE  119  11.55 +/- 2.49   2.824% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HG12  ILE  119  13.61 +/- 3.19   1.723% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG12  ILE  119  14.99 +/- 3.73   1.238% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.05 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1518 (2.26, 2.26, 30.83 ppm):
    1 diagonal assignment:
    *     HG12  ILE  119 - HG12  ILE  119  (1.00)  kept
 
    Peak 1519 (1.12, 2.26, 30.83 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.92, residual support = 269.5:
    * O T HG13  ILE  119 - HG12  ILE  119   1.75 +/- 0.00  90.222% * 99.6771% (1.00  10.0 10.00   6.92 269.49) =  99.997%  kept
          QG1   VAL  107 - HG12  ILE  119   7.14 +/- 3.89   4.803% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HG12  ILE  119   9.27 +/- 1.82   0.969% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HG12  ILE  119   7.82 +/- 3.83   2.580% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG12  ILE  119  15.32 +/- 3.54   0.370% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HG12  ILE  119   9.12 +/- 0.79   0.786% *  0.0308% (0.31   1.0  1.00   0.02   8.33) =   0.000%
          HB3   LEU   31 - HG12  ILE  119  21.53 +/- 3.56   0.083% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HG12  ILE  119  18.83 +/- 4.07   0.187% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1520 (1.02, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.91, residual support = 269.5:
    * O T QD1   ILE  119 - HG12  ILE  119   2.14 +/- 0.01  98.235% * 99.8078% (0.97  10.0 10.00   5.91 269.49) =  99.999%  kept
          QG2   VAL  108 - HG12  ILE  119  12.04 +/- 2.48   0.772% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG12  ILE  119  15.17 +/- 5.26   0.574% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  119  14.49 +/- 2.45   0.419% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1521 (3.69, 1.12, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.996, support = 6.95, residual support = 247.1:
    * O T HA    ILE  119 - HG13  ILE  119   2.73 +/- 0.48  86.428% * 50.8167% (1.00  10.0 10.00   7.04 269.49) =  89.205%  kept
        T HA    THR  118 - HG13  ILE  119   6.14 +/- 0.59  10.836% * 49.0416% (0.97   1.0 10.00   6.24  62.44) =  10.793%  kept
          HA2   GLY  109 - HG13  ILE  119  14.59 +/- 2.40   1.021% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HG13  ILE  119  19.25 +/- 3.39   0.553% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HG13  ILE  119  20.10 +/- 2.23   0.317% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG13  ILE  119  15.86 +/- 2.79   0.845% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1522 (2.03, 1.12, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.13, residual support = 269.5:
    * O T HB    ILE  119 - HG13  ILE  119   2.84 +/- 0.30  91.300% * 99.2403% (0.87  10.0 10.00   6.13 269.49) =  99.994%  kept
          HB3   PRO   68 - HG13  ILE  119  16.30 +/- 3.67   1.066% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HG13  ILE  119  13.52 +/- 2.59   1.446% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HG13  ILE  119  12.34 +/- 3.22   2.248% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HG13  ILE  119  12.44 +/- 1.64   1.258% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HG13  ILE  119  15.28 +/- 2.57   0.809% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG13  ILE  119  21.05 +/- 3.35   0.314% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG13  ILE  119  20.52 +/- 3.05   0.324% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG13  ILE  119  23.77 +/- 4.09   0.242% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG13  ILE  119  19.44 +/- 4.11   0.475% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG13  ILE  119  21.45 +/- 3.47   0.320% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE  119  25.70 +/- 4.06   0.197% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1523 (0.96, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.4, residual support = 269.5:
    * O T QG2   ILE  119 - HG13  ILE  119   2.62 +/- 0.25  92.025% * 99.7168% (1.00  10.0 10.00   6.40 269.49) =  99.997%  kept
          QD2   LEU   71 - HG13  ILE  119  14.42 +/- 2.19   0.818% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG13  ILE  119  14.70 +/- 3.62   1.372% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HG13  ILE  119  16.16 +/- 2.75   0.469% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG13  ILE  119  11.07 +/- 2.57   2.235% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG13  ILE  119  12.67 +/- 3.59   2.274% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG13  ILE  119  13.93 +/- 3.15   0.807% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1524 (2.26, 1.12, 30.83 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.92, residual support = 269.5:
    * O T HG12  ILE  119 - HG13  ILE  119   1.75 +/- 0.00  97.483% * 99.4466% (1.00  10.0 10.00   6.92 269.49) =  99.999%  kept
          HB3   PHE   72 - HG13  ILE  119  14.09 +/- 3.66   0.640% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HG13  ILE  119  11.65 +/- 2.57   0.585% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG13  ILE  119  12.59 +/- 5.26   0.668% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG13  ILE  119  17.15 +/- 3.32   0.170% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG13  ILE  119  19.22 +/- 2.48   0.088% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG13  ILE  119  22.52 +/- 3.59   0.072% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG13  ILE  119  21.35 +/- 3.12   0.070% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG13  ILE  119  25.08 +/- 3.45   0.041% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG13  ILE  119  17.60 +/- 3.35   0.152% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HG13  ILE  119  28.79 +/- 4.03   0.031% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1525 (1.12, 1.12, 30.83 ppm):
    1 diagonal assignment:
    *     HG13  ILE  119 - HG13  ILE  119  (1.00)  kept
 
    Peak 1526 (1.02, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.69, residual support = 269.5:
    * O T QD1   ILE  119 - HG13  ILE  119   2.14 +/- 0.02  98.276% * 99.8078% (0.97  10.0 10.00   5.69 269.49) =  99.999%  kept
          HB2   LEU  104 - HG13  ILE  119  15.33 +/- 5.33   0.595% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG13  ILE  119  12.82 +/- 2.24   0.606% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG13  ILE  119  14.31 +/- 2.65   0.523% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1527 (3.69, 1.02, 16.06 ppm):
    6 chemical-shift based assignments, quality = 0.963, support = 6.12, residual support = 259.5:
    *   T HA    ILE  119 - QD1   ILE  119   3.54 +/- 0.47  77.661% * 78.0354% (0.97 10.00   6.14 269.49) =  95.177%  kept
          HA    THR  118 - QD1   ILE  119   6.41 +/- 0.18  14.171% * 21.6239% (0.93  1.00   5.74  62.44) =   4.813%  kept
        T HA    VAL   75 - QD1   ILE  119  13.39 +/- 2.46   2.172% *  0.1367% (0.17 10.00   0.02   0.02) =   0.005%
          HA2   GLY  109 - QD1   ILE  119  12.04 +/- 2.12   3.415% *  0.0567% (0.70  1.00   0.02   0.02) =   0.003%
          HB2   TRP   49 - QD1   ILE  119  15.33 +/- 2.82   1.662% *  0.0773% (0.96  1.00   0.02   0.02) =   0.002%
          HA    ALA   84 - QD1   ILE  119  16.96 +/- 2.23   0.920% *  0.0700% (0.87  1.00   0.02   0.02) =   0.001%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1528 (2.03, 1.02, 16.06 ppm):
    12 chemical-shift based assignments, quality = 0.837, support = 5.56, residual support = 269.4:
    * O T HB    ILE  119 - QD1   ILE  119   2.51 +/- 0.28  85.268% * 98.5836% (0.84  10.0 10.00   5.56 269.49) =  99.984%  kept
        T HB    VAL  108 - QD1   ILE  119  13.07 +/- 2.03   0.769% *  0.7352% (0.62   1.0 10.00   0.02   0.02) =   0.007%
          HB2   ARG+  54 - QD1   ILE  119  10.21 +/- 2.11   4.666% *  0.0643% (0.55   1.0  1.00   0.02   0.02) =   0.004%
          HB2   PRO   93 - QD1   ILE  119   9.89 +/- 3.13   4.719% *  0.0316% (0.27   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   68 - QD1   ILE  119  13.69 +/- 2.70   0.991% *  0.0910% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - QD1   ILE  119  10.07 +/- 1.13   1.571% *  0.0553% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - QD1   ILE  119  18.11 +/- 2.61   0.305% *  0.1137% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD1   ILE  119  17.73 +/- 2.44   0.327% *  0.0986% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD1   ILE  119  16.63 +/- 3.69   0.667% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD1   ILE  119  20.80 +/- 2.85   0.181% *  0.1049% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD1   ILE  119  18.42 +/- 2.94   0.305% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   ILE  119  21.77 +/- 3.37   0.231% *  0.0283% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1529 (0.96, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.85, residual support = 269.5:
    *   T QG2   ILE  119 - QD1   ILE  119   1.88 +/- 0.13  96.227% * 99.7168% (0.97 10.00   5.85 269.49) =  99.999%  kept
          QD2   LEU   71 - QD1   ILE  119  12.43 +/- 1.98   0.496% *  0.0865% (0.84  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD1   ILE  119  14.17 +/- 1.71   0.278% *  0.0943% (0.91  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD1   ILE  119   9.53 +/- 2.20   1.186% *  0.0197% (0.19  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   ILE  119  12.33 +/- 3.27   0.528% *  0.0374% (0.36  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD1   ILE  119  11.33 +/- 2.61   0.820% *  0.0175% (0.17  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   ILE  119  12.37 +/- 2.17   0.465% *  0.0277% (0.27  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1530 (2.26, 1.02, 16.06 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.91, residual support = 269.5:
    * O T HG12  ILE  119 - QD1   ILE  119   2.14 +/- 0.01  93.215% * 99.4466% (0.97  10.0 10.00   5.91 269.49) =  99.996%  kept
          HB3   PHE   72 - QD1   ILE  119  12.27 +/- 2.93   1.778% *  0.0760% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - QD1   ILE  119   9.89 +/- 2.40   1.703% *  0.0643% (0.62   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - QD1   ILE  119  13.87 +/- 3.17   0.772% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - QD1   ILE  119  11.44 +/- 3.97   1.143% *  0.0307% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD1   ILE  119  15.99 +/- 2.43   0.310% *  0.0831% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD1   ILE  119  19.18 +/- 3.20   0.220% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QD1   ILE  119  18.32 +/- 2.70   0.192% *  0.0523% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD1   ILE  119  21.47 +/- 2.74   0.112% *  0.0796% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QD1   ILE  119  14.62 +/- 3.13   0.469% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD1   ILE  119  24.38 +/- 3.23   0.085% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1531 (1.12, 1.02, 16.06 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 5.69, residual support = 269.5:
    * O T HG13  ILE  119 - QD1   ILE  119   2.14 +/- 0.02  81.320% * 99.6771% (0.97  10.0 10.00   5.69 269.49) =  99.993%  kept
          HD3   LYS+ 112 - QD1   ILE  119   7.41 +/- 1.79   4.872% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL  107 - QD1   ILE  119   6.97 +/- 2.96   5.297% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QD1   ILE  119  12.66 +/- 2.95   1.109% *  0.0685% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - QD1   ILE  119   7.33 +/- 2.99   4.561% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QD1   ILE  119   9.00 +/- 1.00   1.962% *  0.0308% (0.30   1.0  1.00   0.02   8.33) =   0.001%
          QG1   VAL   24 - QD1   ILE  119  15.79 +/- 3.57   0.656% *  0.0410% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD1   ILE  119  18.47 +/- 3.18   0.224% *  0.0995% (0.96   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1532 (1.02, 1.02, 16.06 ppm):
    1 diagonal assignment:
    *     QD1   ILE  119 - QD1   ILE  119  (0.93)  kept
 
    Peak 1533 (3.95, 3.95, 55.35 ppm):
    1 diagonal assignment:
    *     HA    ALA  120 - HA    ALA  120  (1.00)  kept
 
    Peak 1534 (1.48, 3.95, 55.35 ppm):
    10 chemical-shift based assignments, quality = 0.941, support = 2.36, residual support = 13.4:
    * O T QB    ALA  120 - HA    ALA  120   2.14 +/- 0.02  92.817% * 85.5096% (0.95  10.0 10.00   2.35  13.50) =  99.432%  kept
        T HD2   LYS+ 121 - HA    ALA  120   6.82 +/- 0.58   3.233% * 13.9474% (0.15   1.0 10.00   4.41   2.95) =   0.565%  kept
          HG    LEU  115 - HA    ALA  120  10.29 +/- 1.32   0.988% *  0.0855% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HA    ALA  120  17.02 +/- 2.41   0.245% *  0.1789% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HA    ALA  120  19.01 +/- 5.40   0.340% *  0.0902% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA  120  10.90 +/- 1.19   0.790% *  0.0372% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ALA  120  19.23 +/- 4.29   0.612% *  0.0440% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ALA  120  16.59 +/- 4.36   0.366% *  0.0476% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA  120  18.06 +/- 5.11   0.388% *  0.0372% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ALA  120  21.82 +/- 4.24   0.221% *  0.0225% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1535 (3.95, 1.48, 18.41 ppm):
    10 chemical-shift based assignments, quality = 0.938, support = 2.39, residual support = 13.2:
    * O T HA    ALA  120 - QB    ALA  120   2.14 +/- 0.02  76.962% * 83.8241% (0.95  10.0 10.00   2.35  13.50) =  97.047%  kept
          HA    LYS+ 121 - QB    ALA  120   3.86 +/- 0.06  13.138% * 13.5166% (0.72   1.0  1.00   4.22   2.95) =   2.671%  kept
          QB    SER  117 - QB    ALA  120   4.59 +/- 0.32   8.328% *  2.2336% (0.39   1.0  1.00   1.30   5.26) =   0.280%  kept
          QB    SER   48 - QB    ALA  120  18.90 +/- 3.57   0.277% *  0.0774% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA  120  15.46 +/- 2.28   0.328% *  0.0641% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    ALA  120  15.49 +/- 1.62   0.239% *  0.0700% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA  120  20.71 +/- 5.28   0.171% *  0.0700% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    ALA  120  18.07 +/- 2.86   0.179% *  0.0576% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    ALA  120  21.87 +/- 2.41   0.086% *  0.0700% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA  120  16.63 +/- 3.13   0.290% *  0.0166% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1536 (1.48, 1.48, 18.41 ppm):
    1 diagonal assignment:
    *     QB    ALA  120 - QB    ALA  120  (0.89)  kept
 
    Peak 1537 (3.94, 3.94, 58.66 ppm):
    2 diagonal assignments:
    *     HA    LYS+ 121 - HA    LYS+ 121  (1.00)  kept
          HA    LYS+  65 - HA    LYS+  65  (0.02)  kept
 
    Peak 1538 (1.66, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.949, support = 8.01, residual support = 300.6:
    * O T HB2   LYS+ 121 - HA    LYS+ 121   2.95 +/- 0.12  47.618% * 81.5317% (1.00  10.0 10.00   8.30 313.10) =  94.020%  kept
        T QD    LYS+  65 - HA    LYS+  65   3.52 +/- 0.54  31.474% *  5.1060% (0.06   1.0 10.00   4.85 159.74) =   3.892%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.56 +/- 0.62   7.850% * 10.8142% (0.31   1.0 10.00   0.86   2.32) =   2.056%  kept
        T QD    LYS+  65 - HA    LYS+ 121  16.74 +/- 2.91   0.744% *  0.8135% (1.00   1.0 10.00   0.02   0.02) =   0.015%
        T QD    LYS+  38 - HA    LYS+ 121  21.20 +/- 6.30   0.557% *  0.7312% (0.90   1.0 10.00   0.02   0.02) =   0.010%
        T QD    LYS+ 102 - HA    LYS+ 121  20.11 +/- 5.99   0.267% *  0.4290% (0.53   1.0 10.00   0.02   0.02) =   0.003%
          HD2   LYS+  74 - HA    LYS+ 121  19.31 +/- 4.52   1.040% *  0.0495% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HA    LYS+ 121  18.42 +/- 1.66   0.205% *  0.2267% (0.28   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HA    LYS+  65  18.01 +/- 3.02   0.424% *  0.0459% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65   8.93 +/- 3.47   6.151% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  14.19 +/- 2.13   0.683% *  0.0252% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HA    LYS+  65  16.70 +/- 2.32   0.334% *  0.0512% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  26.16 +/- 3.23   0.100% *  0.0799% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  19.23 +/- 3.17   0.275% *  0.0278% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  17.60 +/- 2.86   0.279% *  0.0158% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  22.82 +/- 3.15   0.126% *  0.0269% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  11.51 +/- 2.07   1.263% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  23.41 +/- 3.04   0.125% *  0.0142% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  19.47 +/- 3.07   0.199% *  0.0050% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  17.95 +/- 2.89   0.286% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1539 (1.15, 3.94, 58.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.34, residual support = 313.1:
    * O T HG2   LYS+ 121 - HA    LYS+ 121   2.60 +/- 0.48  80.598% * 99.6412% (1.00  10.0 10.00   7.34 313.10) =  99.993%  kept
          QG2   VAL  107 - HA    LYS+ 121  12.14 +/- 4.40   2.215% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   20 - HA    LYS+ 121  18.00 +/- 4.99   2.341% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  119 - HA    LYS+ 121   8.63 +/- 0.28   2.733% *  0.0308% (0.31   1.0  1.00   0.02   8.33) =   0.001%
          QB    ALA   20 - HA    LYS+  65   8.96 +/- 2.52   7.827% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HA    LYS+  65  18.47 +/- 2.97   0.588% *  0.0625% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+ 121  18.98 +/- 5.96   0.677% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+ 121  23.04 +/- 4.75   0.204% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LYS+  65  14.34 +/- 2.23   0.740% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+  65  13.26 +/- 1.70   1.085% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+  65  17.35 +/- 3.18   0.771% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+  65  20.44 +/- 2.96   0.221% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1540 (0.80, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 6.72, residual support = 312.6:
    * O T HG3   LYS+ 121 - HA    LYS+ 121   3.27 +/- 0.44  75.776% * 98.0765% (1.00  10.0 10.00   6.73 313.10) =  99.826%  kept
          QD2   LEU  123 - HA    LYS+ 121   7.11 +/- 0.34   8.651% *  1.4170% (0.49   1.0  1.00   0.59   2.32) =   0.165%  kept
        T QD2   LEU   73 - HA    LYS+ 121  16.28 +/- 3.56   1.063% *  0.3345% (0.34   1.0 10.00   0.02   0.02) =   0.005%
        T QD2   LEU   73 - HA    LYS+  65   9.11 +/- 1.52   6.682% *  0.0210% (0.02   1.0 10.00   0.02   0.02) =   0.002%
          QD1   ILE   56 - HA    LYS+ 121  12.05 +/- 1.17   1.948% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 121 - HA    LYS+  65  18.25 +/- 3.05   0.859% *  0.0616% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HA    LYS+  65  12.09 +/- 1.65   2.382% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 121  22.80 +/- 4.32   0.363% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+  65  13.83 +/- 2.67   1.338% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+  65  16.18 +/- 3.01   0.937% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1541 (1.50, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.649, support = 7.78, residual support = 301.7:
    *   T HD2   LYS+ 121 - HA    LYS+ 121   3.94 +/- 0.50  15.561% * 69.2258% (1.00   1.0 10.00   7.76 313.10) =  51.620%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.53 +/- 0.23  40.606% * 21.3664% (0.31  10.0 10.00   8.21 313.10) =  41.575%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   3.09 +/- 0.75  29.447% *  4.3065% (0.06  10.0 10.00   5.39 159.74) =   6.077%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.06 +/- 0.72   4.193% *  3.4792% (0.05   1.0 10.00   5.56  30.70) =   0.699%  kept
        T QD    LYS+  66 - HA    LYS+ 121  15.52 +/- 4.51   0.514% *  0.5543% (0.80   1.0 10.00   0.02   0.02) =   0.014%
        T HD3   LYS+  74 - HA    LYS+ 121  19.39 +/- 5.08   0.904% *  0.1370% (0.20   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   LYS+  65 - HA    LYS+ 121  18.51 +/- 2.66   0.152% *  0.6861% (0.99   1.0 10.00   0.02   0.02) =   0.005%
          HB2   LYS+  74 - HA    LYS+ 121  19.35 +/- 4.55   0.441% *  0.0529% (0.76   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HA    LYS+  65   9.51 +/- 3.96   2.488% *  0.0086% (0.01   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HA    LYS+ 121  16.39 +/- 8.42   0.638% *  0.0214% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    LYS+ 121  21.16 +/- 4.56   0.153% *  0.0668% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65   9.00 +/- 3.20   3.057% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  16.67 +/- 2.82   0.216% *  0.0434% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  17.76 +/- 6.67   0.363% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  16.46 +/- 1.63   0.180% *  0.0154% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  17.47 +/- 2.99   0.204% *  0.0134% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  13.45 +/- 1.62   0.314% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.48 +/- 1.89   0.303% *  0.0008% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  19.33 +/- 3.64   0.171% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.60 +/- 2.60   0.095% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1542 (2.75, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 0.964, support = 6.56, residual support = 256.1:
    *     QE    LYS+ 121 - HA    LYS+ 121   4.05 +/- 0.68  62.340% * 56.9106% (1.00   6.70 313.10) =  77.914%  kept
          HB3   HIS  122 - HA    LYS+ 121   5.92 +/- 0.31  23.472% * 42.8372% (0.84   6.04  54.95) =  22.082%  kept
          HG2   GLN   30 - HA    LYS+ 121  23.90 +/- 4.81   0.525% *  0.1166% (0.69   0.02   0.02) =   0.001%
          HB3   ASN   28 - HA    LYS+ 121  26.59 +/- 5.24   0.395% *  0.0761% (0.45   0.02   0.02) =   0.001%
          HB3   HIS  122 - HA    LYS+  65  14.16 +/- 3.10   2.803% *  0.0089% (0.05   0.02   0.02) =   0.001%
          QE    LYS+ 121 - HA    LYS+  65  15.93 +/- 2.90   2.118% *  0.0107% (0.06   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+ 121  25.83 +/- 4.47   0.560% *  0.0262% (0.15   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+  65  15.11 +/- 1.82   1.516% *  0.0073% (0.04   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  65  17.40 +/- 4.77   4.745% *  0.0016% (0.01   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+  65  19.75 +/- 3.70   1.525% *  0.0048% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1543 (3.94, 1.66, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.993, support = 8.22, residual support = 303.8:
    * O T HA    LYS+ 121 - HB2   LYS+ 121   2.95 +/- 0.12  76.281% * 81.8085% (1.00  10.0 10.00   8.30 313.10) =  97.010%  kept
          HA    ALA  120 - HB2   LYS+ 121   5.67 +/- 0.18  10.929% * 17.5146% (0.76   1.0  1.00   5.60   2.95) =   2.976%  kept
          QB    SER  117 - HB2   LYS+ 121   6.88 +/- 1.02   7.927% *  0.0683% (0.84   1.0  1.00   0.02   0.02) =   0.008%
        T HA    LYS+  65 - HB2   LYS+ 121  16.70 +/- 2.32   0.533% *  0.2791% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          QB    SER   48 - HB2   LYS+ 121  21.18 +/- 4.08   0.764% *  0.0774% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HB2   LYS+ 121  11.04 +/- 2.08   2.109% *  0.0227% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB2   LYS+ 121  21.07 +/- 3.99   0.545% *  0.0811% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HB2   LYS+ 121  16.66 +/- 2.50   0.495% *  0.0811% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HB2   LYS+ 121  22.02 +/- 4.97   0.260% *  0.0336% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LYS+ 121  24.30 +/- 2.88   0.156% *  0.0336% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1544 (1.66, 1.66, 32.89 ppm):
    1 diagonal assignment:
    *     HB2   LYS+ 121 - HB2   LYS+ 121  (1.00)  kept
 
    Peak 1545 (1.15, 1.66, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 7.75, residual support = 312.6:
    * O T HG2   LYS+ 121 - HB2   LYS+ 121   2.86 +/- 0.20  83.886% * 98.0880% (1.00  10.0 10.00   7.76 313.10) =  99.851%  kept
          HG13  ILE  119 - HB2   LYS+ 121   6.82 +/- 0.48   6.895% *  1.6678% (0.31   1.0  1.00   1.10   8.33) =   0.140%  kept
          QG2   VAL  107 - HB2   LYS+ 121  10.27 +/- 4.72   5.079% *  0.0905% (0.92   1.0  1.00   0.02   0.02) =   0.006%
          QB    ALA   20 - HB2   LYS+ 121  16.45 +/- 4.69   3.092% *  0.0785% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HG13  ILE  103 - HB2   LYS+ 121  17.00 +/- 6.04   0.715% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   LYS+ 121  21.32 +/- 4.66   0.334% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1546 (0.80, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.994, support = 7.11, residual support = 309.2:
    * O T HG3   LYS+ 121 - HB2   LYS+ 121   2.76 +/- 0.17  91.258% * 80.4848% (1.00  10.0 10.00   7.18 313.10) =  98.746%  kept
        T QD2   LEU  123 - HB2   LYS+ 121   7.68 +/- 0.59   4.838% * 19.1739% (0.49   1.0 10.00   0.98   2.32) =   1.247%  kept
        T QD2   LEU   73 - HB2   LYS+ 121  14.57 +/- 3.52   1.497% *  0.2745% (0.34   1.0 10.00   0.02   0.02) =   0.006%
          QD1   ILE   56 - HB2   LYS+ 121  10.26 +/- 1.07   2.093% *  0.0488% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB2   LYS+ 121  20.96 +/- 4.20   0.313% *  0.0179% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1547 (1.50, 1.66, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.75, support = 8.48, residual support = 313.1:
    * O T HD2   LYS+ 121 - HB2   LYS+ 121   2.33 +/- 0.60  34.628% * 74.7463% (1.00  10.0 10.00   8.34 313.10) =  63.899%  kept
      O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  63.368% * 23.0703% (0.31  10.0 10.00   8.72 313.10) =  36.091%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  14.48 +/- 3.95   0.243% *  0.5985% (0.80   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   LYS+  74 - HB2   LYS+ 121  17.31 +/- 4.11   0.167% *  0.5712% (0.76   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  65 - HB2   LYS+ 121  16.82 +/- 2.17   0.095% *  0.7408% (0.99   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+  74 - HB2   LYS+ 121  17.31 +/- 4.71   0.407% *  0.1479% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HB2   LYS+ 121  14.89 +/- 8.12   0.569% *  0.0231% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  19.73 +/- 4.06   0.079% *  0.0721% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB2   LYS+ 121  16.27 +/- 6.21   0.312% *  0.0131% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  14.84 +/- 1.90   0.131% *  0.0166% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1548 (2.75, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.967, support = 7.03, residual support = 260.8:
    *     QE    LYS+ 121 - HB2   LYS+ 121   3.57 +/- 0.33  74.025% * 56.5802% (1.00   7.16 313.10) =  79.743%  kept
          HB3   HIS  122 - HB2   LYS+ 121   5.32 +/- 0.45  24.618% * 43.2159% (0.84   6.54  54.95) =  20.256%  kept
          HG2   GLN   30 - HB2   LYS+ 121  22.17 +/- 4.27   0.471% *  0.1086% (0.69   0.02   0.02) =   0.001%
          HB3   ASN   28 - HB2   LYS+ 121  24.84 +/- 5.01   0.309% *  0.0709% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+ 121  23.70 +/- 3.89   0.578% *  0.0244% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1549 (3.94, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 7.3, residual support = 308.6:
    * O T HA    LYS+ 121 - HG2   LYS+ 121   2.60 +/- 0.48  80.756% * 84.3274% (1.00  10.0 10.00   7.34 313.10) =  98.563%  kept
          HA    ALA  120 - HG2   LYS+ 121   6.91 +/- 0.47   6.581% * 14.9748% (0.76   1.0  1.00   4.65   2.95) =   1.426%  kept
          QB    SER  117 - HG2   LYS+ 121   8.33 +/- 1.72   5.157% *  0.0704% (0.84   1.0  1.00   0.02   0.02) =   0.005%
        T HA    LYS+  65 - HG2   LYS+ 121  18.47 +/- 2.97   0.557% *  0.2876% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HA    PHE   60 - HG2   LYS+ 121  13.22 +/- 2.55   5.163% *  0.0234% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER   48 - HG2   LYS+ 121  22.76 +/- 4.81   0.501% *  0.0798% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HG2   LYS+ 121  18.60 +/- 2.97   0.440% *  0.0836% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HG2   LYS+ 121  23.02 +/- 4.67   0.352% *  0.0836% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   LYS+ 121  22.73 +/- 5.32   0.340% *  0.0347% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+ 121  25.63 +/- 3.50   0.153% *  0.0347% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1550 (1.66, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.76, residual support = 313.1:
    * O T HB2   LYS+ 121 - HG2   LYS+ 121   2.86 +/- 0.20  88.714% * 99.4783% (1.00  10.0 10.00   7.76 313.10) =  99.994%  kept
          HB2   LEU  123 - HG2   LYS+ 121   7.62 +/- 0.69   5.233% *  0.0307% (0.31   1.0  1.00   0.02   2.32) =   0.002%
          QD    LYS+  38 - HG2   LYS+ 121  20.59 +/- 6.60   1.217% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - HG2   LYS+ 121  16.88 +/- 3.02   1.012% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HG2   LYS+ 121  18.85 +/- 4.43   1.032% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG2   LYS+ 121  14.23 +/- 2.37   1.246% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 121  19.24 +/- 6.77   0.639% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 121  25.42 +/- 3.68   0.167% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 121  19.34 +/- 3.09   0.398% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG2   LYS+ 121  18.88 +/- 2.39   0.342% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1551 (1.15, 1.15, 24.39 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 121 - HG2   LYS+ 121  (1.00)  kept
 
    Peak 1552 (0.80, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 313.1:
    * O T HG3   LYS+ 121 - HG2   LYS+ 121   1.75 +/- 0.00  98.366% * 99.3314% (1.00  10.0 10.00   6.31 313.10) =  99.998%  kept
        T QD2   LEU   73 - HG2   LYS+ 121  15.88 +/- 3.79   0.235% *  0.3388% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU  123 - HG2   LYS+ 121   8.56 +/- 0.75   0.961% *  0.0483% (0.49   1.0  1.00   0.02   2.32) =   0.000%
          QD1   ILE   56 - HG2   LYS+ 121  12.10 +/- 1.41   0.356% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   31 - HG2   LYS+ 121  22.01 +/- 4.80   0.082% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1553 (1.50, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.828, support = 7.31, residual support = 313.0:
    * O T HD2   LYS+ 121 - HG2   LYS+ 121   2.84 +/- 0.15  45.611% * 75.5250% (1.00  10.0 10.00   7.20 313.10) =  75.063%  kept
      O T HB3   LYS+ 121 - HG2   LYS+ 121   2.77 +/- 0.16  49.064% * 23.3106% (0.31  10.0 10.00   7.67 313.10) =  24.922%  kept
        T QD    LYS+  66 - HG2   LYS+ 121  15.83 +/- 4.39   0.741% *  0.6048% (0.80   1.0 10.00   0.02   0.02) =   0.010%
        T HD3   LYS+  74 - HG2   LYS+ 121  18.93 +/- 5.08   0.741% *  0.1495% (0.20   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   LYS+ 111 - HG2   LYS+ 121  16.87 +/- 2.56   0.281% *  0.1681% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HG2   LYS+ 121  15.39 +/- 9.28   1.998% *  0.0233% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HG2   LYS+ 121  18.86 +/- 4.54   0.363% *  0.0577% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+ 121  18.63 +/- 2.72   0.224% *  0.0749% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG2   LYS+ 121  20.57 +/- 4.72   0.223% *  0.0729% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+ 121  17.20 +/- 7.02   0.753% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1554 (2.75, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 0.994, support = 6.27, residual support = 303.5:
    * O   QE    LYS+ 121 - HG2   LYS+ 121   2.50 +/- 0.56  84.781% * 81.5171% (1.00  10.0   6.31 313.10) =  96.293%  kept
          HB3   HIS  122 - HG2   LYS+ 121   6.44 +/- 0.98  14.475% * 18.3778% (0.84   1.0   5.40  54.95) =   3.706%  kept
          HG2   GLN   30 - HG2   LYS+ 121  23.16 +/- 4.92   0.311% *  0.0560% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG2   LYS+ 121  25.82 +/- 5.68   0.229% *  0.0365% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+ 121  25.23 +/- 4.58   0.203% *  0.0126% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1555 (3.94, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 0.995, support = 6.68, residual support = 308.1:
    * O T HA    LYS+ 121 - HG3   LYS+ 121   3.27 +/- 0.44  50.127% * 85.2404% (1.00  10.0 10.00   6.73 313.10) =  98.402%  kept
          HA    ALA  120 - HG3   LYS+ 121   7.58 +/- 0.31   4.559% * 13.0205% (0.76   1.0  1.00   4.00   2.95) =   1.367%  kept
          HA    PHE   60 - QD2   LEU   73   8.89 +/- 3.13  16.960% *  0.4885% (0.09   1.0  1.00   1.21   2.22) =   0.191%  kept
        T HA    LYS+  65 - QD2   LEU   73   9.11 +/- 1.52   4.605% *  0.0992% (0.12   1.0 10.00   0.02   0.02) =   0.011%
          QB    SER  117 - HG3   LYS+ 121   8.14 +/- 1.35   5.027% *  0.0712% (0.84   1.0  1.00   0.02   0.02) =   0.008%
        T HA    LYS+ 121 - QD2   LEU   73  16.28 +/- 3.56   0.683% *  0.2907% (0.34   1.0 10.00   0.02   0.02) =   0.005%
        T HA    LYS+  65 - HG3   LYS+ 121  18.25 +/- 3.05   0.556% *  0.2908% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          HA    PHE   60 - HG3   LYS+ 121  12.99 +/- 2.65   6.045% *  0.0237% (0.28   1.0  1.00   0.02   0.02) =   0.003%
          QB    SER   48 - HG3   LYS+ 121  22.43 +/- 4.78   1.359% *  0.0806% (0.95   1.0  1.00   0.02   0.02) =   0.003%
          HA2   GLY   51 - HG3   LYS+ 121  22.96 +/- 4.71   0.630% *  0.0845% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - QD2   LEU   73  10.95 +/- 1.73   1.729% *  0.0288% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QD2   LEU   73  14.69 +/- 3.43   1.689% *  0.0243% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HG3   LYS+ 121  17.91 +/- 2.94   0.454% *  0.0845% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - QD2   LEU   73  13.50 +/- 2.61   1.094% *  0.0275% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QD2   LEU   73  16.46 +/- 3.63   1.189% *  0.0222% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD2   LEU   73  12.09 +/- 3.04   1.538% *  0.0119% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD2   LEU   73  17.06 +/- 3.35   0.486% *  0.0288% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 121  22.41 +/- 5.21   0.294% *  0.0350% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD2   LEU   73  14.22 +/- 2.23   0.825% *  0.0119% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 121  25.01 +/- 3.41   0.153% *  0.0350% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1556 (1.66, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 0.993, support = 7.16, residual support = 310.6:
    * O T HB2   LYS+ 121 - HG3   LYS+ 121   2.76 +/- 0.17  63.555% * 89.5403% (1.00  10.0 10.00   7.18 313.10) =  99.109%  kept
          HD2   LYS+  74 - QD2   LEU   73   6.85 +/- 1.08   7.887% *  5.0294% (0.21   1.0  1.00   5.43  42.48) =   0.691%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.49 +/- 0.63   2.344% *  4.5414% (0.31   1.0 10.00   0.33   2.32) =   0.185%  kept
        T HB2   LYS+ 121 - QD2   LEU   73  14.57 +/- 3.52   1.035% *  0.3053% (0.34   1.0 10.00   0.02   0.02) =   0.006%
          HG3   PRO   93 - QD2   LEU   73  14.22 +/- 3.39  11.435% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  65 - HG3   LYS+ 121  16.71 +/- 3.23   1.028% *  0.0893% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   83 - QD2   LEU   73  11.47 +/- 3.26   2.038% *  0.0299% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - QD2   LEU   73   9.93 +/- 1.46   1.767% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HG3   LYS+ 121  20.13 +/- 6.55   0.587% *  0.0803% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - QD2   LEU   73  11.58 +/- 1.86   1.366% *  0.0274% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HG3   LYS+ 121  18.40 +/- 4.54   0.646% *  0.0543% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HG3   LYS+ 121  18.43 +/- 6.72   0.618% *  0.0471% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QD2   LEU   73  10.83 +/- 2.67   2.791% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 121  14.14 +/- 2.35   0.698% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  14.32 +/- 2.46   0.635% *  0.0161% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 121  24.75 +/- 3.45   0.114% *  0.0878% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  18.85 +/- 3.06   0.259% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  17.14 +/- 3.67   0.663% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+ 121  18.50 +/- 2.20   0.243% *  0.0249% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU   73  19.54 +/- 3.60   0.291% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1557 (1.15, 0.80, 24.39 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 313.1:
    * O T HG2   LYS+ 121 - HG3   LYS+ 121   1.75 +/- 0.00  88.739% * 98.9593% (1.00  10.0 10.00   6.31 313.10) =  99.993%  kept
        T HB3   LEU   31 - QD2   LEU   73   7.46 +/- 2.25   1.899% *  0.0938% (0.09   1.0 10.00   0.02   1.88) =   0.002%
          QB    ALA   20 - QD2   LEU   73   5.90 +/- 1.49   3.459% *  0.0270% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HG3   LYS+ 121  11.49 +/- 5.00   0.852% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 121 - QD2   LEU   73  15.88 +/- 3.79   0.212% *  0.3375% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HG3   LYS+ 121  17.22 +/- 4.99   0.633% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - QD2   LEU   73  10.81 +/- 2.74   1.089% *  0.0312% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - HG3   LYS+ 121  21.52 +/- 5.43   0.082% *  0.2751% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG3   LYS+ 121   9.30 +/- 0.50   0.613% *  0.0305% (0.31   1.0  1.00   0.02   8.33) =   0.000%
          HG13  ILE  119 - QD2   LEU   73  13.00 +/- 3.67   1.644% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HG3   LYS+ 121  17.17 +/- 6.99   0.219% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD2   LEU   73  11.92 +/- 2.71   0.560% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1558 (0.80, 0.80, 24.39 ppm):
    2 diagonal assignments:
    *     HG3   LYS+ 121 - HG3   LYS+ 121  (1.00)  kept
          QD2   LEU   73 - QD2   LEU   73  (0.12)  kept
 
    Peak 1559 (1.50, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 0.75, support = 6.74, residual support = 308.8:
    * O T HD2   LYS+ 121 - HG3   LYS+ 121   2.90 +/- 0.07  26.798% * 67.7627% (1.00  10.0 10.00   6.63 313.10) =  63.995%  kept
      O T HB3   LYS+ 121 - HG3   LYS+ 121   2.39 +/- 0.21  46.716% * 20.9148% (0.31  10.0 10.00   7.00 313.10) =  34.432%  kept
          HB2   LYS+  74 - QD2   LEU   73   5.62 +/- 0.97   6.648% *  5.2918% (0.26   1.0  1.00   5.99  42.48) =   1.240%  kept
        T HD3   LYS+  74 - QD2   LEU   73   7.80 +/- 1.18   1.890% *  4.5729% (0.07   1.0 10.00   2.88  42.48) =   0.305%  kept
        T QD    LYS+  66 - HG3   LYS+ 121  15.88 +/- 4.31   0.494% *  0.5426% (0.80   1.0 10.00   0.02   0.02) =   0.009%
          QG2   THR   26 - QD2   LEU   73   6.24 +/- 1.85   5.593% *  0.0223% (0.33   1.0  1.00   0.02   0.02) =   0.004%
        T HD2   LYS+ 121 - QD2   LEU   73  14.46 +/- 3.73   0.399% *  0.2311% (0.34   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  66 - QD2   LEU   73  11.77 +/- 1.40   0.467% *  0.1850% (0.27   1.0 10.00   0.02   0.02) =   0.003%
        T HD3   LYS+  74 - HG3   LYS+ 121  18.50 +/- 5.19   0.586% *  0.1341% (0.20   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU  104 - HG3   LYS+ 121  14.57 +/- 9.18   1.701% *  0.0209% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+ 121 - QD2   LEU   73  15.00 +/- 3.62   0.385% *  0.0713% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - QD2   LEU   73   8.70 +/- 2.41   5.473% *  0.0040% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - QD2   LEU   73  10.16 +/- 1.40   0.721% *  0.0229% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HG3   LYS+ 121  18.41 +/- 4.54   0.266% *  0.0518% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 121  20.10 +/- 4.58   0.200% *  0.0654% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 121  18.44 +/- 2.89   0.170% *  0.0672% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 121  16.64 +/- 7.04   0.541% *  0.0119% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD2   LEU   73  12.13 +/- 2.49   0.494% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+ 121  16.51 +/- 2.34   0.197% *  0.0151% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU   73  17.28 +/- 3.51   0.263% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1560 (2.75, 0.80, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.995, support = 5.97, residual support = 308.2:
    * O   QE    LYS+ 121 - HG3   LYS+ 121   2.79 +/- 0.45  64.022% * 81.8524% (1.00  10.0   6.00 313.10) =  98.144%  kept
          HB3   HIS  122 - HG3   LYS+ 121   6.97 +/- 0.83   4.893% * 17.4177% (0.84   1.0   5.10  54.95) =   1.596%  kept
          HG2   GLN   30 - QD2   LEU   73   6.10 +/- 2.72  24.783% *  0.5563% (0.23   1.0   0.58   5.67) =   0.258%  kept
          HB3   ASN   28 - QD2   LEU   73   9.24 +/- 2.20   2.667% *  0.0125% (0.15   1.0   0.02   1.21) =   0.001%
          HB3   HIS  122 - QD2   LEU   73  13.95 +/- 3.78   1.231% *  0.0233% (0.28   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 121 - QD2   LEU   73  13.63 +/- 3.85   0.988% *  0.0279% (0.34   1.0   0.02   0.02) =   0.001%
          HG2   GLN   30 - HG3   LYS+ 121  22.61 +/- 4.79   0.186% *  0.0562% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG3   LYS+ 121  25.10 +/- 5.77   0.137% *  0.0367% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD2   LEU   73  13.36 +/- 1.47   0.822% *  0.0043% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 121  24.79 +/- 4.48   0.272% *  0.0126% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1561 (3.94, 1.50, 29.95 ppm):
    30 chemical-shift based assignments, quality = 0.958, support = 7.29, residual support = 269.4:
    *   T HA    LYS+ 121 - HD2   LYS+ 121   3.94 +/- 0.50  28.574% * 54.8290% (1.00 10.00   7.76 313.10) =  85.797%  kept
        T HA    ALA  120 - HD2   LYS+ 121   6.82 +/- 0.58   5.612% * 41.9018% (0.76 10.00   4.41   2.95) =  12.877%  kept
        T HA    LYS+  65 - QD    LYS+  66   6.06 +/- 0.72   8.980% *  2.3256% (0.04 10.00   5.56  30.70) =   1.144%  kept
          QB    SER  117 - HD2   LYS+ 121   7.91 +/- 2.13   9.108% *  0.2663% (0.84  1.00   0.12   0.02) =   0.133%  kept
        T HA    LYS+  65 - HD3   LYS+  74   9.51 +/- 3.96   7.754% *  0.0292% (0.05 10.00   0.02   0.02) =   0.012%
        T HA    LYS+ 121 - HD3   LYS+  74  19.39 +/- 5.08   1.981% *  0.0855% (0.16 10.00   0.02   0.02) =   0.009%
        T HA    LYS+  65 - HD2   LYS+ 121  16.67 +/- 2.82   0.629% *  0.1870% (0.34 10.00   0.02   0.02) =   0.006%
        T HA    LYS+ 121 - QD    LYS+  66  15.52 +/- 4.51   1.183% *  0.0682% (0.12 10.00   0.02   0.02) =   0.004%
          HA    PHE   60 - HD2   LYS+ 121  11.26 +/- 2.16   2.758% *  0.0152% (0.28  1.00   0.02   0.02) =   0.002%
          QB    SER  117 - HD3   LYS+  74  17.35 +/- 5.21   4.398% *  0.0071% (0.13  1.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - HD2   LYS+ 121  21.32 +/- 4.44   0.539% *  0.0543% (0.99  1.00   0.02   0.02) =   0.002%
          QB    SER  117 - QD    LYS+  66  15.15 +/- 4.12   4.731% *  0.0057% (0.10  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HD2   LYS+ 121  17.20 +/- 2.80   0.461% *  0.0543% (0.99  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HD3   LYS+  74  13.42 +/- 5.05   2.838% *  0.0081% (0.15  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HD2   LYS+ 121  21.39 +/- 4.23   0.432% *  0.0519% (0.95  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HD3   LYS+  74   9.93 +/- 3.83   5.450% *  0.0024% (0.04  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - QD    LYS+  66  17.27 +/- 4.41   1.749% *  0.0064% (0.12  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HD3   LYS+  74  13.01 +/- 3.30   1.272% *  0.0085% (0.15  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QD    LYS+  66  14.00 +/- 4.65   2.058% *  0.0052% (0.10  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - QD    LYS+  66  17.65 +/- 4.35   1.383% *  0.0068% (0.12  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HD2   LYS+ 121  21.61 +/- 5.08   0.342% *  0.0225% (0.41  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+  74  16.97 +/- 4.77   0.909% *  0.0085% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+  74  19.04 +/- 4.82   0.930% *  0.0065% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  66  14.88 +/- 5.66   1.866% *  0.0028% (0.05  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD    LYS+  66   9.92 +/- 1.28   2.260% *  0.0019% (0.03  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 121  24.61 +/- 3.09   0.149% *  0.0225% (0.41  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  66  17.62 +/- 2.72   0.417% *  0.0068% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+  74  16.19 +/- 3.21   0.626% *  0.0035% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+  74  17.40 +/- 2.01   0.433% *  0.0035% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  66  22.65 +/- 2.10   0.176% *  0.0028% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1562 (1.66, 1.50, 29.95 ppm):
    30 chemical-shift based assignments, quality = 0.859, support = 7.57, residual support = 292.0:
    * O T HB2   LYS+ 121 - HD2   LYS+ 121   2.33 +/- 0.60  31.788% * 79.1506% (1.00  10.0 10.00   8.34 313.10) =  84.437%  kept
      O   HD2   LYS+  74 - HD3   LYS+  74   1.75 +/- 0.00  58.128% *  7.4880% (0.09  10.0  1.00   3.34 186.90) =  14.607%  kept
        T QD    LYS+  65 - QD    LYS+  66   5.60 +/- 1.14   2.829% *  9.8204% (0.12   1.0 10.00   4.30  30.70) =   0.932%  kept
        T QD    LYS+  65 - HD3   LYS+  74   9.22 +/- 3.82   1.460% *  0.1232% (0.16   1.0 10.00   0.02   0.02) =   0.006%
        T QD    LYS+  38 - HD2   LYS+ 121  19.98 +/- 6.11   0.173% *  0.7098% (0.90   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  65 - HD2   LYS+ 121  15.25 +/- 2.83   0.149% *  0.7897% (1.00   1.0 10.00   0.02   0.02) =   0.004%
        T HD2   LYS+  74 - HD2   LYS+ 121  17.13 +/- 4.03   0.130% *  0.4801% (0.61   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - QD    LYS+  66  17.71 +/- 3.85   0.559% *  0.0883% (0.11   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LYS+ 121 - HD3   LYS+  74  17.31 +/- 4.71   0.374% *  0.1235% (0.16   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HD2   LYS+ 121  19.00 +/- 5.90   0.090% *  0.4164% (0.53   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 121 - QD    LYS+  66  14.48 +/- 3.95   0.224% *  0.0984% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HD2   LYS+ 121   7.80 +/- 0.59   0.721% *  0.0244% (0.31   1.0  1.00   0.02   2.32) =   0.001%
        T HD3   LYS+ 111 - HD2   LYS+ 121  17.99 +/- 2.55   0.072% *  0.2201% (0.28   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HD3   LYS+  74  19.31 +/- 3.71   0.080% *  0.1107% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   LYS+ 121  12.66 +/- 2.35   0.353% *  0.0244% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+  74  10.85 +/- 3.71   0.996% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD3   LYS+  74  20.88 +/- 3.25   0.051% *  0.0650% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QD    LYS+  66  21.31 +/- 4.58   0.105% *  0.0274% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   LYS+ 121  24.16 +/- 2.98   0.027% *  0.0776% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   LYS+ 121  18.01 +/- 3.13   0.069% *  0.0270% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD    LYS+  66  11.46 +/- 2.40   0.314% *  0.0060% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QD    LYS+  66  22.30 +/- 2.94   0.035% *  0.0518% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+  74  14.35 +/- 2.18   0.139% *  0.0121% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD    LYS+  66  14.08 +/- 4.76   0.462% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+  74  22.85 +/- 4.45   0.038% *  0.0343% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+  74  15.46 +/- 4.28   0.199% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD    LYS+  66  11.87 +/- 1.49   0.222% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD3   LYS+  74  19.89 +/- 4.47   0.103% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD    LYS+  66  20.99 +/- 1.99   0.037% *  0.0096% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD    LYS+  66  17.94 +/- 3.29   0.073% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1563 (1.15, 1.50, 29.95 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 7.19, residual support = 313.0:
    * O T HG2   LYS+ 121 - HD2   LYS+ 121   2.84 +/- 0.15  64.169% * 99.3656% (1.00  10.0 10.00   7.20 313.10) =  99.979%  kept
          QB    ALA   20 - HD2   LYS+ 121  16.22 +/- 4.95   5.157% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.006%
          QG2   VAL  107 - HD2   LYS+ 121  10.86 +/- 5.02   3.240% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.005%
        T HG2   LYS+ 121 - HD3   LYS+  74  18.93 +/- 5.08   1.073% *  0.1550% (0.16   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   20 - HD3   LYS+  74   6.42 +/- 1.64  10.560% *  0.0124% (0.12   1.0  1.00   0.02   6.49) =   0.002%
          HG13  ILE  119 - HD2   LYS+ 121   7.71 +/- 0.78   3.644% *  0.0307% (0.31   1.0  1.00   0.02   8.33) =   0.002%
        T HG2   LYS+ 121 - QD    LYS+  66  15.83 +/- 4.39   0.889% *  0.1236% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          HG13  ILE  103 - HD2   LYS+ 121  17.33 +/- 6.38   0.584% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HD3   LYS+  74  13.34 +/- 3.37   1.103% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD    LYS+  66  13.96 +/- 2.89   1.380% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    LYS+  66  11.51 +/- 1.50   1.297% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD    LYS+  66  11.73 +/- 3.29   2.229% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD2   LYS+ 121  21.04 +/- 5.18   0.291% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    LYS+  66  18.74 +/- 4.51   1.828% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+  74  14.61 +/- 3.97   0.966% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+  74  15.99 +/- 3.39   0.919% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD3   LYS+  74  17.86 +/- 3.69   0.470% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD    LYS+  66  20.73 +/- 2.87   0.202% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1564 (0.80, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.63, residual support = 313.0:
    * O T HG3   LYS+ 121 - HD2   LYS+ 121   2.90 +/- 0.07  67.254% * 99.1222% (1.00  10.0 10.00   6.63 313.10) =  99.979%  kept
        T QD2   LEU   73 - HD2   LYS+ 121  14.46 +/- 3.73   1.003% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.005%
        T QD2   LEU   73 - HD3   LYS+  74   7.80 +/- 1.18   5.261% *  0.0527% (0.05   1.0 10.00   0.02  42.48) =   0.004%
        T HG3   LYS+ 121 - HD3   LYS+  74  18.50 +/- 5.19   1.636% *  0.1546% (0.16   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU  123 - HD2   LYS+ 121   8.28 +/- 0.82   3.348% *  0.0482% (0.49   1.0  1.00   0.02   2.32) =   0.002%
        T HG3   LYS+ 121 - QD    LYS+  66  15.88 +/- 4.31   1.056% *  0.1233% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          QD1   ILE   56 - HD2   LYS+ 121  10.58 +/- 1.31   1.654% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T QD2   LEU   73 - QD    LYS+  66  11.77 +/- 1.40   1.189% *  0.0420% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU  123 - QD    LYS+  66  10.83 +/- 4.03   6.802% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HD3   LYS+  74  12.01 +/- 3.66   4.012% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - QD    LYS+  66  11.39 +/- 2.04   1.568% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD2   LYS+ 121  20.72 +/- 4.71   0.339% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD    LYS+  66  18.01 +/- 4.29   2.424% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+  74  14.16 +/- 3.04   1.850% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+  74  16.22 +/- 3.42   0.603% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1565 (1.50, 1.50, 29.95 ppm):
    3 diagonal assignments:
    *     HD2   LYS+ 121 - HD2   LYS+ 121  (1.00)  kept
          QD    LYS+  66 - QD    LYS+  66  (0.10)  kept
          HD3   LYS+  74 - HD3   LYS+  74  (0.03)  kept
 
    Peak 1566 (2.75, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 0.992, support = 6.49, residual support = 300.4:
    * O   QE    LYS+ 121 - HD2   LYS+ 121   2.25 +/- 0.08  64.090% * 79.6726% (1.00  10.0  1.00   6.52 313.10) =  95.093%  kept
          HB3   HIS  122 - HD2   LYS+ 121   5.38 +/- 1.32  13.458% * 19.5242% (0.84   1.0  1.00   5.87  54.95) =   4.893%  kept
        T HG2   GLN   30 - HD3   LYS+  74  12.60 +/- 3.41   6.135% *  0.0854% (0.11   1.0 10.00   0.02   0.02) =   0.010%
          HB3   HIS  122 - QD    LYS+  66  11.66 +/- 4.63   7.750% *  0.0083% (0.10   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   GLN   30 - HD2   LYS+ 121  21.80 +/- 4.63   0.117% *  0.5473% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASN   28 - QD    LYS+  66  21.20 +/- 5.92   5.299% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - QD    LYS+  66  17.26 +/- 2.95   0.280% *  0.0681% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QD    LYS+  66  13.75 +/- 3.72   0.708% *  0.0099% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HD3   LYS+  74  16.33 +/- 4.43   0.443% *  0.0124% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD3   LYS+  74  16.22 +/- 4.08   0.295% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD2   LYS+ 121  24.62 +/- 5.49   0.079% *  0.0357% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+  74  17.06 +/- 3.13   0.298% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+  74  10.86 +/- 1.83   0.739% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+ 121  23.79 +/- 3.97   0.088% *  0.0123% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  66  18.36 +/- 3.45   0.221% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1567 (4.88, 4.88, 56.57 ppm):
    1 diagonal assignment:
    *     HA    HIS  122 - HA    HIS  122  (1.00)  kept
 
    Peak 1568 (3.45, 4.88, 56.57 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.76, residual support = 71.4:
    * O T HB2   HIS  122 - HA    HIS  122   2.54 +/- 0.21  99.069% * 99.8210% (1.00  10.0 10.00   2.76  71.38) =  99.999%  kept
          HB    THR   46 - HA    HIS  122  19.20 +/- 3.49   0.484% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    HIS  122  15.97 +/- 0.73   0.448% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1569 (2.76, 4.88, 56.57 ppm):
    5 chemical-shift based assignments, quality = 0.989, support = 3.78, residual support = 70.2:
    * O T HB3   HIS  122 - HA    HIS  122   2.81 +/- 0.29  64.267% * 87.8917% (1.00  10.0 10.00   3.82  71.38) =  93.024%  kept
          QE    LYS+ 121 - HA    HIS  122   4.63 +/- 1.84  35.217% * 12.0268% (0.84   1.0  1.00   3.28  54.95) =   6.975%  kept
          HG2   GLN   30 - HA    HIS  122  22.08 +/- 5.06   0.207% *  0.0300% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    HIS  122  24.91 +/- 4.06   0.168% *  0.0361% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    HIS  122  25.42 +/- 5.65   0.141% *  0.0154% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1570 (4.88, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.76, residual support = 71.4:
    * O T HA    HIS  122 - HB2   HIS  122   2.54 +/- 0.21  98.099% * 99.8702% (1.00  10.0 10.00   2.76  71.38) =  99.999%  kept
          HA    VAL   41 - HB2   HIS  122  16.47 +/- 5.44   1.350% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   45 - HB2   HIS  122  18.33 +/- 2.96   0.330% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   HIS  122  21.87 +/- 3.06   0.221% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1571 (3.45, 3.45, 31.73 ppm):
    1 diagonal assignment:
    *     HB2   HIS  122 - HB2   HIS  122  (1.00)  kept
 
    Peak 1572 (2.76, 3.45, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 3.73, residual support = 71.3:
    * O T HB3   HIS  122 - HB2   HIS  122   1.75 +/- 0.00  95.440% * 85.9540% (1.00  10.0 10.00   3.72  71.38) =  99.266%  kept
          QE    LYS+ 121 - HB2   HIS  122   6.06 +/- 1.76   4.341% * 13.9663% (0.84   1.0  1.00   3.89  54.95) =   0.734%  kept
          HG2   GLN   30 - HB2   HIS  122  21.14 +/- 5.05   0.098% *  0.0293% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   HIS  122  23.63 +/- 3.86   0.066% *  0.0353% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   HIS  122  24.71 +/- 5.50   0.055% *  0.0151% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1573 (4.88, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.82, residual support = 71.4:
    * O T HA    HIS  122 - HB3   HIS  122   2.81 +/- 0.29  97.486% * 99.8702% (1.00  10.0 10.00   3.82  71.38) =  99.999%  kept
          HA    VAL   41 - HB3   HIS  122  16.27 +/- 5.27   1.502% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   45 - HB3   HIS  122  17.62 +/- 3.05   0.591% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   HIS  122  21.02 +/- 2.99   0.421% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1574 (3.45, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.72, residual support = 71.4:
    * O T HB2   HIS  122 - HB3   HIS  122   1.75 +/- 0.00  99.355% * 99.8210% (1.00  10.0 10.00   3.72  71.38) =  99.999%  kept
          HB    THR   46 - HB3   HIS  122  17.13 +/- 3.66   0.448% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HB3   HIS  122  14.17 +/- 0.93   0.196% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1575 (2.76, 2.76, 31.73 ppm):
    1 diagonal assignment:
    *     HB3   HIS  122 - HB3   HIS  122  (1.00)  kept
 
    Peak 1576 (4.38, 4.38, 55.67 ppm):
    1 diagonal assignment:
    *     HA    LEU  123 - HA    LEU  123  (1.00)  kept
 
    Peak 1577 (1.68, 4.38, 55.67 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.13, residual support = 202.2:
    * O T HB2   LEU  123 - HA    LEU  123   2.97 +/- 0.17  89.137% * 98.5720% (1.00  10.0 10.00   6.13 202.21) =  99.988%  kept
        T QD    LYS+  99 - HA    LEU  123  19.00 +/- 7.52   1.134% *  0.4052% (0.41   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+ 106 - HA    LEU  123  19.28 +/- 3.96   0.460% *  0.4419% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+ 121 - HA    LEU  123   7.84 +/- 0.15   4.913% *  0.0304% (0.31   1.0  1.00   0.02   2.32) =   0.002%
          HG3   PRO   93 - HA    LEU  123  20.91 +/- 4.08   0.609% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HA    LEU  123  22.85 +/- 4.18   0.643% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HA    LEU  123  22.71 +/- 6.17   0.811% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - HA    LEU  123  15.15 +/- 3.16   1.145% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LEU  123  21.09 +/- 4.40   0.476% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU  123  20.45 +/- 1.59   0.300% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU  123  23.98 +/- 4.88   0.241% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LEU  123  28.14 +/- 3.42   0.131% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1578 (1.63, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.54, residual support = 202.2:
    * O T HB3   LEU  123 - HA    LEU  123   2.52 +/- 0.11  97.761% * 99.6484% (1.00  10.0 10.00   5.54 202.21) =  99.998%  kept
          QB    ALA   57 - HA    LEU  123  13.70 +/- 2.80   1.168% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - HA    LEU  123  23.32 +/- 5.18   0.249% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LEU  123  19.61 +/- 3.98   0.315% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LEU  123  21.04 +/- 1.71   0.181% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LEU  123  20.34 +/- 4.06   0.326% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1579 (1.85, 4.38, 55.67 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.41, residual support = 202.1:
    * O T HG    LEU  123 - HA    LEU  123   3.59 +/- 0.45  71.205% * 98.6685% (0.69  10.0 10.00   5.41 202.21) =  99.963%  kept
          HG3   PRO   68 - HA    LEU  123  16.28 +/- 7.61   9.868% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.019%
        T HB    ILE   56 - HA    LEU  123  15.02 +/- 3.08   1.831% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.007%
          QB    LYS+  66 - HA    LEU  123  12.39 +/- 4.55  11.115% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HA    LEU  123  17.40 +/- 7.17   1.566% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HA    LEU  123  19.87 +/- 3.81   0.693% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - HA    LEU  123  20.64 +/- 4.50   0.748% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    LEU  123  18.70 +/- 4.11   0.763% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HA    LEU  123  23.35 +/- 5.40   0.429% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    LEU  123  23.94 +/- 4.49   0.377% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HA    LEU  123  22.87 +/- 5.06   0.433% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU  123  21.07 +/- 4.48   0.589% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LEU  123  26.39 +/- 3.63   0.217% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  123  27.87 +/- 3.40   0.167% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1580 (0.86, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.01, residual support = 202.2:
    *   T QD1   LEU  123 - HA    LEU  123   2.24 +/- 0.54  96.190% * 99.6081% (1.00 10.00   6.01 202.21) =  99.997%  kept
          QG1   VAL   70 - HA    LEU  123  13.61 +/- 4.92   1.323% *  0.0919% (0.92  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HA    LEU  123  16.94 +/- 4.11   0.665% *  0.0832% (0.84  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    LEU  123  19.17 +/- 8.04   0.540% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU  123  17.28 +/- 3.97   0.346% *  0.0996% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    LEU  123  13.25 +/- 3.79   0.936% *  0.0340% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1581 (0.82, 4.38, 55.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.91, residual support = 202.2:
    *   T QD2   LEU  123 - HA    LEU  123   2.96 +/- 0.40  94.897% * 99.9316% (1.00 10.00   4.91 202.21) =  99.998%  kept
          HG3   LYS+ 121 - HA    LEU  123   9.20 +/- 0.42   3.836% *  0.0486% (0.49  1.00   0.02   2.32) =   0.002%
          HB3   LEU  104 - HA    LEU  123  19.17 +/- 8.04   1.267% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1582 (4.38, 1.68, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.13, residual support = 202.2:
    * O T HA    LEU  123 - HB2   LEU  123   2.97 +/- 0.17  93.943% * 98.7431% (1.00  10.0 10.00   6.13 202.21) =  99.993%  kept
        T HA    LYS+  99 - HB2   LEU  123  21.98 +/- 6.01   0.399% *  0.8565% (0.87   1.0 10.00   0.02   0.02) =   0.004%
          HA    ILE   56 - HB2   LEU  123  14.41 +/- 2.24   1.192% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HB2   LEU  123  12.33 +/- 1.55   1.668% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   LEU  123  14.27 +/- 2.15   1.268% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HB2   LEU  123  20.30 +/- 5.25   0.677% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   LEU  123  26.43 +/- 5.07   0.218% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LEU  123  25.31 +/- 5.69   0.385% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU  123  29.43 +/- 6.47   0.250% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1583 (1.68, 1.68, 43.16 ppm):
    1 diagonal assignment:
    *     HB2   LEU  123 - HB2   LEU  123  (1.00)  kept
 
    Peak 1585 (1.85, 1.68, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.44, residual support = 202.2:
    * O T HG    LEU  123 - HB2   LEU  123   2.35 +/- 0.22  93.846% * 97.8726% (0.69  10.0 10.00   5.44 202.21) =  99.992%  kept
        T QB    LYS+ 106 - HB2   LEU  123  17.45 +/- 3.73   0.339% *  0.7496% (0.53   1.0 10.00   0.02   0.02) =   0.003%
          HG3   PRO   68 - HB2   LEU  123  17.20 +/- 6.75   0.995% *  0.1315% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HB2   LEU  123  16.28 +/- 6.67   0.645% *  0.1190% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HB2   LEU  123  21.05 +/- 4.06   0.179% *  0.3962% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - HB2   LEU  123  19.81 +/- 4.11   0.418% *  0.0979% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LEU  123  19.45 +/- 3.43   0.324% *  0.1236% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   LEU  123  13.10 +/- 4.00   1.376% *  0.0220% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LEU  123  14.29 +/- 2.81   1.150% *  0.0250% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LEU  123  22.43 +/- 4.79   0.153% *  0.1278% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LEU  123  26.01 +/- 3.68   0.181% *  0.0807% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   LEU  123  24.59 +/- 4.12   0.120% *  0.1035% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   LEU  123  26.81 +/- 3.41   0.122% *  0.0922% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LEU  123  22.15 +/- 4.44   0.149% *  0.0586% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1586 (0.86, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 202.2:
    * O T QD1   LEU  123 - HB2   LEU  123   2.76 +/- 0.30  94.043% * 99.6081% (1.00  10.0 10.00   6.00 202.21) =  99.995%  kept
          QG1   VAL   70 - HB2   LEU  123  14.04 +/- 4.21   1.846% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU  104 - HB2   LEU  123  18.46 +/- 7.37   1.023% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HB2   LEU  123  17.39 +/- 4.03   0.767% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB2   LEU  123  13.51 +/- 3.26   1.824% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HB2   LEU  123  17.94 +/- 3.50   0.497% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.04 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1587 (0.82, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 5.01, residual support = 201.5:
    * O T QD2   LEU  123 - HB2   LEU  123   2.93 +/- 0.23  94.742% * 92.5768% (1.00  10.0 10.00   5.02 202.21) =  99.636%  kept
        T HG3   LYS+ 121 - HB2   LEU  123   8.49 +/- 0.63   4.330% *  7.4049% (0.49   1.0 10.00   0.33   2.32) =   0.364%  kept
          HB3   LEU  104 - HB2   LEU  123  18.46 +/- 7.37   0.928% *  0.0183% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1594 (4.38, 1.85, 26.16 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 5.41, residual support = 202.2:
    * O T HA    LEU  123 - HG    LEU  123   3.59 +/- 0.45  86.018% * 99.5102% (0.69  10.0 10.00   5.41 202.21) =  99.990%  kept
          HA    ILE   56 - HG    LEU  123  12.70 +/- 2.32   2.926% *  0.0975% (0.67   1.0  1.00   0.02   0.02) =   0.003%
          HA    ASP- 113 - HG    LEU  123  11.41 +/- 1.51   3.705% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HA    PRO   58 - HG    LEU  123  12.66 +/- 2.47   4.060% *  0.0373% (0.26   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HG    LEU  123  21.99 +/- 5.61   0.711% *  0.0863% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG    LEU  123  20.06 +/- 4.68   1.004% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HG    LEU  123  26.28 +/- 4.47   0.339% *  0.0960% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG    LEU  123  24.88 +/- 5.46   0.803% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG    LEU  123  29.09 +/- 6.01   0.432% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1595 (1.68, 1.85, 26.16 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 5.44, residual support = 202.2:
    * O T HB2   LEU  123 - HG    LEU  123   2.35 +/- 0.22  92.195% * 96.6014% (0.69  10.0 10.00   5.44 202.21) =  99.981%  kept
        T HG3   PRO   93 - HG    LEU  123  18.40 +/- 3.93   0.985% *  0.9639% (0.69   1.0 10.00   0.02   0.02) =   0.011%
        T HD2   LYS+ 111 - HG    LEU  123  17.46 +/- 1.94   0.259% *  0.8664% (0.62   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  65 - HG    LEU  123  14.56 +/- 2.84   0.581% *  0.3295% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG    LEU  123  23.50 +/- 3.90   0.121% *  0.8917% (0.63   1.0 10.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HG    LEU  123  20.47 +/- 4.11   1.317% *  0.0774% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HG    LEU  123   7.42 +/- 0.77   3.190% *  0.0298% (0.21   1.0  1.00   0.02   2.32) =   0.001%
          HB2   LEU   73 - HG    LEU  123  20.43 +/- 4.54   0.348% *  0.0625% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG    LEU  123  19.12 +/- 6.27   0.393% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG    LEU  123  17.77 +/- 3.48   0.295% *  0.0433% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG    LEU  123  23.14 +/- 5.15   0.208% *  0.0547% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG    LEU  123  26.89 +/- 3.41   0.107% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1596 (1.63, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.13, residual support = 202.2:
    * O T HB3   LEU  123 - HG    LEU  123   2.71 +/- 0.16  95.804% * 97.8109% (0.69  10.0 10.00   5.13 202.21) =  99.990%  kept
        T HD3   LYS+ 111 - HG    LEU  123  18.03 +/- 2.06   0.397% *  0.8772% (0.62   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   57 - HG    LEU  123  12.12 +/- 2.61   2.374% *  0.0848% (0.60   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - HG    LEU  123  23.69 +/- 4.24   0.201% *  0.9781% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   ARG+  54 - HG    LEU  123  18.21 +/- 3.77   0.805% *  0.1936% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          HD2   LYS+  74 - HG    LEU  123  18.87 +/- 3.82   0.420% *  0.0554% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1597 (1.85, 1.85, 26.16 ppm):
    1 diagonal assignment:
    *     HG    LEU  123 - HG    LEU  123  (0.47)  kept
 
    Peak 1598 (0.86, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.59, residual support = 202.2:
    * O T QD1   LEU  123 - HG    LEU  123   2.12 +/- 0.01  96.548% * 99.6081% (0.69  10.0 10.00   5.59 202.21) =  99.998%  kept
          QG1   VAL   70 - HG    LEU  123  13.51 +/- 3.73   0.836% *  0.0919% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HG    LEU  123  16.67 +/- 3.98   0.750% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HG    LEU  123  12.49 +/- 3.11   1.223% *  0.0340% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HG    LEU  123  18.60 +/- 6.95   0.396% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU  123  17.48 +/- 3.18   0.247% *  0.0996% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1599 (0.82, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.59, residual support = 202.2:
    * O T QD2   LEU  123 - HG    LEU  123   2.11 +/- 0.02  98.314% * 99.9316% (0.69  10.0 10.00   4.59 202.21) =  99.999%  kept
          HG3   LYS+ 121 - HG    LEU  123   9.38 +/- 0.93   1.283% *  0.0486% (0.33   1.0  1.00   0.02   2.32) =   0.001%
          HB3   LEU  104 - HG    LEU  123  18.60 +/- 6.95   0.403% *  0.0198% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1600 (4.38, 0.86, 26.01 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.01, residual support = 202.2:
    *   T HA    LEU  123 - QD1   LEU  123   2.24 +/- 0.54  87.701% * 99.5102% (1.00 10.00   6.01 202.21) =  99.991%  kept
          HA    ILE   56 - QD1   LEU  123  10.17 +/- 2.13   4.231% *  0.0975% (0.98  1.00   0.02   0.02) =   0.005%
          HA    PRO   58 - QD1   LEU  123   9.74 +/- 2.03   4.032% *  0.0373% (0.38  1.00   0.02   0.02) =   0.002%
          HA    ASP- 113 - QD1   LEU  123  10.11 +/- 1.24   2.286% *  0.0524% (0.53  1.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - QD1   LEU  123  17.60 +/- 4.97   0.407% *  0.0863% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD1   LEU  123  15.81 +/- 4.24   0.527% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD1   LEU  123  20.97 +/- 3.93   0.220% *  0.0960% (0.97  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD1   LEU  123  19.70 +/- 4.50   0.378% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU  123  23.19 +/- 4.80   0.217% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1601 (1.68, 0.86, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.995, support = 5.98, residual support = 200.9:
    * O T HB2   LEU  123 - QD1   LEU  123   2.76 +/- 0.30  79.153% * 94.4757% (1.00  10.0 10.00   6.00 202.21) =  99.321%  kept
          HB2   LYS+ 121 - QD1   LEU  123   5.61 +/- 0.18  10.272% *  4.9155% (0.31   1.0  1.00   3.37   2.32) =   0.671%  kept
          HG3   PRO   93 - QD1   LEU  123  15.17 +/- 3.59   1.418% *  0.0943% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   MET   92 - QD1   LEU  123  16.85 +/- 3.64   1.396% *  0.0757% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - QD1   LEU  123  11.23 +/- 2.19   2.285% *  0.0322% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD1   LEU  123  15.35 +/- 5.47   1.704% *  0.0388% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - QD1   LEU  123  16.11 +/- 3.66   1.002% *  0.0611% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD1   LEU  123  15.00 +/- 1.25   0.572% *  0.0847% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD1   LEU  123  14.59 +/- 3.08   0.943% *  0.0424% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - QD1   LEU  123  18.56 +/- 4.41   0.691% *  0.0535% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  123  19.20 +/- 3.39   0.374% *  0.0872% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD1   LEU  123  21.78 +/- 2.78   0.189% *  0.0388% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1602 (1.63, 0.86, 26.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.7, residual support = 202.2:
    * O T HB3   LEU  123 - QD1   LEU  123   3.02 +/- 0.21  88.161% * 99.6484% (1.00  10.0 10.00   5.70 202.21) =  99.990%  kept
          QB    ALA   57 - QD1   LEU  123   9.62 +/- 2.22   7.379% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.007%
          HD2   LYS+  74 - QD1   LEU  123  14.72 +/- 3.36   1.487% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - QD1   LEU  123  15.53 +/- 1.32   0.734% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - QD1   LEU  123  18.80 +/- 3.72   0.617% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG3   ARG+  54 - QD1   LEU  123  14.82 +/- 3.21   1.622% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.27 A, kept.
 
    Peak 1603 (1.85, 0.86, 26.01 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.59, residual support = 202.2:
    * O T HG    LEU  123 - QD1   LEU  123   2.12 +/- 0.01  84.262% * 98.8924% (0.69  10.0 10.00   5.59 202.21) =  99.988%  kept
          HG3   PRO   68 - QD1   LEU  123  12.78 +/- 5.38   3.479% *  0.1329% (0.92   1.0  1.00   0.02   0.02) =   0.006%
          QB    LYS+  66 - QD1   LEU  123   9.17 +/- 3.29   6.220% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - QD1   LEU  123  13.13 +/- 5.46   0.835% *  0.1203% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - QD1   LEU  123  10.14 +/- 2.61   2.792% *  0.0252% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QD1   LEU  123  14.41 +/- 2.98   0.488% *  0.1249% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - QD1   LEU  123  15.12 +/- 3.36   0.464% *  0.0989% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QD1   LEU  123  14.10 +/- 3.13   0.411% *  0.0757% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD1   LEU  123  18.24 +/- 3.88   0.192% *  0.1291% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   LEU  123  19.31 +/- 3.18   0.145% *  0.1045% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   LEU  123  20.36 +/- 2.88   0.149% *  0.0815% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU  123  17.75 +/- 3.66   0.196% *  0.0592% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD1   LEU  123  16.33 +/- 3.14   0.258% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   LEU  123  21.23 +/- 2.93   0.110% *  0.0931% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1604 (0.86, 0.86, 26.01 ppm):
    1 diagonal assignment:
    *     QD1   LEU  123 - QD1   LEU  123  (1.00)  kept
 
    Peak 1605 (0.82, 0.86, 26.01 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.03, residual support = 202.2:
    * O T QD2   LEU  123 - QD1   LEU  123   2.06 +/- 0.06  96.946% * 99.7540% (1.00  10.0 10.00   5.03 202.21) =  99.997%  kept
        T HB3   LEU  104 - QD1   LEU  123  15.06 +/- 6.00   0.738% *  0.1974% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - QD1   LEU  123   7.33 +/- 0.44   2.316% *  0.0486% (0.49   1.0  1.00   0.02   2.32) =   0.001%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1606 (4.38, 0.82, 23.66 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.91, residual support = 202.2:
    *   T HA    LEU  123 - QD2   LEU  123   2.96 +/- 0.40  85.823% * 99.5102% (1.00 10.00   4.91 202.21) =  99.990%  kept
          HA    ILE   56 - QD2   LEU  123  10.91 +/- 2.37   4.309% *  0.0975% (0.98  1.00   0.02   0.02) =   0.005%
          HA    ASP- 113 - QD2   LEU  123  10.27 +/- 1.49   3.347% *  0.0524% (0.53  1.00   0.02   0.02) =   0.002%
          HA    PRO   58 - QD2   LEU  123  10.77 +/- 2.46   4.184% *  0.0373% (0.38  1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - QD2   LEU  123  19.48 +/- 4.84   0.599% *  0.0863% (0.87  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QD2   LEU  123  17.60 +/- 4.02   0.787% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD2   LEU  123  22.69 +/- 3.97   0.290% *  0.0960% (0.97  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU  123  21.14 +/- 4.85   0.404% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU  123  24.42 +/- 5.26   0.256% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1607 (1.68, 0.82, 23.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.02, residual support = 202.2:
    * O T HB2   LEU  123 - QD2   LEU  123   2.93 +/- 0.23  83.487% * 99.0560% (1.00  10.0 10.00   5.02 202.21) =  99.973%  kept
        T HB2   LYS+ 121 - QD2   LEU  123   7.68 +/- 0.59   4.769% *  0.3057% (0.31   1.0 10.00   0.02   2.32) =   0.018%
          HB3   MET   92 - QD2   LEU  123  17.80 +/- 3.87   3.386% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HG3   PRO   93 - QD2   LEU  123  16.06 +/- 3.66   2.279% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          QD    LYS+  65 - QD2   LEU  123  12.13 +/- 2.61   1.858% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD2   LEU  123  15.48 +/- 1.82   0.676% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - QD2   LEU  123  17.69 +/- 3.84   0.773% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - QD2   LEU  123  19.97 +/- 4.34   0.699% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD2   LEU  123  16.97 +/- 5.35   0.881% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU  123  15.96 +/- 3.06   0.690% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU  123  20.75 +/- 3.29   0.278% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU  123  23.21 +/- 3.14   0.225% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1608 (1.63, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.59, residual support = 202.2:
    * O T HB3   LEU  123 - QD2   LEU  123   2.16 +/- 0.25  95.945% * 99.6484% (1.00  10.0 10.00   4.59 202.21) =  99.997%  kept
          QB    ALA   57 - QD2   LEU  123  10.31 +/- 2.57   2.420% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 111 - QD2   LEU  123  15.95 +/- 1.87   0.300% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QD2   LEU  123  20.31 +/- 3.84   0.210% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD2   LEU  123  16.26 +/- 3.04   0.334% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD2   LEU  123  15.27 +/- 3.49   0.790% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1609 (1.85, 0.82, 23.66 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.59, residual support = 202.2:
    * O T HG    LEU  123 - QD2   LEU  123   2.11 +/- 0.02  90.809% * 98.6685% (0.69  10.0 10.00   4.59 202.21) =  99.988%  kept
        T HB    ILE   56 - QD2   LEU  123  11.04 +/- 2.57   1.870% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.005%
          HG3   PRO   68 - QD2   LEU  123  13.95 +/- 5.41   2.066% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HG2   ARG+  54 - QD2   LEU  123  14.91 +/- 3.21   0.553% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD2   LEU  123  14.88 +/- 5.27   0.542% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - QD2   LEU  123  15.58 +/- 3.78   0.595% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QD2   LEU  123  10.24 +/- 3.34   2.317% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QD2   LEU  123  15.44 +/- 3.02   0.310% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD2   LEU  123  19.95 +/- 3.66   0.143% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD2   LEU  123  21.39 +/- 3.38   0.206% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD2   LEU  123  20.85 +/- 3.37   0.123% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD2   LEU  123  22.35 +/- 3.23   0.124% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  123  19.51 +/- 3.48   0.150% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD2   LEU  123  18.17 +/- 3.06   0.191% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1610 (0.86, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.03, residual support = 202.2:
    * O T QD1   LEU  123 - QD2   LEU  123   2.06 +/- 0.06  94.887% * 99.6081% (1.00  10.0 10.00   5.03 202.21) =  99.997%  kept
          QG1   VAL   70 - QD2   LEU  123  11.70 +/- 3.35   1.148% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QD2   LEU  123  10.98 +/- 2.95   2.596% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD2   LEU  123  14.39 +/- 3.11   0.645% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QD2   LEU  123  14.90 +/- 2.85   0.333% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU  123  16.84 +/- 5.80   0.391% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1611 (0.82, 0.82, 23.66 ppm):
    1 diagonal assignment:
    *     QD2   LEU  123 - QD2   LEU  123  (1.00)  kept
 
    Peak 1612 (4.11, 4.11, 54.16 ppm):
    2 diagonal assignments:
    *     HA    ALA  124 - HA    ALA  124  (1.00)  kept
          HA    ALA   34 - HA    ALA   34  (0.04)  kept
 
    Peak 1614 (1.35, 4.11, 54.16 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 9.16:
    * O T QB    ALA  124 - HA    ALA  124   2.13 +/- 0.02  88.027% * 97.4620% (1.00  10.0 10.00   1.00   9.16) =  99.995%  kept
        T HB2   LEU   31 - HA    ALA   34   7.48 +/- 0.36   2.087% *  0.0730% (0.07   1.0 10.00   0.02   9.89) =   0.002%
        T QB    ALA   84 - HA    ALA   34  17.86 +/- 3.84   0.611% *  0.1042% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T QB    ALA   84 - HA    ALA  124  25.26 +/- 3.00   0.065% *  0.8997% (0.92   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LEU   31 - HA    ALA  124  27.81 +/- 5.12   0.055% *  0.6305% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ALA   34  22.08 +/- 5.22   0.208% *  0.1128% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA  124  17.03 +/- 3.17   0.240% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA  124  21.78 +/- 3.10   0.102% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA  124  22.52 +/- 3.35   0.108% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA  124  24.70 +/- 5.77   0.085% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   34   6.74 +/- 0.68   3.086% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   34  13.74 +/- 4.73   0.585% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA  124  23.65 +/- 8.62   0.180% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA  124  26.45 +/- 7.72   0.244% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   34  16.11 +/- 2.10   0.458% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA  124  22.69 +/- 1.80   0.078% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA  124  30.49 +/- 4.20   0.044% *  0.0780% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA  124  22.68 +/- 5.00   0.103% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   34  15.86 +/- 2.34   0.321% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   34  19.39 +/- 5.29   0.344% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   34  13.40 +/- 6.53   0.892% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA  124  19.45 +/- 1.57   0.126% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   34  11.22 +/- 2.54   1.192% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA  124  23.90 +/- 4.25   0.112% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA  124  28.04 +/- 7.16   0.061% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   34  22.55 +/- 3.35   0.116% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   34  18.43 +/- 2.72   0.158% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   34  18.37 +/- 6.12   0.218% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   34  28.32 +/- 2.84   0.043% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   34  27.21 +/- 3.28   0.051% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1629 (1.35, 1.35, 20.20 ppm):
    1 diagonal assignment:
    *     QB    ALA  124 - QB    ALA  124  (1.00)  kept
 
    Peak 1630 (4.11, 1.35, 20.20 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 9.16:
    * O T HA    ALA  124 - QB    ALA  124   2.13 +/- 0.02  98.742% * 98.8388% (1.00  10.0 10.00   1.00   9.16) =  99.998%  kept
        T HA    ALA   34 - QB    ALA  124  22.08 +/- 5.22   0.233% *  0.3371% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ASN   28 - QB    ALA  124  24.15 +/- 4.57   0.103% *  0.5200% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HA    ARG+  54 - QB    ALA  124  18.71 +/- 3.06   0.213% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA  124  14.44 +/- 0.84   0.329% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA  124  24.82 +/- 6.14   0.203% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA  124  26.49 +/- 3.44   0.069% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA  124  23.84 +/- 5.55   0.108% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1633 (1.63, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.54, residual support = 202.2:
    * O T HB3   LEU  123 - HB2   LEU  123   1.75 +/- 0.00  99.203% * 97.4949% (1.00  10.0 10.00   5.54 202.21) =  99.997%  kept
        T HD2   LYS+  74 - HB2   LEU  123  19.88 +/- 4.04   0.153% *  0.5520% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HB2   LEU  123  18.84 +/- 1.91   0.090% *  0.8744% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HB2   LEU  123  24.01 +/- 4.75   0.066% *  0.9749% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HB2   LEU  123  13.50 +/- 2.43   0.366% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   LEU  123  19.96 +/- 3.74   0.122% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1634 (1.63, 1.63, 43.16 ppm):
    1 diagonal assignment:
    *     HB3   LEU  123 - HB3   LEU  123  (1.00)  kept
 
    Peak 1635 (1.68, 1.63, 43.16 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.54, residual support = 202.2:
      O T HB2   LEU  123 - HB3   LEU  123   1.75 +/- 0.00  97.832% * 96.4170% (0.99  10.0 10.00   5.54 202.21) =  99.996%  kept
        T QD    LYS+  38 - HB3   LEU  123  23.72 +/- 5.81   0.127% *  0.6293% (0.65   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HB3   LEU  123  15.95 +/- 3.07   0.193% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HB3   LEU  123  19.37 +/- 1.90   0.081% *  0.8125% (0.84   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HB3   LEU  123  24.52 +/- 4.30   0.046% *  0.9388% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB3   LEU  123   8.44 +/- 0.22   0.882% *  0.0365% (0.38   1.0  1.00   0.02   2.32) =   0.000%
          HG3   PRO   93 - HB3   LEU  123  20.56 +/- 4.25   0.214% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU  123  22.69 +/- 4.40   0.212% *  0.0706% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HB3   LEU  123  28.81 +/- 3.65   0.029% *  0.4735% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB3   LEU  123  22.14 +/- 4.66   0.122% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU  123  19.87 +/- 6.85   0.164% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU  123  19.34 +/- 3.50   0.097% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1636 (0.86, 1.63, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.7, residual support = 202.2:
    * O T QD1   LEU  123 - HB3   LEU  123   3.02 +/- 0.21  93.183% * 99.6081% (1.00  10.0 10.00   5.70 202.21) =  99.995%  kept
          QG1   VAL   70 - HB3   LEU  123  14.58 +/- 4.24   2.178% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - HB3   LEU  123  17.96 +/- 4.09   1.373% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HB3   LEU  123  18.37 +/- 3.70   0.670% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB3   LEU  123  14.23 +/- 3.39   1.881% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB3   LEU  123  19.75 +/- 7.35   0.714% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.07 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1637 (0.82, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.59, residual support = 202.2:
    * O T QD2   LEU  123 - HB3   LEU  123   2.16 +/- 0.25  98.549% * 99.9316% (1.00  10.0 10.00   4.59 202.21) =  99.999%  kept
          HG3   LYS+ 121 - HB3   LEU  123   9.91 +/- 0.45   1.112% *  0.0486% (0.49   1.0  1.00   0.02   2.32) =   0.001%
          HB3   LEU  104 - HB3   LEU  123  19.75 +/- 7.35   0.338% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1638 (1.85, 1.63, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.13, residual support = 202.1:
    * O T HG    LEU  123 - HB3   LEU  123   2.71 +/- 0.16  92.040% * 95.7694% (0.69  10.0 10.00   5.13 202.21) =  99.965%  kept
        T HG3   PRO   68 - HB3   LEU  123  17.49 +/- 6.82   1.699% *  1.2870% (0.92   1.0 10.00   0.02   0.02) =   0.025%
        T HG2   ARG+  54 - HB3   LEU  123  19.90 +/- 3.65   0.380% *  1.2094% (0.87   1.0 10.00   0.02   0.02) =   0.005%
        T QB    LYS+  33 - HB3   LEU  123  25.19 +/- 4.32   0.157% *  1.0124% (0.73   1.0 10.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HB3   LEU  123  17.67 +/- 6.59   0.756% *  0.1165% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB3   LEU  123  13.38 +/- 4.10   2.303% *  0.0215% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - HB3   LEU  123  20.43 +/- 4.35   0.371% *  0.0958% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   LEU  123  18.69 +/- 3.63   0.395% *  0.0734% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   LEU  123  23.78 +/- 4.70   0.199% *  0.1250% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   LEU  123  15.05 +/- 2.89   0.993% *  0.0244% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   LEU  123  26.81 +/- 4.00   0.164% *  0.0789% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   LEU  123  23.44 +/- 4.39   0.199% *  0.0573% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   LEU  123  27.86 +/- 3.61   0.114% *  0.0902% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   LEU  123  22.07 +/- 4.00   0.231% *  0.0388% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1639 (4.38, 1.63, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.54, residual support = 202.2:
    * O T HA    LEU  123 - HB3   LEU  123   2.52 +/- 0.11  96.702% * 99.5102% (1.00  10.0 10.00   5.54 202.21) =  99.998%  kept
          HA    ILE   56 - HB3   LEU  123  15.06 +/- 2.47   0.661% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HB3   LEU  123  13.24 +/- 1.58   0.808% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  123  14.79 +/- 2.57   0.687% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   LEU  123  21.20 +/- 5.24   0.398% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  123  23.12 +/- 6.11   0.210% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   LEU  123  27.17 +/- 5.16   0.147% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LEU  123  25.78 +/- 6.12   0.231% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  123  29.73 +/- 6.90   0.157% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1657 (1.50, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 0.97, support = 5.68, residual support = 313.1:
    * O   HD2   LYS+ 121 - HD3   LYS+ 121   1.75 +/- 0.00  84.344% * 76.1572% (1.00  10.0   5.62 313.10) =  95.713%  kept
      O   HB3   LYS+ 121 - HD3   LYS+ 121   3.69 +/- 0.46  12.235% * 23.5057% (0.31  10.0   7.01 313.10) =   4.285%  kept
          HG    LEU  104 - HD3   LYS+ 121  14.44 +/- 9.09   1.674% *  0.0235% (0.31   1.0   0.02   0.02) =   0.001%
          QD    LYS+  66 - HD3   LYS+ 121  15.21 +/- 3.99   0.321% *  0.0610% (0.80   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 121  19.53 +/- 4.62   0.166% *  0.0735% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD3   LYS+ 121  17.60 +/- 4.37   0.203% *  0.0582% (0.76   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD3   LYS+ 121  17.62 +/- 2.68   0.112% *  0.0755% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 121  16.11 +/- 7.06   0.560% *  0.0133% (0.18   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD3   LYS+ 121  17.71 +/- 4.84   0.241% *  0.0151% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HD3   LYS+ 121  16.60 +/- 2.83   0.144% *  0.0170% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1658 (1.41, 1.41, 29.95 ppm):
    1 diagonal assignment:
    *     HD3   LYS+ 121 - HD3   LYS+ 121  (1.00)  kept
 
    Peak 1659 (1.15, 1.41, 29.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 313.1:
    * O   HG2   LYS+ 121 - HD3   LYS+ 121   2.72 +/- 0.29  86.981% * 99.7211% (1.00  10.0   6.28 313.10) =  99.990%  kept
          QB    ALA   20 - HD3   LYS+ 121  16.56 +/- 5.16   5.776% *  0.0799% (0.80   1.0   0.02   0.02) =   0.005%
          QG2   VAL  107 - HD3   LYS+ 121  11.38 +/- 5.10   3.179% *  0.0921% (0.92   1.0   0.02   0.02) =   0.003%
          HG13  ILE  119 - HD3   LYS+ 121   9.05 +/- 0.77   2.739% *  0.0308% (0.31   1.0   0.02   8.33) =   0.001%
          HG13  ILE  103 - HD3   LYS+ 121  17.08 +/- 6.99   0.909% *  0.0485% (0.49   1.0   0.02   0.02) =   0.001%
          HB3   LEU   31 - HD3   LYS+ 121  20.93 +/- 5.59   0.416% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1660 (0.80, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 313.1:
    * O T HG3   LYS+ 121 - HD3   LYS+ 121   2.49 +/- 0.29  94.065% * 98.9917% (1.00  10.0 10.00   5.98 313.10) =  99.987%  kept
        T QD1   ILE   56 - HD3   LYS+ 121  11.48 +/- 1.31   1.196% *  0.6004% (0.61   1.0 10.00   0.02   0.02) =   0.008%
        T QD2   LEU   73 - HD3   LYS+ 121  14.77 +/- 3.78   0.907% *  0.3377% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU  123 - HD3   LYS+ 121   9.37 +/- 1.06   3.487% *  0.0482% (0.49   1.0  1.00   0.02   2.32) =   0.002%
          HG    LEU   31 - HD3   LYS+ 121  20.69 +/- 5.04   0.345% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1661 (1.66, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.12, residual support = 313.1:
    * O   HB2   LYS+ 121 - HD3   LYS+ 121   3.27 +/- 0.27  86.328% * 99.2313% (1.00  10.0  1.00   7.12 313.10) =  99.990%  kept
        T HD3   LYS+ 111 - HD3   LYS+ 121  18.70 +/- 2.74   0.752% *  0.2759% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU  123 - HD3   LYS+ 121   8.90 +/- 0.65   5.042% *  0.0306% (0.31   1.0  1.00   0.02   2.32) =   0.002%
          QD    LYS+  65 - HD3   LYS+ 121  16.00 +/- 3.08   1.349% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  38 - HD3   LYS+ 121  19.73 +/- 6.52   1.407% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HD3   LYS+ 121  17.62 +/- 4.26   1.051% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HD3   LYS+ 121  13.53 +/- 2.42   2.046% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HD3   LYS+ 121  18.48 +/- 6.50   1.169% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HD3   LYS+ 121  24.37 +/- 3.31   0.268% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+ 121  18.78 +/- 3.11   0.588% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1662 (2.75, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 5.75, residual support = 308.7:
    * O   QE    LYS+ 121 - HD3   LYS+ 121   2.47 +/- 0.10  91.133% * 83.8416% (1.00  10.0   5.77 313.10) =  98.292%  kept
          HB3   HIS  122 - HD3   LYS+ 121   6.58 +/- 1.28   8.269% * 16.0503% (0.84   1.0   4.58  54.95) =   1.707%  kept
          HG2   GLN   30 - HD3   LYS+ 121  21.88 +/- 4.90   0.241% *  0.0576% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+ 121  24.54 +/- 5.84   0.162% *  0.0376% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+ 121  24.19 +/- 4.32   0.195% *  0.0129% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1663 (3.94, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 0.995, support = 6.6, residual support = 306.4:
    *   T HA    LYS+ 121 - HD3   LYS+ 121   4.42 +/- 0.65  58.189% * 88.0937% (1.00 10.00   6.68 313.10) =  97.826%  kept
          HA    ALA  120 - HD3   LYS+ 121   8.04 +/- 0.64   9.970% * 11.1774% (0.76  1.00   3.32   2.95) =   2.127%  kept
          QB    SER  117 - HD3   LYS+ 121   8.56 +/- 2.17  18.874% *  0.0736% (0.84  1.00   0.02   0.02) =   0.027%
        T HA    LYS+  65 - HD3   LYS+ 121  17.49 +/- 2.95   1.511% *  0.3005% (0.34 10.00   0.02   0.02) =   0.009%
          HA2   GLY   51 - HD3   LYS+ 121  22.22 +/- 4.87   2.308% *  0.0873% (0.99  1.00   0.02   0.02) =   0.004%
          QB    SER   48 - HD3   LYS+ 121  21.92 +/- 4.65   2.296% *  0.0833% (0.95  1.00   0.02   0.02) =   0.004%
          HB    THR   94 - HD3   LYS+ 121  17.65 +/- 3.12   1.377% *  0.0873% (0.99  1.00   0.02   0.02) =   0.002%
          HA    PHE   60 - HD3   LYS+ 121  12.25 +/- 2.22   4.161% *  0.0245% (0.28  1.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - HD3   LYS+ 121  21.84 +/- 5.07   0.861% *  0.0362% (0.41  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HD3   LYS+ 121  24.81 +/- 3.42   0.453% *  0.0362% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1665 (1.50, 1.52, 32.89 ppm):
    1 diagonal assignment:
          HB3   LYS+ 121 - HB3   LYS+ 121  (0.26)  kept
    Reference assignment not found: HD2   LYS+ 121 - HB3   LYS+ 121
 
    Peak 1666 (1.52, 1.52, 32.89 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 121 - HB3   LYS+ 121  (0.70)  kept
 
    Peak 1667 (1.15, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 7.67, residual support = 313.1:
    * O T HG2   LYS+ 121 - HB3   LYS+ 121   2.77 +/- 0.16  88.976% * 99.7211% (0.84  10.0 10.00   7.67 313.10) =  99.992%  kept
          QG2   VAL  107 - HB3   LYS+ 121  10.71 +/- 4.62   3.724% *  0.0921% (0.77   1.0  1.00   0.02   0.02) =   0.004%
          QB    ALA   20 - HB3   LYS+ 121  16.86 +/- 4.81   1.820% *  0.0799% (0.67   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  119 - HB3   LYS+ 121   7.80 +/- 0.56   4.347% *  0.0308% (0.26   1.0  1.00   0.02   8.33) =   0.002%
          HG13  ILE  103 - HB3   LYS+ 121  17.09 +/- 6.25   0.835% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB3   LYS+ 121  21.57 +/- 4.88   0.298% *  0.0277% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1668 (0.80, 1.52, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 7.0, residual support = 313.1:
    * O T HG3   LYS+ 121 - HB3   LYS+ 121   2.39 +/- 0.21  95.217% * 99.5295% (0.84  10.0 10.00   7.00 313.10) =  99.995%  kept
        T QD2   LEU   73 - HB3   LYS+ 121  15.00 +/- 3.62   0.794% *  0.3395% (0.28   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU  123 - HB3   LYS+ 121   8.18 +/- 0.44   2.656% *  0.0484% (0.41   1.0  1.00   0.02   2.32) =   0.001%
          QD1   ILE   56 - HB3   LYS+ 121  11.15 +/- 1.04   1.135% *  0.0604% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB3   LYS+ 121  21.27 +/- 4.38   0.198% *  0.0222% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1669 (1.66, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 8.72, residual support = 313.1:
    * O T HB2   LYS+ 121 - HB3   LYS+ 121   1.75 +/- 0.00  96.547% * 97.1314% (0.84  10.0 10.00   8.72 313.10) =  99.991%  kept
        T QD    LYS+  65 - HB3   LYS+ 121  16.02 +/- 2.98   0.506% *  0.9692% (0.83   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+  38 - HB3   LYS+ 121  20.39 +/- 6.10   0.179% *  0.8711% (0.75   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HB3   LYS+ 121  18.75 +/- 5.96   0.160% *  0.5110% (0.44   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HB3   LYS+ 121   7.24 +/- 0.60   1.434% *  0.0300% (0.26   1.0  1.00   0.02   2.32) =   0.000%
          HD2   LYS+  74 - HB3   LYS+ 121  17.85 +/- 4.62   0.581% *  0.0589% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB3   LYS+ 121  17.37 +/- 1.70   0.110% *  0.2701% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB3   LYS+ 121  13.30 +/- 1.84   0.301% *  0.0300% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+ 121  24.28 +/- 3.28   0.049% *  0.0952% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+ 121  17.68 +/- 2.98   0.133% *  0.0331% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1670 (2.75, 1.52, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.807, support = 6.68, residual support = 261.0:
    *     QE    LYS+ 121 - HB3   LYS+ 121   4.04 +/- 0.34  71.063% * 59.1325% (0.84  1.00   6.96 313.10) =  79.825%  kept
          HB3   HIS  122 - HB3   LYS+ 121   6.09 +/- 0.94  26.800% * 39.5981% (0.70  1.00   5.58  54.95) =  20.160%  kept
        T HG2   GLN   30 - HB3   LYS+ 121  22.50 +/- 4.65   0.660% *  1.1670% (0.57 10.00   0.02   0.02) =   0.015%
          HB3   ASN   28 - HB3   LYS+ 121  25.10 +/- 5.16   0.430% *  0.0762% (0.37  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HB3   LYS+ 121  24.20 +/- 4.19   1.047% *  0.0262% (0.13  1.00   0.02   0.02) =   0.001%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1671 (3.94, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.832, support = 8.16, residual support = 308.7:
    * O T HA    LYS+ 121 - HB3   LYS+ 121   2.53 +/- 0.23  84.714% * 84.1947% (0.84  10.0 10.00   8.21 313.10) =  98.580%  kept
          HA    ALA  120 - HB3   LYS+ 121   6.02 +/- 0.23   6.758% * 15.1086% (0.64   1.0  1.00   4.70   2.95) =   1.411%  kept
          QB    SER  117 - HB3   LYS+ 121   6.98 +/- 0.78   5.223% *  0.0703% (0.70   1.0  1.00   0.02   0.02) =   0.005%
        T HA    LYS+  65 - HB3   LYS+ 121  17.47 +/- 2.99   0.469% *  0.2872% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          QB    SER   48 - HB3   LYS+ 121  21.81 +/- 4.38   0.588% *  0.0796% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HB3   LYS+ 121  17.09 +/- 2.59   0.388% *  0.0834% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB3   LYS+ 121  12.04 +/- 2.31   1.217% *  0.0234% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LYS+ 121  22.03 +/- 3.95   0.251% *  0.0834% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LYS+ 121  22.27 +/- 5.59   0.275% *  0.0346% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LYS+ 121  24.55 +/- 3.12   0.118% *  0.0346% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1672 (1.52, 1.66, 32.89 ppm):
    9 chemical-shift based assignments, quality = 0.779, support = 8.61, residual support = 313.1:
    * O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  63.567% * 55.3563% (0.84  10.0 10.00   8.72 313.10) =  70.257%  kept
      O T HD2   LYS+ 121 - HB2   LYS+ 121   2.33 +/- 0.60  34.737% * 42.8727% (0.65  10.0 10.00   8.34 313.10) =  29.734%  kept
        T HD3   LYS+  74 - HB2   LYS+ 121  17.31 +/- 4.71   0.408% *  0.4552% (0.69   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  66 - HB2   LYS+ 121  14.48 +/- 3.95   0.244% *  0.6396% (0.97   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  65 - HB2   LYS+ 121  16.82 +/- 2.17   0.095% *  0.3752% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HB2   LYS+ 121  14.89 +/- 8.12   0.571% *  0.0554% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+  74 - HB2   LYS+ 121  17.31 +/- 4.11   0.168% *  0.1653% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HB2   LYS+ 121  14.84 +/- 1.90   0.131% *  0.0481% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  19.73 +/- 4.06   0.079% *  0.0323% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1674 (1.52, 3.94, 58.66 ppm):
    18 chemical-shift based assignments, quality = 0.77, support = 8.03, residual support = 307.9:
    * O T HB3   LYS+ 121 - HA    LYS+ 121   2.53 +/- 0.23  40.878% * 52.0655% (0.84  10.0 10.00   8.21 313.10) =  74.875%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.94 +/- 0.50  15.665% * 40.3240% (0.65   1.0 10.00   7.76 313.10) =  22.223%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   3.09 +/- 0.75  29.645% *  2.2150% (0.04  10.0 10.00   5.39 159.74) =   2.310%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.06 +/- 0.72   4.221% *  3.7757% (0.06   1.0 10.00   5.56  30.70) =   0.561%  kept
        T HD3   LYS+  74 - HA    LYS+ 121  19.39 +/- 5.08   0.910% *  0.4282% (0.69   1.0 10.00   0.02   0.02) =   0.014%
        T QD    LYS+  66 - HA    LYS+ 121  15.52 +/- 4.51   0.518% *  0.6016% (0.97   1.0 10.00   0.02   0.02) =   0.011%
        T HD3   LYS+  74 - HA    LYS+  65   9.51 +/- 3.96   2.505% *  0.0269% (0.04   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  65 - HA    LYS+ 121  18.51 +/- 2.66   0.153% *  0.3529% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU  104 - HA    LYS+ 121  16.39 +/- 8.42   0.642% *  0.0521% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HA    LYS+ 121  16.46 +/- 1.63   0.181% *  0.0453% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  19.35 +/- 4.55   0.444% *  0.0155% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  17.47 +/- 2.99   0.205% *  0.0327% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  16.67 +/- 2.82   0.217% *  0.0253% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  21.16 +/- 4.56   0.154% *  0.0303% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65   9.00 +/- 3.20   3.078% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  13.45 +/- 1.62   0.316% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  19.33 +/- 3.64   0.172% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.60 +/- 2.60   0.095% *  0.0028% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1675 (1.41, 3.94, 58.66 ppm):
    28 chemical-shift based assignments, quality = 0.971, support = 6.64, residual support = 308.5:
    *   T HD3   LYS+ 121 - HA    LYS+ 121   4.42 +/- 0.65  17.925% * 97.6597% (1.00   1.0 10.00   6.68 313.10) =  97.039%  kept
      O T HG3   LYS+  65 - HA    LYS+  65   2.97 +/- 0.60  43.666% *  1.2130% (0.01  10.0 10.00   5.37 159.74) =   2.936%  kept
          HB3   LYS+  74 - HA    LYS+ 121  19.34 +/- 4.80   0.993% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.005%
        T HG3   LYS+  65 - HA    LYS+ 121  18.49 +/- 2.89   0.279% *  0.1933% (0.20   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LYS+  74 - HA    LYS+  65   9.63 +/- 2.99   7.627% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.003%
          QB    LEU   98 - HA    LYS+ 121  16.85 +/- 5.42   0.462% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  33 - HA    LYS+ 121  24.50 +/- 4.80   0.156% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA  110 - HA    LYS+ 121  15.43 +/- 2.08   0.466% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HA    LYS+  65   5.79 +/- 1.37  11.296% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HA    LYS+ 121  14.01 +/- 1.48   0.625% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 121 - HA    LYS+  65  17.49 +/- 2.95   0.280% *  0.0613% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    LYS+ 121  15.80 +/- 4.46   0.814% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - HA    LYS+ 121  21.62 +/- 4.62   0.215% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HA    LYS+ 121  26.14 +/- 3.74   0.115% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    LYS+ 121  25.19 +/- 6.42   0.165% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HA    LYS+ 121  17.47 +/- 5.11   0.389% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 121  27.00 +/- 4.49   0.156% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+  65   6.15 +/- 0.70   5.605% *  0.0012% (0.01   1.0  1.00   0.02   0.37) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.07 +/- 4.17   0.308% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65  11.06 +/- 2.21   3.760% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  17.09 +/- 2.45   0.281% *  0.0153% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  65  12.28 +/- 3.16   0.913% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  65  17.15 +/- 2.89   0.837% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  65  18.15 +/- 3.39   0.445% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  16.84 +/- 2.59   0.435% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  17.77 +/- 3.96   0.311% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  11.10 +/- 1.59   1.187% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  65  18.65 +/- 3.80   0.292% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1676 (2.75, 2.75, 41.87 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 121 - QE    LYS+ 121  (1.00)  kept
 
    Peak 1684 (0.24, 0.24, 20.84 ppm):
    1 diagonal assignment:
    *     QG2   THR  118 - QG2   THR  118  (0.80)  kept
 
    Peak 1685 (3.69, 3.69, 67.42 ppm):
    1 diagonal assignment:
    *     HA    THR  118 - HA    THR  118  (0.80)  kept
 
    Peak 1686 (3.88, 3.88, 68.07 ppm):
    1 diagonal assignment:
    *     HB    THR  118 - HB    THR  118  (1.00)  kept
 
    Peak 1694 (1.98, 1.46, 42.01 ppm):
    16 chemical-shift based assignments, quality = 0.998, support = 6.3, residual support = 222.4:
    * O T HB2   LEU  115 - HB3   LEU  115   1.75 +/- 0.00  90.601% * 92.6102% (1.00  10.0 10.00   6.31 222.88) =  99.738%  kept
          QB    GLU- 114 - HB3   LEU  115   5.39 +/- 0.53   3.509% *  6.1775% (0.31   1.0  1.00   4.32  20.73) =   0.258%  kept
        T HB2   LEU   67 - HB3   LEU  115  16.46 +/- 2.63   0.151% *  0.7416% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   58 - HB3   LEU  115   9.86 +/- 2.32   1.148% *  0.0924% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU   67 - HB3   LEU   40   9.56 +/- 1.62   0.710% *  0.0870% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LEU  115 - HB3   LEU   40  18.58 +/- 2.76   0.100% *  0.1087% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.31 +/- 2.71   0.406% *  0.0257% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  18.12 +/- 4.10   0.134% *  0.0487% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU   40  12.48 +/- 3.72   1.352% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU  115  18.43 +/- 3.32   0.121% *  0.0415% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU   40  11.16 +/- 2.31   0.745% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  12.75 +/- 3.91   0.597% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU  115  21.05 +/- 2.74   0.063% *  0.0348% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   40  20.52 +/- 3.82   0.103% *  0.0108% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  22.63 +/- 6.02   0.157% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   40  18.16 +/- 2.87   0.102% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1695 (1.46, 1.46, 42.01 ppm):
    2 diagonal assignments:
    *     HB3   LEU  115 - HB3   LEU  115  (1.00)  kept
          HB3   LEU   40 - HB3   LEU   40  (0.04)  kept
 
    Peak 1704 (2.43, 2.43, 41.54 ppm):
    2 diagonal assignments:
    *     QE    LYS+ 112 - QE    LYS+ 112  (0.70)  kept
          HB3   ASP-  62 - HB3   ASP-  62  (0.07)  kept
 
    Peak 1709 (1.37, 1.19, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 7.19, residual support = 238.1:
    * O T HB2   LYS+ 112 - HB3   LYS+ 112   1.75 +/- 0.00  86.437% * 98.3538% (1.00  10.0 10.00   7.19 238.14) =  99.991%  kept
          HB3   PRO   93 - HB3   LYS+ 112   9.11 +/- 4.43  12.278% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.007%
        T HB    VAL   42 - HB3   LYS+ 112  17.50 +/- 2.92   0.120% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HB3   LYS+ 112  16.28 +/- 1.95   0.127% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HB3   LYS+ 112  18.14 +/- 2.71   0.105% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB3   LYS+ 112  20.72 +/- 4.22   0.086% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 112  16.58 +/- 3.29   0.146% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 112  14.03 +/- 4.08   0.415% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HB3   LYS+ 112  26.70 +/- 1.62   0.025% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 112  17.51 +/- 1.50   0.094% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB3   LYS+ 112  19.27 +/- 2.06   0.074% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HB3   LYS+ 112  29.19 +/- 3.45   0.022% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 112  21.90 +/- 2.34   0.050% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB3   LYS+ 112  29.97 +/- 3.83   0.022% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1710 (1.19, 1.19, 32.81 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 112 - HB3   LYS+ 112  (1.00)  kept
 
    Peak 1716 (1.20, 1.11, 29.98 ppm):
    6 chemical-shift based assignments, quality = 0.909, support = 4.54, residual support = 237.7:
    * O   HD2   LYS+ 112 - HD3   LYS+ 112   1.75 +/- 0.00  77.454% * 54.1518% (0.95  10.0   4.33 238.14) =  83.771%  kept
      O   HB3   LYS+ 112 - HD3   LYS+ 112   3.12 +/- 0.59  19.389% * 41.3843% (0.72  10.0   5.65 238.14) =  16.026%  kept
          HG3   LYS+ 111 - HD3   LYS+ 112   7.76 +/- 1.84   2.333% *  4.3501% (0.36   1.0   4.28  28.75) =   0.203%  kept
          QG2   THR   94 - HD3   LYS+ 112  11.93 +/- 2.82   0.596% *  0.0434% (0.76   1.0   0.02   0.02) =   0.001%
          HB3   LEU   71 - HD3   LYS+ 112  23.43 +/- 5.24   0.102% *  0.0537% (0.94   1.0   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 112  17.70 +/- 4.01   0.126% *  0.0167% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1717 (1.11, 1.11, 29.98 ppm):
    1 diagonal assignment:
    *     HD3   LYS+ 112 - HD3   LYS+ 112  (0.89)  kept
 
    Peak 1724 (2.02, 1.53, 33.52 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 6.82, residual support = 313.3:
    * O   HB2   LYS+ 111 - HB3   LYS+ 111   1.75 +/- 0.00  80.737% * 97.3629% (1.00  10.0   6.85 314.87) =  99.512%  kept
          QB    GLU- 114 - HB3   LYS+ 111   4.09 +/- 1.29  18.622% *  2.0671% (0.57   1.0   0.75   1.77) =   0.487%  kept
          HB3   PRO   68 - HB3   LYS+ 111  23.46 +/- 3.93   0.084% *  0.0845% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   LYS+ 111  11.76 +/- 1.23   0.292% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LYS+ 111  22.30 +/- 4.12   0.087% *  0.0400% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LYS+ 111  27.02 +/- 4.06   0.029% *  0.0965% (0.99   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LYS+ 111  27.85 +/- 3.45   0.023% *  0.0965% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LYS+ 111  29.85 +/- 3.61   0.019% *  0.0873% (0.90   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LYS+ 111  25.75 +/- 2.68   0.030% *  0.0474% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB3   LYS+ 111  26.85 +/- 2.53   0.025% *  0.0474% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   LYS+ 111  27.05 +/- 3.02   0.025% *  0.0271% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   LYS+ 111  26.04 +/- 2.69   0.028% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1725 (1.53, 1.53, 33.52 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 111 - HB3   LYS+ 111  (1.00)  kept
 
    Peak 1743 (1.09, 1.09, 22.46 ppm):
    2 diagonal assignments:
    *     QG1   VAL  107 - QG1   VAL  107  (1.00)  kept
          QG2   VAL   24 - QG2   VAL   24  (0.06)  kept
 
    Peak 1745 (1.15, 1.15, 21.16 ppm):
    1 diagonal assignment:
    *     QG2   VAL  107 - QG2   VAL  107  (1.00)  kept
 
    Peak 1747 (1.09, 4.48, 62.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.6, residual support = 60.2:
    * O T QG1   VAL  107 - HA    VAL  107   2.27 +/- 0.23  95.953% * 99.5482% (1.00  10.0 10.00   4.60  60.19) =  99.998%  kept
          HD3   LYS+ 112 - HA    VAL  107  11.98 +/- 2.06   1.296% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   VAL   24 - HA    VAL  107  17.14 +/- 2.64   0.328% *  0.2482% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HA    VAL  107  17.97 +/- 3.07   0.353% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107  11.97 +/- 3.88   1.105% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    VAL  107  13.87 +/- 2.87   0.758% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.85 +/- 3.06   0.206% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1748 (1.15, 4.48, 62.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 60.2:
    * O T QG2   VAL  107 - HA    VAL  107   2.62 +/- 0.33  93.877% * 99.7501% (1.00  10.0 10.00   3.63  60.19) =  99.996%  kept
          HG13  ILE  103 - HA    VAL  107  10.55 +/- 1.09   1.786% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HA    VAL  107  14.56 +/- 6.31   1.349% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HA    VAL  107  17.84 +/- 3.53   0.710% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107  11.97 +/- 3.88   1.968% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.85 +/- 3.06   0.309% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1750 (1.86, 4.80, 54.18 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 3.24, residual support = 40.1:
    * O T HB3   ASP- 105 - HA    ASP- 105   2.95 +/- 0.16  61.415% * 83.9107% (1.00  10.0 10.00   3.17  41.30) =  93.522%  kept
          QB    LYS+ 106 - HA    ASP- 105   4.17 +/- 0.30  23.043% * 15.4549% (0.87   1.0  1.00   4.25  22.22) =   6.463%  kept
          HB    ILE  103 - HA    ASP- 105   6.16 +/- 0.45   7.122% *  0.0832% (0.99   1.0  1.00   0.02   3.39) =   0.011%
          HG12  ILE  103 - HA    ASP- 105   7.21 +/- 0.75   4.743% *  0.0129% (0.15   1.0  1.00   0.02   3.39) =   0.001%
          HG3   PRO   68 - HA    ASP- 105  19.64 +/- 5.76   0.716% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HA    ASP- 105  18.44 +/- 2.68   0.364% *  0.0794% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HA    ASP- 105  20.39 +/- 2.87   0.361% *  0.0753% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ASP- 105  19.90 +/- 2.82   0.240% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ASP- 105  22.81 +/- 3.45   0.178% *  0.0837% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ASP- 105  18.00 +/- 5.82   0.505% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ASP- 105  17.69 +/- 3.69   0.383% *  0.0376% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ASP- 105  19.68 +/- 5.10   0.315% *  0.0259% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ASP- 105  21.60 +/- 3.57   0.243% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ASP- 105  19.29 +/- 3.25   0.372% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1751 (2.23, 1.86, 47.73 ppm):
    9 chemical-shift based assignments, quality = 0.946, support = 3.25, residual support = 41.3:
    * O T HB2   ASP- 105 - HB3   ASP- 105   1.75 +/- 0.00  97.241% * 99.5527% (0.95  10.0 10.00   3.25  41.30) =  99.999%  kept
          HB2   MET   96 - HB3   ASP- 105   8.61 +/- 0.72   0.872% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HB3   ASP- 105  13.49 +/- 1.40   0.247% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   ASP- 105  19.35 +/- 3.55   0.141% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP- 105  12.40 +/- 5.41   0.750% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   ASP- 105  14.03 +/- 3.85   0.358% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP- 105  19.46 +/- 1.07   0.073% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   ASP- 105  18.15 +/- 4.16   0.239% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP- 105  21.99 +/- 3.62   0.077% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1752 (1.86, 1.86, 47.73 ppm):
    1 diagonal assignment:
    *     HB3   ASP- 105 - HB3   ASP- 105  (1.00)  kept
 
    Peak 1761 (1.56, 1.37, 25.37 ppm):
    20 chemical-shift based assignments, quality = 0.832, support = 4.99, residual support = 141.4:
    * O   HG2   LYS+ 106 - HG3   LYS+ 106   1.75 +/- 0.00  46.484% * 66.9933% (1.00  10.0  1.00   4.88 135.48) =  67.311%  kept
      O   HG2   LYS+  33 - HG3   LYS+  33   1.75 +/- 0.00  46.484% * 32.5339% (0.49  10.0  1.00   5.23 153.50) =  32.688%  kept
          HD3   LYS+  74 - HG3   LYS+  65   9.60 +/- 4.67   5.834% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+ 111 - HG3   LYS+ 106  13.92 +/- 2.83   0.138% *  0.1034% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 106  17.02 +/- 3.09   0.083% *  0.0664% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  33  21.09 +/- 4.90   0.054% *  0.0422% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+ 102  11.87 +/- 1.31   0.169% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  33  16.14 +/- 3.46   0.264% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 106  20.20 +/- 2.23   0.035% *  0.0512% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  65  18.77 +/- 3.65   0.061% *  0.0279% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  65  20.82 +/- 3.44   0.049% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  33  20.94 +/- 2.45   0.031% *  0.0426% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+  65  18.44 +/- 3.12   0.054% *  0.0215% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 106  16.92 +/- 3.44   0.073% *  0.0117% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 102  22.76 +/- 4.30   0.037% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 102  20.11 +/- 5.11   0.045% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG3   LYS+ 102  24.36 +/- 2.93   0.020% *  0.0188% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  65  20.35 +/- 2.75   0.039% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  33  28.98 +/- 2.88   0.012% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 102  23.32 +/- 3.89   0.035% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1762 (1.37, 1.37, 25.37 ppm):
    4 diagonal assignments:
    *     HG3   LYS+ 106 - HG3   LYS+ 106  (1.00)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.51)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.36)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.17)  kept
 
    Peak 1770 (1.82, 1.82, 28.60 ppm):
    1 diagonal assignment:
    *     HG12  ILE  103 - HG12  ILE  103  (0.64)  kept
 
    Peak 1771 (1.82, 1.16, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.8, support = 4.31, residual support = 137.1:
    * O T HG12  ILE  103 - HG13  ILE  103   1.75 +/- 0.00  88.962% * 81.2336% (0.80  10.0 10.00   4.30 138.66) =  98.673%  kept
          QB    LYS+ 102 - HG13  ILE  103   6.10 +/- 1.07   5.295% * 18.2522% (0.73   1.0  1.00   4.96  23.23) =   1.320%  kept
          HB    VAL   41 - HG13  ILE  103  11.05 +/- 5.06   5.198% *  0.0936% (0.92   1.0  1.00   0.02   0.02) =   0.007%
          HG2   PRO   93 - HG13  ILE  103  17.05 +/- 1.42   0.106% *  0.0936% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE  103  18.66 +/- 2.84   0.096% *  0.1012% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG13  ILE  103  17.38 +/- 3.84   0.133% *  0.0574% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE  103  18.43 +/- 2.30   0.095% *  0.0615% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE  103  21.91 +/- 3.74   0.059% *  0.0534% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE  103  22.96 +/- 3.53   0.057% *  0.0534% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1773 (1.16, 1.16, 28.60 ppm):
    1 diagonal assignment:
    *     HG13  ILE  103 - HG13  ILE  103  (1.00)  kept
 
    Peak 1786 (1.81, 1.81, 34.65 ppm):
    2 diagonal assignments:
    *     QB    LYS+ 102 - QB    LYS+ 102  (1.00)  kept
          HB    VAL   41 - HB    VAL   41  (0.22)  kept
 
    Peak 1825 (0.59, 0.59, 24.39 ppm):
    1 diagonal assignment:
    *     QD2   LEU   80 - QD2   LEU   80  (1.00)  kept
 
    Peak 1828 (1.44, 1.44, 26.98 ppm):
    4 diagonal assignments:
    *     HG    LEU   80 - HG    LEU   80  (0.42)  kept
          HG    LEU   73 - HG    LEU   73  (0.24)  kept
          HG    LEU   40 - HG    LEU   40  (0.24)  kept
          HG12  ILE   19 - HG12  ILE   19  (0.12)  kept
 
    Peak 1835 (2.14, 2.14, 31.53 ppm):
    2 diagonal assignments:
    *     HB3   GLU-  79 - HB3   GLU-  79  (1.00)  kept
          HB2   GLN   90 - HB2   GLN   90  (0.23)  kept
 
    Peak 1858 (1.48, 1.41, 36.69 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.65, residual support = 186.9:
    * O   HB2   LYS+  74 - HB3   LYS+  74   1.75 +/- 0.00  88.273% * 99.4757% (0.80  10.0   5.65 186.90) =  99.990%  kept
          QB    ALA  120 - HB3   LYS+  74  16.75 +/- 4.32   5.459% *  0.0853% (0.69   1.0   0.02   0.02) =   0.005%
          HB3   LEU   40 - HB3   LYS+  74  14.08 +/- 4.08   1.754% *  0.1114% (0.90   1.0   0.02   0.02) =   0.002%
          HG2   LYS+  65 - HB3   LYS+  74  10.15 +/- 3.10   1.702% *  0.0557% (0.45   1.0   0.02   0.02) =   0.001%
          QG2   THR   26 - HB3   LYS+  74   8.70 +/- 1.66   1.026% *  0.0654% (0.53   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HB3   LYS+  74  11.16 +/- 2.79   0.619% *  0.0310% (0.25   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   LYS+  74  15.44 +/- 3.40   0.204% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   LYS+  74  17.09 +/- 4.49   0.243% *  0.0466% (0.38   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HB3   LYS+  74  13.26 +/- 3.04   0.513% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB3   LYS+  74  15.95 +/- 3.86   0.207% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1859 (1.41, 1.41, 36.69 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  74 - HB3   LYS+  74  (1.00)  kept
 
    Peak 1861 (1.53, 1.53, 30.09 ppm):
    2 diagonal assignments:
    *     HD3   LYS+  74 - HD3   LYS+  74  (1.00)  kept
          HD2   LYS+ 121 - HD2   LYS+ 121  (0.03)  kept
 
    Peak 1884 (1.22, -0.08, 26.04 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.14, residual support = 215.7:
    * O T HG12  ILE   89 - HG13  ILE   89   1.75 +/- 0.00  98.593% * 99.3078% (1.00  10.0 10.00   5.14 215.66) =  99.999%  kept
        T HG3   LYS+  99 - HG13  ILE   89  18.52 +/- 2.24   0.098% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG13  ILE   89  15.98 +/- 3.60   0.252% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG13  ILE   89  13.03 +/- 2.67   0.464% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG13  ILE   89  17.33 +/- 4.79   0.230% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG13  ILE   89  19.64 +/- 3.40   0.141% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG13  ILE   89  18.61 +/- 3.01   0.122% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG13  ILE   89  19.16 +/- 2.68   0.099% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1885 (-0.08, -0.08, 26.04 ppm):
    1 diagonal assignment:
    *     HG13  ILE   89 - HG13  ILE   89  (1.00)  kept
 
    Peak 1887 (0.09, 0.09, 9.19 ppm):
    1 diagonal assignment:
    *     QD1   ILE   89 - QD1   ILE   89  (1.00)  kept
 
    Peak 1902 (1.44, 1.44, 27.31 ppm):
    5 diagonal assignments:
    *     HG    LEU   73 - HG    LEU   73  (1.00)  kept
          HG    LEU   40 - HG    LEU   40  (0.13)  kept
          HG12  ILE   19 - HG12  ILE   19  (0.11)  kept
          HG    LEU   80 - HG    LEU   80  (0.05)  kept
          HG    LEU  115 - HG    LEU  115  (0.00)  kept
 
    Peak 1909 (1.24, 1.24, 27.63 ppm):
    2 diagonal assignments:
    *     HG    LEU   71 - HG    LEU   71  (1.00)  kept
          HG13  ILE   19 - HG13  ILE   19  (0.13)  kept
 
    Peak 1923 (1.64, 1.64, 16.31 ppm):
    1 diagonal assignment:
    *     QB    ALA   57 - QB    ALA   57  (1.00)  kept
 
    Peak 1924 (4.26, 1.64, 16.31 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 24.1:
    * O T HA    ALA   57 - QB    ALA   57   2.13 +/- 0.01  90.713% * 99.6237% (1.00  10.0 10.00   2.81  24.15) =  99.995%  kept
          HA1   GLY   51 - QB    ALA   57   9.35 +/- 2.10   1.933% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  79 - QB    ALA   57  15.31 +/- 4.35   2.297% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  44 - QB    ALA   57   9.72 +/- 2.60   2.239% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   57  12.77 +/- 4.44   1.440% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - QB    ALA   57  12.19 +/- 1.73   0.656% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA   57  18.65 +/- 2.67   0.207% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA   57  17.43 +/- 2.53   0.204% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   57  17.82 +/- 3.75   0.260% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   57  27.62 +/- 3.95   0.052% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1926 (4.26, 4.26, 57.40 ppm):
    1 diagonal assignment:
    *     HA    ALA   57 - HA    ALA   57  (1.00)  kept
 
    Peak 1933 (0.79, 0.79, 15.02 ppm):
    1 diagonal assignment:
    *     QD1   ILE   56 - QD1   ILE   56  (0.89)  kept
 
    Peak 1940 (4.27, 4.27, 48.66 ppm):
    1 diagonal assignment:
    *     HA1   GLY   51 - HA1   GLY   51  (1.00)  kept
 
    Peak 1941 (4.27, 3.94, 48.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 10.2:
    * O T HA1   GLY   51 - HA2   GLY   51   1.75 +/- 0.00  98.432% * 97.5263% (1.00  10.0 10.00   2.81  10.19) =  99.998%  kept
        T HA    SER   85 - HA2   GLY   51  20.81 +/- 3.77   0.100% *  0.4747% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HA2   GLY   51  27.30 +/- 4.43   0.041% *  0.9560% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HA2   GLY   51  11.11 +/- 1.22   0.438% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA2   GLY   51  18.71 +/- 4.99   0.299% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HA2   GLY   51  25.88 +/- 3.43   0.046% *  0.5915% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HA2   GLY   51  15.50 +/- 5.04   0.390% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - HA2   GLY   51  19.77 +/- 2.76   0.086% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA2   GLY   51  15.54 +/- 1.36   0.155% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA2   GLY   51  37.81 +/- 5.61   0.013% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1942 (3.94, 3.94, 48.66 ppm):
    1 diagonal assignment:
    *     HA2   GLY   51 - HA2   GLY   51  (1.00)  kept
 
    Peak 1975 (0.76, 0.76, 22.78 ppm):
    3 diagonal assignments:
    *     QG1   VAL   41 - QG1   VAL   41  (1.00)  kept
          QG2   VAL   18 - QG2   VAL   18  (0.58)  kept
          QD2   LEU  104 - QD2   LEU  104  (0.01)  kept
 
    Peak 1986 (2.86, 2.86, 38.12 ppm):
    1 diagonal assignment:
    *     HB3   ASN   35 - HB3   ASN   35  (1.00)  kept
 
    Peak 2005 (2.11, 2.11, 32.16 ppm):
    2 diagonal assignments:
    *     HB    VAL   24 - HB    VAL   24  (1.00)  kept
          HB2   PRO   68 - HB2   PRO   68  (0.51)  kept
 
    Peak 2007 (1.07, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.7, residual support = 64.9:
    * O T QG2   VAL   24 - QG1   VAL   24   2.03 +/- 0.07  96.227% * 99.5951% (1.00  10.0 10.00   2.70  64.95) =  99.995%  kept
          HG    LEU   63 - QG1   VAL   24  15.98 +/- 4.28   3.124% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.003%
        T QG1   VAL  107 - QG1   VAL   24  14.99 +/- 2.60   0.515% *  0.2483% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QG1   VAL   24  21.16 +/- 4.07   0.134% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2010 (4.81, 4.81, 72.92 ppm):
    1 diagonal assignment:
    *     HB    THR   23 - HB    THR   23  (1.00)  kept
 
    Peak 2025 (0.69, 0.69, 16.64 ppm):
    1 diagonal assignment:
    *     QG2   ILE   19 - QG2   ILE   19  (1.00)  kept
 
    Peak 2031 (3.96, 3.96, 45.84 ppm):
    1 diagonal assignment:
    *     HA2   GLY   16 - HA2   GLY   16  (1.00)  kept
 
    Peak 2038 (1.46, 1.46, 26.98 ppm):
    3 diagonal assignments:
    *     HG    LEU   40 - HG    LEU   40  (1.00)  kept
          HG    LEU  115 - HG    LEU  115  (0.35)  kept
          HG    LEU   73 - HG    LEU   73  (0.13)  kept
 
    Peak 2039 (0.98, 0.98, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   40 - QD2   LEU   40  (1.00)  kept
 
    Peak 2040 (0.98, 0.98, 27.63 ppm):
    1 diagonal assignment:
    *     QD1   LEU   67 - QD1   LEU   67  (1.00)  kept
 
    Peak 2045 (1.35, 1.35, 27.95 ppm):
    1 diagonal assignment:
    *     HG    LEU   98 - HG    LEU   98  (1.00)  kept
 
    Peak 2047 (4.99, 4.99, 52.22 ppm):
    2 diagonal assignments:
    *     HA    LEU   67 - HA    LEU   67  (1.00)  kept
          HA    ASP-  76 - HA    ASP-  76  (0.04)  kept
 
    Peak 2050 (0.91, 0.91, 26.66 ppm):
    1 diagonal assignment:
    *     QD1   LEU   40 - QD1   LEU   40  (1.00)  kept
 
    Peak 2051 (1.98, 1.98, 42.52 ppm):
    1 diagonal assignment:
    *     HB2   LEU   67 - HB2   LEU   67  (0.53)  kept
 
    Peak 2052 (1.43, 1.43, 42.52 ppm):
    1 diagonal assignment:
    *     HB3   LEU   67 - HB3   LEU   67  (0.89)  kept
 
    Peak 2055 (1.46, 1.46, 26.01 ppm):
    2 diagonal assignments:
    *     HG    LEU   67 - HG    LEU   67  (1.00)  kept
          QG    LYS+  66 - QG    LYS+  66  (0.03)  kept
 
    Peak 2056 (0.92, 0.92, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   67 - QD2   LEU   67  (1.00)  kept
 
    Peak 2057 (3.84, 3.84, 51.93 ppm):
    1 diagonal assignment:
    *     HD3   PRO   52 - HD3   PRO   52  (1.00)  kept
 
    Peak 2062 (3.33, 3.33, 50.60 ppm):
    2 diagonal assignments:
    *     HD3   PRO   68 - HD3   PRO   68  (1.00)  kept
          HD3   PRO   93 - HD3   PRO   93  (0.18)  kept
 
    Peak 2063 (3.75, 3.75, 50.60 ppm):
    2 diagonal assignments:
    *     HD2   PRO   68 - HD2   PRO   68  (1.00)  kept
          HD3   PRO   58 - HD3   PRO   58  (0.02)  kept
 
    Peak 2067 (3.72, 3.72, 50.93 ppm):
    2 diagonal assignments:
    *     HD3   PRO   58 - HD3   PRO   58  (0.89)  kept
          HD2   PRO   68 - HD2   PRO   68  (0.01)  kept
 
    Peak 2077 (1.98, 1.98, 28.60 ppm):
    1 diagonal assignment:
    *     HG3   PRO   58 - HG3   PRO   58  (1.00)  kept
 
    Peak 2082 (1.36, 1.36, 34.10 ppm):
    1 diagonal assignment:
    *     HB3   PRO   93 - HB3   PRO   93  (1.00)  kept
 
    Peak 2086 (1.68, 1.68, 24.81 ppm):
    1 diagonal assignment:
    *     HG3   PRO   93 - HG3   PRO   93  (1.00)  kept
 
    Peak 2090 (1.98, 1.98, 27.31 ppm):
    1 diagonal assignment:
    *     HG2   PRO   68 - HG2   PRO   68  (0.47)  kept
 
    Peak 2091 (1.86, 1.86, 27.31 ppm):
    2 diagonal assignments:
    *     HG3   PRO   68 - HG3   PRO   68  (1.00)  kept
          HG2   ARG+  54 - HG2   ARG+  54  (0.26)  kept
 
    Peak 2094 (2.02, 2.02, 31.99 ppm):
    1 diagonal assignment:
    *     HB3   PRO   68 - HB3   PRO   68  (1.00)  kept
 
    Peak 2097 (2.12, 2.12, 38.95 ppm):
    1 diagonal assignment:
    *     HG3   GLU- 100 - HG3   GLU- 100  (1.00)  kept
 
    Peak 2111 (1.95, 1.95, 30.44 ppm):
    1 diagonal assignment:
    *     HB3   ARG+  54 - HB3   ARG+  54  (1.00)  kept
 
    Peak 2115 (3.25, 3.25, 43.59 ppm):
    1 diagonal assignment:
    *     HD3   ARG+  54 - HD3   ARG+  54  (1.00)  kept
 
    Peak 2117 (1.86, 1.86, 27.63 ppm):
    2 diagonal assignments:
    *     HG2   ARG+  54 - HG2   ARG+  54  (1.00)  kept
          HG3   PRO   68 - HG3   PRO   68  (0.26)  kept
 
    Peak 2119 (1.60, 1.60, 27.63 ppm):
    1 diagonal assignment:
    *     HG3   ARG+  54 - HG3   ARG+  54  (1.00)  kept
 
    Peak 2122 (2.15, 2.15, 30.04 ppm):
    2 diagonal assignments:
    *     QB    GLU-  36 - QB    GLU-  36  (1.00)  kept
          HB3   GLU-  29 - HB3   GLU-  29  (0.27)  kept
 
    Peak 2133 (2.73, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.56, residual support = 159.2:
    * O T HG2   GLN   30 - HG3   GLN   30   1.75 +/- 0.00  97.824% * 99.4743% (1.00  10.0 10.00   6.56 159.23) =  99.999%  kept
          HB3   ASN   28 - HG3   GLN   30   8.32 +/- 0.77   1.009% *  0.0918% (0.92   1.0  1.00   0.02  19.46) =   0.001%
          QE    LYS+ 121 - HG3   GLN   30  19.57 +/- 4.28   0.123% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   PRO   93  21.39 +/- 3.50   0.084% *  0.0775% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   LYS+ 111  27.93 +/- 2.98   0.028% *  0.1999% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HG3   GLN   30  20.78 +/- 4.58   0.103% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   LYS+ 111  15.33 +/- 2.86   0.228% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   PRO   93  22.39 +/- 4.03   0.154% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   PRO   93  16.14 +/- 2.85   0.154% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   LYS+ 111  17.47 +/- 1.64   0.108% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 111  28.77 +/- 4.10   0.036% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   PRO   93  17.01 +/- 3.30   0.149% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2134 (2.03, 2.03, 33.78 ppm):
    3 diagonal assignments:
    *     HG3   GLN   30 - HG3   GLN   30  (1.00)  kept
          HB2   LYS+ 111 - HB2   LYS+ 111  (0.10)  kept
          HB2   PRO   93 - HB2   PRO   93  (0.02)  kept
 
    Peak 2141 (2.92, 1.55, 25.23 ppm):
    24 chemical-shift based assignments, quality = 0.997, support = 4.57, residual support = 153.0:
    * O   QE    LYS+  33 - HG2   LYS+  33   2.74 +/- 0.45  68.861% * 96.3065% (1.00  10.0   4.58 153.50) =  99.642%  kept
          HB2   ASP-  78 - QG    LYS+  81   7.13 +/- 1.85   8.113% *  2.8298% (0.31   1.0   1.90   0.43) =   0.345%  kept
          HB2   ASN   28 - HG2   LYS+  33   9.81 +/- 1.01   1.929% *  0.0944% (0.98   1.0   0.02   0.02) =   0.003%
          HB2   ASP-  78 - HG2   LYS+  33  21.12 +/- 4.55   1.804% *  0.0623% (0.65   1.0   0.02   0.02) =   0.002%
          HB2   ASN   35 - HG2   LYS+  33   8.32 +/- 0.63   3.207% *  0.0329% (0.34   1.0   0.02   5.09) =   0.002%
          HB2   ASP-  86 - QG    LYS+  81   9.18 +/- 0.68   2.364% *  0.0317% (0.33   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HG2   LYS+  33  17.83 +/- 3.81   3.004% *  0.0214% (0.22   1.0   0.02   0.02) =   0.001%
          QE    LYS+  33 - QG    LYS+  81  19.67 +/- 4.69   1.008% *  0.0461% (0.48   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - QG    LYS+  81  17.13 +/- 4.00   0.789% *  0.0414% (0.43   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - QG    LYS+  81   8.59 +/- 1.49   3.156% *  0.0103% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+ 106  13.93 +/- 3.10   0.775% *  0.0401% (0.42   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+  33  17.95 +/- 2.74   0.348% *  0.0864% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - QG    LYS+  81  17.74 +/- 4.84   0.519% *  0.0452% (0.47   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  33  19.76 +/- 4.10   0.297% *  0.0662% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+ 106  19.95 +/- 3.40   0.301% *  0.0573% (0.59   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+  33  15.90 +/- 3.95   1.060% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HG2   LYS+ 106  20.27 +/- 2.19   0.237% *  0.0584% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+ 106  20.11 +/- 2.79   0.256% *  0.0524% (0.54   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+ 106  20.38 +/- 3.62   0.302% *  0.0378% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  21.29 +/- 4.23   0.354% *  0.0199% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  24.09 +/- 5.68   0.431% *  0.0157% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+ 106  17.87 +/- 3.26   0.369% *  0.0130% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - QG    LYS+  81  23.70 +/- 4.03   0.295% *  0.0071% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+ 106  21.23 +/- 4.39   0.222% *  0.0090% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2142 (1.55, 1.55, 25.23 ppm):
    3 diagonal assignments:
    *     HG2   LYS+  33 - HG2   LYS+  33  (1.00)  kept
          HG2   LYS+ 106 - HG2   LYS+ 106  (0.46)  kept
          QG    LYS+  81 - QG    LYS+  81  (0.40)  kept
 
    Peak 2144 (1.55, 1.86, 32.27 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 153.5:
    * O T HG2   LYS+  33 - QB    LYS+  33   2.25 +/- 0.08  97.807% * 98.2551% (1.00  10.0 10.00   5.63 153.50) =  99.995%  kept
        T QG    LYS+  81 - QB    LYS+  33  19.55 +/- 4.76   0.380% *  0.8207% (0.84   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+ 106 - QB    LYS+  33  19.68 +/- 2.28   0.165% *  0.7509% (0.76   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QB    LYS+  33  15.46 +/- 3.08   1.049% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  104 - QB    LYS+  33  15.98 +/- 3.56   0.392% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  33  21.85 +/- 4.02   0.140% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  33  27.03 +/- 2.83   0.067% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2145 (3.02, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.983, support = 4.82, residual support = 216.3:
    *     QE    LYS+  38 - HA    LYS+  38   3.63 +/- 1.14  43.178% * 93.8486% (1.00  1.00   4.84 219.76) =  98.120%  kept
          QE    LYS+  99 - HA    GLU- 100   5.70 +/- 1.15  16.158% *  4.4026% (0.05  1.00   4.19  38.54) =   1.723%  kept
          QE    LYS+  99 - HA    LYS+  38  11.33 +/- 7.59  11.995% *  0.3480% (0.90  1.00   0.02   0.02) =   0.101%  kept
        T HB3   TRP   27 - HA    LYS+  38  14.10 +/- 2.27   1.188% *  0.8639% (0.22 10.00   0.02   0.02) =   0.025%
          QE    LYS+ 102 - HA    LYS+  38  16.11 +/- 7.07   1.853% *  0.3582% (0.92  1.00   0.02   0.02) =   0.016%
          QE    LYS+  38 - HA    GLU- 100  11.64 +/- 8.24  16.628% *  0.0234% (0.06  1.00   0.02   0.02) =   0.009%
          QE    LYS+ 102 - HA    GLU- 100   8.53 +/- 1.05   4.939% *  0.0216% (0.06  1.00   0.02   0.02) =   0.003%
          HB2   PHE   97 - HA    LYS+  38  16.07 +/- 4.53   1.226% *  0.0768% (0.20  1.00   0.02   0.02) =   0.002%
        T HB3   TRP   27 - HA    GLU- 100  15.86 +/- 3.96   0.841% *  0.0522% (0.01 10.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - HA    GLU- 100  11.30 +/- 0.72   1.994% *  0.0046% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.84 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2154 (3.02, 3.02, 42.83 ppm):
    3 diagonal assignments:
    *     QE    LYS+  38 - QE    LYS+  38  (1.00)  kept
          QE    LYS+  99 - QE    LYS+  99  (0.24)  kept
          QE    LYS+ 102 - QE    LYS+ 102  (0.21)  kept
 
    Peak 2160 (1.33, 1.33, 26.01 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  99 - HG2   LYS+  99  (1.00)  kept
          HG2   LYS+  38 - HG2   LYS+  38  (0.27)  kept
 
    Peak 2162 (1.70, 1.70, 30.22 ppm):
    2 diagonal assignments:
    *     QD    LYS+  99 - QD    LYS+  99  (1.00)  kept
          QD    LYS+ 106 - QD    LYS+ 106  (0.80)  kept
 
    Peak 2172 (1.38, 1.38, 25.13 ppm):
    4 diagonal assignments:
    *     HG3   LYS+  65 - HG3   LYS+  65  (1.00)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.86)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.80)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.36)  kept
 
    Peak 2173 (2.93, 1.38, 25.13 ppm):
    24 chemical-shift based assignments, quality = 0.917, support = 4.67, residual support = 157.4:
    * O T QE    LYS+  65 - HG3   LYS+  65   2.46 +/- 0.48  52.350% * 54.8141% (1.00  10.0 10.00   4.35 159.74) =  63.430%  kept
      O T QE    LYS+  33 - HG3   LYS+  33   2.80 +/- 0.53  38.956% * 42.4513% (0.77  10.0 10.00   5.21 153.50) =  36.555%  kept
        T QE    LYS+  33 - HG3   LYS+  65  17.24 +/- 3.66   0.333% *  0.4916% (0.90   1.0 10.00   0.02   0.02) =   0.004%
        T QE    LYS+  65 - HG3   LYS+  33  18.12 +/- 2.76   0.206% *  0.4733% (0.86   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASN   35 - HG3   LYS+  33   7.44 +/- 0.67   2.640% *  0.0287% (0.52   1.0  1.00   0.02   5.09) =   0.002%
        T QE    LYS+  33 - HG3   LYS+ 102  18.97 +/- 4.19   0.178% *  0.4001% (0.73   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASN   28 - HG3   LYS+  33   9.80 +/- 1.01   1.187% *  0.0457% (0.83   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HG3   LYS+ 106  19.16 +/- 2.54   0.188% *  0.2301% (0.42   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HG3   LYS+ 102  25.11 +/- 2.70   0.078% *  0.4461% (0.81   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HG3   LYS+ 106  19.41 +/- 2.06   0.142% *  0.2063% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   28 - HG3   LYS+  65  20.11 +/- 4.52   0.500% *  0.0529% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   28 - HG3   LYS+ 102  20.10 +/- 5.71   0.372% *  0.0430% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  13.77 +/- 2.97   0.597% *  0.0212% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  18.18 +/- 4.59   0.259% *  0.0412% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  19.82 +/- 4.65   0.206% *  0.0437% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  18.44 +/- 7.82   0.279% *  0.0271% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  16.83 +/- 5.00   0.352% *  0.0206% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  22.16 +/- 3.54   0.166% *  0.0332% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  22.28 +/- 3.29   0.107% *  0.0506% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  21.53 +/- 4.52   0.236% *  0.0178% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  19.28 +/- 3.23   0.186% *  0.0222% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  25.75 +/- 6.12   0.182% *  0.0167% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  20.50 +/- 3.88   0.139% *  0.0140% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  19.79 +/- 3.51   0.163% *  0.0086% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2177 (2.16, 2.16, 36.74 ppm):
    1 diagonal assignment:
    *     HG3   GLU-  29 - HG3   GLU-  29  (1.00)  kept
 
    Peak 2178 (2.25, 2.16, 36.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.51, residual support = 92.6:
    * O T HB2   GLU-  29 - HG3   GLU-  29   2.29 +/- 0.06  96.792% * 99.1144% (1.00  10.0 10.00   4.51  92.64) =  99.998%  kept
        T QG    GLN   90 - HG3   GLU-  29  21.65 +/- 3.94   0.233% *  0.4444% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HG3   GLU-  29  18.76 +/- 5.69   0.883% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG3   GLU-  29  15.56 +/- 3.45   0.477% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   GLU-  29  15.47 +/- 1.90   0.374% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   GLU-  29  18.85 +/- 2.89   0.222% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG3   GLU-  29  14.75 +/- 2.18   0.490% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG3   GLU-  29  27.16 +/- 4.01   0.092% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG3   GLU-  29  24.02 +/- 3.49   0.115% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   GLU-  29  18.86 +/- 2.35   0.241% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   GLU-  29  26.70 +/- 3.55   0.079% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2179 (2.43, 2.16, 36.74 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 92.6:
    * O T HG2   GLU-  29 - HG3   GLU-  29   1.75 +/- 0.00  99.562% * 99.6674% (1.00  10.0 10.00   4.20  92.64) = 100.000%  kept
          HB3   ASP-  86 - HG3   GLU-  29  19.16 +/- 5.31   0.128% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   GLU-  29  21.47 +/- 3.02   0.086% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  29  24.10 +/- 3.30   0.054% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HG3   GLU-  29  27.32 +/- 4.68   0.040% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  29  20.21 +/- 3.36   0.087% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HG3   GLU-  29  24.64 +/- 2.59   0.042% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2192 (2.21, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.9:
    * O T QG    GLN   17 - HB3   GLN   17   2.39 +/- 0.13  94.013% * 98.5118% (0.76  10.0 10.00   4.31  84.92) =  99.979%  kept
        T HB    VAL   70 - HB3   GLN   17  11.88 +/- 3.95   1.347% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.016%
          HB2   MET   96 - HB3   GLN   17  18.52 +/- 4.25   2.617% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.004%
          HG2   GLU- 100 - HB3   GLN   17  19.59 +/- 6.15   0.739% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB3   GLN   17  16.40 +/- 3.75   0.719% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HB3   GLN   17  18.65 +/- 1.86   0.233% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLN   17  21.50 +/- 4.73   0.333% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2193 (1.79, 1.79, 31.50 ppm):
    1 diagonal assignment:
    *     HB3   GLN   17 - HB3   GLN   17  (1.00)  kept
 
    Peak 2195 (4.42, 1.79, 31.50 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 3.99, residual support = 84.8:
    * O T HA    GLN   17 - HB3   GLN   17   2.71 +/- 0.24  77.472% * 98.6731% (1.00  10.0 10.00   4.00  84.92) =  99.830%  kept
          HA    GLU-  15 - HB3   GLN   17   5.39 +/- 0.78  13.504% *  0.9258% (0.57   1.0  1.00   0.33   0.02) =   0.163%  kept
          HA    SER   13 - HB3   GLN   17   9.33 +/- 1.79   3.444% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HA    LEU   40 - HB3   GLN   17  14.70 +/- 3.80   3.031% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB3   GLN   17  14.68 +/- 4.66   1.013% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   GLN   17  15.43 +/- 2.88   0.813% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB3   GLN   17  18.27 +/- 4.47   0.474% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   GLN   17  20.72 +/- 4.38   0.250% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2196 (2.01, 1.79, 31.50 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.12, residual support = 84.7:
    * O T HB2   GLN   17 - HB3   GLN   17   1.75 +/- 0.00  93.635% * 88.9958% (1.00  10.0 10.00   4.13  84.92) =  99.713%  kept
        T QB    GLU-  15 - HB3   GLN   17   6.30 +/- 0.73   2.437% *  9.5511% (1.00   1.0 10.00   0.21   0.02) =   0.279%  kept
        T HB3   PRO   68 - HB3   GLN   17  14.29 +/- 5.58   0.503% *  0.7126% (0.80   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   GLN   30 - HB3   GLN   17  11.51 +/- 2.46   0.604% *  0.3659% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          HB    ILE   19 - HB3   GLN   17   7.63 +/- 0.95   1.332% *  0.0504% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HB3   GLN   17  14.65 +/- 4.77   0.307% *  0.0433% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   17  20.07 +/- 6.32   0.418% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   GLN   17  11.77 +/- 2.19   0.461% *  0.0156% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   GLN   17  19.35 +/- 2.05   0.080% *  0.0842% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   GLN   17  22.87 +/- 4.47   0.079% *  0.0576% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   17  27.72 +/- 4.28   0.032% *  0.0882% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   17  21.49 +/- 4.60   0.111% *  0.0156% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2202 (1.92, 1.92, 30.50 ppm):
    2 diagonal assignments:
    *     HB3   GLU-  14 - HB3   GLU-  14  (1.00)  kept
          HG3   MET   11 - HG3   MET   11  (0.34)  kept
 
    Peak 2204 (1.92, 4.31, 56.62 ppm):
    12 chemical-shift based assignments, quality = 0.855, support = 3.29, residual support = 45.8:
    * O T HB3   GLU-  14 - HA    GLU-  14   2.81 +/- 0.20  53.483% * 72.0932% (1.00  10.0 10.00   3.08  45.05) =  76.940%  kept
      O T HG3   MET   11 - HA    MET   11   3.13 +/- 0.57  43.133% * 26.7625% (0.37  10.0 10.00   4.00  48.36) =  23.035%  kept
        T HG3   MET   11 - HA    GLU-  14  10.96 +/- 1.43   1.296% *  0.6820% (0.95   1.0 10.00   0.02   0.02) =   0.018%
        T HB3   GLU-  14 - HA    MET   11  10.51 +/- 1.34   1.197% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.007%
          HB2   LEU   40 - HA    GLU-  14  17.95 +/- 4.38   0.356% *  0.0351% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  24.04 +/- 3.64   0.118% *  0.0625% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  25.28 +/- 4.69   0.105% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  24.13 +/- 3.53   0.109% *  0.0138% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  29.95 +/- 4.53   0.056% *  0.0245% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  30.18 +/- 3.96   0.054% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  31.82 +/- 5.10   0.054% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  35.99 +/- 6.04   0.040% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2207 (2.01, 2.01, 31.54 ppm):
    2 diagonal assignments:
    *     QB    GLU-  15 - QB    GLU-  15  (0.99)  kept
          HB2   GLN   17 - HB2   GLN   17  (0.98)  kept
 
    Peak 2213 (4.91, 4.91, 52.55 ppm):
    1 diagonal assignment:
    *     HA    MET   92 - HA    MET   92  (1.00)  kept
 
    Peak 2215 (1.89, 1.89, 34.43 ppm):
    1 diagonal assignment:
    *     HB2   MET   92 - HB2   MET   92  (1.00)  kept
 
    Peak 2216 (1.69, 1.69, 34.43 ppm):
    1 diagonal assignment:
    *     HB3   MET   92 - HB3   MET   92  (1.00)  kept
 
    Peak 2219 (1.89, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 61.2:
    * O T HB2   MET   92 - HA    MET   92   2.77 +/- 0.30  81.926% * 99.5277% (1.00  10.0 10.00   3.87  61.21) =  99.992%  kept
          QB    LYS+  81 - HA    MET   92  10.48 +/- 3.54   9.921% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          HB    ILE   56 - HA    MET   92  12.78 +/- 3.91   1.800% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   58 - HA    MET   92  16.65 +/- 4.14   1.199% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HA    MET   92   8.25 +/- 0.74   3.479% *  0.0197% (0.20   1.0  1.00   0.02   0.10) =   0.001%
          QB    LYS+ 106 - HA    MET   92  12.97 +/- 0.97   0.929% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   92  20.74 +/- 2.88   0.233% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    MET   92  26.48 +/- 3.39   0.139% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    MET   92  23.08 +/- 3.36   0.219% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   92  35.44 +/- 6.70   0.059% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   92  28.55 +/- 4.34   0.096% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2220 (1.69, 4.91, 52.55 ppm):
    10 chemical-shift based assignments, quality = 0.993, support = 4.24, residual support = 59.3:
    * O T HB3   MET   92 - HA    MET   92   2.85 +/- 0.15  79.591% * 83.8427% (1.00  10.0 10.00   4.22  61.21) =  96.863%  kept
          HG3   PRO   93 - HA    MET   92   5.36 +/- 0.71  13.882% * 15.5392% (0.76   1.0  1.00   4.85   1.86) =   3.131%  kept
          HD2   LYS+ 111 - HA    MET   92  13.41 +/- 3.29   1.576% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - HA    MET   92  13.08 +/- 1.54   0.948% *  0.0700% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HA    MET   92  16.69 +/- 2.34   0.593% *  0.0809% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HA    MET   92  11.32 +/- 2.85   2.470% *  0.0166% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HA    MET   92  24.82 +/- 3.49   0.174% *  0.1867% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    MET   92  22.88 +/- 3.55   0.387% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    MET   92  22.08 +/- 1.07   0.182% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    MET   92  21.85 +/- 1.86   0.196% *  0.0475% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2221 (2.31, 2.31, 33.13 ppm):
    1 diagonal assignment:
    *     HG2   MET   92 - HG2   MET   92  (1.00)  kept
 
    Peak 2222 (2.24, 2.24, 33.13 ppm):
    1 diagonal assignment:
    *     HG3   MET   92 - HG3   MET   92  (1.00)  kept
 
    Peak 2223 (2.31, 4.91, 52.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.49, residual support = 61.2:
    * O T HG2   MET   92 - HA    MET   92   2.75 +/- 0.47  77.197% * 99.5593% (1.00  10.0 10.00   2.49  61.21) =  99.979%  kept
          HG2   PRO   52 - HA    MET   92   9.89 +/- 4.53  18.119% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.015%
          HB2   GLU-  79 - HA    MET   92  12.89 +/- 4.69   2.615% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU- 114 - HA    MET   92  11.85 +/- 2.10   1.638% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLU-  36 - HA    MET   92  29.78 +/- 3.98   0.125% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    MET   92  23.87 +/- 3.46   0.159% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    MET   92  31.40 +/- 5.66   0.147% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2224 (2.24, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 0.996, support = 3.95, residual support = 60.9:
    * O T HG3   MET   92 - HA    MET   92   3.22 +/- 0.66  75.287% * 95.4736% (1.00  10.0 10.00   3.97  61.21) =  99.506%  kept
        T HB2   ASP-  44 - HA    MET   92  10.93 +/- 1.75   8.530% *  4.0970% (0.20   1.0 10.00   0.43   0.19) =   0.484%  kept
          HB3   ASP-  76 - HA    MET   92  12.44 +/- 5.16   4.517% *  0.0541% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLN   90 - HA    MET   92   7.62 +/- 0.59   7.230% *  0.0326% (0.34   1.0  1.00   0.02   0.10) =   0.003%
          HG12  ILE  119 - HA    MET   92  16.04 +/- 2.57   1.173% *  0.0656% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    MET   92  24.22 +/- 3.81   0.524% *  0.0936% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    MET   92  17.53 +/- 1.07   0.591% *  0.0764% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HA    MET   92  16.69 +/- 3.02   1.462% *  0.0265% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    MET   92  26.76 +/- 1.16   0.173% *  0.0465% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    MET   92  25.42 +/- 3.46   0.238% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    MET   92  24.99 +/- 3.81   0.276% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2226 (4.14, 4.14, 45.70 ppm):
    1 diagonal assignment:
    *     HA1   GLY  101 - HA1   GLY  101  (1.00)  kept
 
    Peak 2228 (2.04, 1.87, 37.27 ppm):
    11 chemical-shift based assignments, quality = 0.922, support = 1.89, residual support = 5.91:
          HB    VAL  108 - QB    LYS+ 106   4.49 +/- 0.27  71.405% * 80.4709% (0.92  1.00   1.91   5.96) =  99.189%  kept
          HB    ILE  119 - QB    LYS+ 106  13.99 +/- 3.42   3.549% *  6.4090% (1.00  1.00   0.14   0.02) =   0.393%  kept
        T HB2   GLN   30 - QB    LYS+ 106  17.15 +/- 2.29   1.498% *  9.1418% (1.00 10.00   0.02   0.02) =   0.236%  kept
          HB2   PRO   93 - QB    LYS+ 106  10.74 +/- 1.20   6.122% *  0.5176% (0.57  1.00   0.02   0.02) =   0.055%
          HB3   GLU- 100 - QB    LYS+ 106  14.40 +/- 1.16   2.389% *  0.9061% (0.99  1.00   0.02   0.02) =   0.037%
          HB2   ARG+  54 - QB    LYS+ 106  18.19 +/- 3.48   2.128% *  0.7930% (0.87  1.00   0.02   0.02) =   0.029%
          HB2   LYS+ 111 - QB    LYS+ 106  11.50 +/- 2.34   7.397% *  0.2035% (0.22  1.00   0.02   0.02) =   0.026%
          HG3   GLN   30 - QB    LYS+ 106  18.24 +/- 2.18   1.242% *  0.7930% (0.87  1.00   0.02   0.02) =   0.017%
          HB3   PRO   68 - QB    LYS+ 106  20.04 +/- 3.74   1.279% *  0.4450% (0.49  1.00   0.02   0.02) =   0.010%
          HB2   GLN   17 - QB    LYS+ 106  20.27 +/- 3.87   1.824% *  0.1601% (0.18  1.00   0.02   0.02) =   0.005%
          QB    GLU-  15 - QB    LYS+ 106  20.18 +/- 3.06   1.168% *  0.1601% (0.18  1.00   0.02   0.02) =   0.003%
    Distance limit 3.45 A violated in 1 structures by 1.03 A, kept.
 
    Peak 2229 (9.12, 3.71, 61.73 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 4.64, residual support = 26.3:
      O   HN    ASP-  76 - HA    VAL   75   2.22 +/- 0.06  98.058% * 99.8873% (0.76  10.0   4.64  26.32) =  99.999%  kept
          HN    HIS   22 - HA    VAL   75   9.55 +/- 1.37   1.701% *  0.0636% (0.49   1.0   0.02   0.02) =   0.001%
          HN    VAL  108 - HA    VAL   75  17.31 +/- 2.73   0.240% *  0.0491% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2230 (8.53, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.22, residual support = 82.5:
      O   HN    VAL   75 - HA    VAL   75   2.89 +/- 0.04  93.643% * 93.0382% (0.90  10.0   5.24  82.87) =  99.495%  kept
          HN    ASP-  78 - HA    VAL   75   7.14 +/- 0.30   6.357% *  6.9618% (0.95   1.0   1.42   0.30) =   0.505%  kept
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2231 (4.88, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.466, support = 0.725, residual support = 16.9:
          HA    PHE   45 - HB    VAL   75   6.23 +/- 3.71  61.955% * 89.9031% (0.45   0.75  17.46) =  96.616%  kept
          HA    VAL   41 - HB    VAL   75   9.39 +/- 1.41  32.384% *  5.1606% (0.97   0.02   0.02) =   2.899%  kept
          HA    HIS  122 - HB    VAL   75  18.17 +/- 2.95   5.661% *  4.9363% (0.92   0.02   0.02) =   0.485%  kept
    Distance limit 3.72 A violated in 8 structures by 1.70 A, kept.
 
    Peak 2232 (6.85, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.13, residual support = 17.4:
          QD    PHE   45 - HB    VAL   75   5.66 +/- 3.14  77.679% * 98.5792% (0.87   2.13  17.46) =  99.791%  kept
          HD2   HIS  122 - HB    VAL   75  15.41 +/- 2.54  15.217% *  0.7317% (0.69   0.02   0.02) =   0.145%  kept
          HE22  GLN  116 - HB    VAL   75  18.75 +/- 4.21   7.105% *  0.6891% (0.65   0.02   0.02) =   0.064%
    Distance limit 3.80 A violated in 6 structures by 1.83 A, kept.
 
    Peak 2233 (6.72, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.795, support = 0.02, residual support = 1.49:
        T HZ    PHE   72 - HB    VAL   75   6.27 +/- 0.73  71.797% * 97.5882% (0.80 10.00   0.02   1.49) =  99.038%  kept
          HZ2   TRP   27 - HB    VAL   75  10.09 +/- 2.56  28.203% *  2.4118% (0.20  1.00   0.02   1.16) =   0.962%  kept
    Distance limit 4.16 A violated in 15 structures by 1.94 A, eliminated.
    Peak unassigned.
 
    Peak 2234 (8.54, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.44, residual support = 82.8:
      O   HN    VAL   75 - HB    VAL   75   2.54 +/- 0.50  96.309% * 97.2674% (0.99  10.0   4.44  82.87) =  99.892%  kept
          HN    ASP-  78 - HB    VAL   75   8.35 +/- 0.32   3.691% *  2.7326% (0.65   1.0   0.86   0.30) =   0.108%  kept
    Distance limit 3.30 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2235 (6.71, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.357, support = 2.42, residual support = 16.5:
        T QE    PHE   45 - QG1   VAL   75   4.06 +/- 2.65  59.198% * 85.2383% (0.34 10.00   2.50  17.46) =  93.977%  kept
          QD    PHE   72 - QG1   VAL   75   5.57 +/- 0.91  27.927% *  8.8588% (0.53  1.00   1.35   1.49) =   4.608%  kept
          HZ    PHE   72 - QG1   VAL   75   6.80 +/- 0.62  12.875% *  5.9029% (0.90  1.00   0.53   1.49) =   1.415%  kept
    Distance limit 3.33 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2236 (6.86, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.997, support = 3.08, residual support = 17.4:
          QD    PHE   45 - QG1   VAL   75   3.66 +/- 2.90  82.037% * 99.5788% (1.00   3.08  17.46) =  99.953%  kept
          HD2   HIS  122 - QG1   VAL   75  13.84 +/- 2.01  11.897% *  0.2211% (0.34   0.02   0.02) =   0.032%
          HE22  GLN  116 - QG1   VAL   75  16.30 +/- 3.35   6.066% *  0.2001% (0.31   0.02   0.02) =   0.015%
    Distance limit 3.41 A violated in 3 structures by 1.15 A, kept.
 
    Peak 2237 (8.53, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.902, support = 4.96, residual support = 74.9:
          HN    VAL   75 - QG1   VAL   75   3.21 +/- 0.54  81.762% * 67.6389% (0.90   5.24  82.87) =  90.357%  kept
          HN    ASP-  78 - QG1   VAL   75   5.58 +/- 0.35  18.238% * 32.3611% (0.95   2.38   0.30) =   9.643%  kept
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2238 (9.12, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.412, support = 4.95, residual support = 26.2:
          HN    ASP-  76 - QG1   VAL   75   3.22 +/- 0.42  84.912% * 88.0444% (0.41   4.97  26.32) =  99.726%  kept
          HN    VAL  108 - QG1   VAL   75  13.06 +/- 2.58   1.548% * 11.7850% (0.73   0.38   0.02) =   0.243%  kept
          HN    HIS   22 - QG1   VAL   75   9.52 +/- 2.01  13.540% *  0.1706% (0.20   0.02   0.02) =   0.031%
    Distance limit 3.46 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2239 (3.09, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.675, support = 0.02, residual support = 0.249:
          HB2   CYS   21 - QG2   VAL   75   7.76 +/- 1.89  56.731% * 67.1992% (0.76   0.02   0.29) =  84.740%  kept
          QE    LYS+  81 - QG2   VAL   75  10.26 +/- 1.61  33.172% * 15.3994% (0.18   0.02   0.02) =  11.355%  kept
          QE    LYS+ 111 - QG2   VAL   75  16.01 +/- 2.21  10.096% * 17.4014% (0.20   0.02   0.02) =   3.905%  kept
    Distance limit 3.71 A violated in 18 structures by 3.49 A, eliminated.
    Peak unassigned.
 
    Peak 2240 (6.37, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.643, support = 0.75, residual support = 11.2:
          HZ    PHE   45 - QG2   VAL   75   6.24 +/- 3.23  48.563% * 63.0260% (0.76   0.75  17.46) =  61.676%  kept
          HZ3   TRP   27 - QG2   VAL   75   6.15 +/- 2.98  51.437% * 36.9740% (0.45   0.75   1.16) =  38.324%  kept
    Distance limit 3.41 A violated in 5 structures by 1.24 A, kept.
 
    Peak 2241 (6.69, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.937, support = 1.83, residual support = 12.8:
          QE    PHE   45 - QG2   VAL   75   4.94 +/- 2.90  42.328% * 65.0595% (0.97   2.20  17.46) =  70.918%  kept
          QD    PHE   72 - QG2   VAL   75   4.66 +/- 1.06  35.907% * 26.0789% (1.00   0.85   1.49) =  24.115%  kept
          HZ    PHE   72 - QG2   VAL   75   6.19 +/- 0.93  21.764% *  8.8616% (0.25   1.16   1.49) =   4.967%  kept
    Distance limit 3.89 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2242 (7.33, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.791, support = 0.615, residual support = 1.08:
          HE3   TRP   27 - QG2   VAL   75   6.14 +/- 2.75  33.265% * 82.2469% (0.80   0.66   1.16) =  92.824%  kept
          HD2   HIS   22 - QG2   VAL   75   9.62 +/- 1.78  11.296% *  5.9734% (0.20   0.19   0.02) =   2.289%  kept
          QE    PHE   95 - QG2   VAL   75   8.49 +/- 2.50  19.006% *  3.0642% (0.98   0.02   0.02) =   1.976%  kept
          HN    THR   23 - QG2   VAL   75   8.03 +/- 1.99  15.141% *  3.0169% (0.97   0.02   0.02) =   1.550%  kept
          HN    LEU   67 - QG2   VAL   75   9.68 +/- 1.88  14.521% *  2.0223% (0.65   0.02   0.02) =   0.996%  kept
          QD    PHE   55 - QG2   VAL   75  14.46 +/- 2.12   2.423% *  2.7116% (0.87   0.02   0.02) =   0.223%  kept
          HD1   TRP   49 - QG2   VAL   75  13.85 +/- 2.86   4.349% *  0.9648% (0.31   0.02   0.02) =   0.142%  kept
    Distance limit 3.60 A violated in 8 structures by 1.21 A, kept.
 
    Peak 2243 (8.53, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.899, support = 4.8, residual support = 79.2:
          HN    VAL   75 - QG2   VAL   75   3.24 +/- 0.53  84.574% * 79.5908% (0.90   4.97  82.87) =  95.532%  kept
          HN    ASP-  78 - QG2   VAL   75   6.87 +/- 0.93  15.426% * 20.4092% (0.95   1.21   0.30) =   4.468%  kept
    Distance limit 3.62 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2244 (9.15, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.612, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG2   VAL   75   6.33 +/- 2.54  88.096% * 48.3894% (0.61   0.02   0.02) =  87.404%  kept
          HN    VAL  108 - QG2   VAL   75  13.94 +/- 2.70  11.904% * 51.6106% (0.65   0.02   0.02) =  12.596%  kept
    Distance limit 4.05 A violated in 9 structures by 2.25 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2245 (9.13, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.152, support = 3.7, residual support = 35.7:
      O   HN    ASP-  76 - HB3   ASP-  76   3.15 +/- 0.60  99.449% * 99.4520% (0.15  10.0   3.70  35.66) =  99.997%  kept
          HN    VAL  108 - HB3   ASP-  76  19.16 +/- 3.55   0.551% *  0.5480% (0.84   1.0   0.02   0.02) =   0.003%
    Distance limit 3.40 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2246 (9.12, 2.90, 42.19 ppm):
    9 chemical-shift based assignments, quality = 0.411, support = 3.67, residual support = 35.7:
      O   HN    ASP-  76 - HB2   ASP-  76   2.82 +/- 0.42  91.564% * 99.6604% (0.41  10.0   3.67  35.66) =  99.997%  kept
          HN    VAL  108 - HB2   ASP-  76  19.19 +/- 3.27   0.601% *  0.1760% (0.73   1.0   0.02   0.02) =   0.001%
          HN    HIS   22 - HB2   ASP-  76  10.98 +/- 2.41   1.953% *  0.0480% (0.20   1.0   0.02   0.02) =   0.001%
          HN    ASP-  76 - QE    LYS+  33  15.63 +/- 3.28   1.603% *  0.0149% (0.06   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  66  15.30 +/- 2.50   0.975% *  0.0207% (0.09   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  66  20.02 +/- 3.92   0.480% *  0.0366% (0.15   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  33  12.00 +/- 1.79   2.007% *  0.0072% (0.03   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  66  17.56 +/- 2.45   0.624% *  0.0100% (0.04   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  33  24.09 +/- 2.23   0.193% *  0.0263% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2247 (8.10, 3.58, 65.17 ppm):
    4 chemical-shift based assignments, quality = 0.379, support = 0.581, residual support = 0.545:
          HN    LEU   80 - HA    THR   77   4.95 +/- 1.63  69.138% * 87.8991% (0.38   0.59   0.56) =  97.973%  kept
          HN    CYS   53 - HA    THR   77  14.97 +/- 4.24  17.185% *  4.7925% (0.61   0.02   0.02) =   1.328%  kept
          HN    THR   26 - HA    THR   77  15.48 +/- 2.15   4.573% *  5.1115% (0.65   0.02   0.02) =   0.377%  kept
          HN    ALA   34 - HA    THR   77  18.68 +/- 4.55   9.104% *  2.1969% (0.28   0.02   0.02) =   0.322%  kept
    Distance limit 3.66 A violated in 6 structures by 1.24 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 2248 (8.54, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.651, support = 4.71, residual support = 28.2:
      O   HN    ASP-  78 - HA    THR   77   3.51 +/- 0.08  89.131% * 91.8024% (0.65  10.0   4.75  28.45) =  98.923%  kept
          HN    VAL   75 - HA    THR   77   7.49 +/- 0.82  10.869% *  8.1976% (0.99   1.0   1.17   0.71) =   1.077%  kept
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2249 (9.29, 3.58, 65.17 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.02, residual support = 37.4:
      O   HN    THR   77 - HA    THR   77   2.81 +/- 0.06 100.000% *100.0000% (0.53  10.0   4.02  37.44) = 100.000%  kept
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2250 (6.87, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.11, residual support = 9.64:
        T QD    PHE   45 - QG2   THR   77   4.32 +/- 3.69 100.000% *100.0000% (0.80 10.00   3.11   9.64) = 100.000%  kept
    Distance limit 3.25 A violated in 4 structures by 1.62 A, kept.
 
    Peak 2251 (8.47, 1.30, 23.34 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.54, residual support = 10.7:
          HN    THR   46 - QG2   THR   77   5.28 +/- 4.32  45.004% * 98.1447% (0.87   3.56  10.73) =  99.363%  kept
          HN    LYS+  74 - QG2   THR   77   9.10 +/- 1.66  23.767% *  0.6229% (0.98   0.02   0.02) =   0.333%  kept
          HN    MET   92 - QG2   THR   77   8.19 +/- 5.22  23.664% *  0.4365% (0.69   0.02   0.02) =   0.232%  kept
          HN    MET   11 - QG2   THR   77  25.02 +/- 5.70   5.281% *  0.4615% (0.73   0.02   0.02) =   0.055%
          HN    LYS+ 112 - QG2   THR   77  14.63 +/- 4.12   2.284% *  0.3344% (0.53   0.02   0.02) =   0.017%
    Distance limit 3.47 A violated in 4 structures by 1.11 A, kept.
 
    Peak 2252 (9.28, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.02, residual support = 37.4:
          HN    THR   77 - QG2   THR   77   2.38 +/- 0.61 100.000% *100.0000% (0.87   4.02  37.44) = 100.000%  kept
    Distance limit 3.14 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2253 (4.64, 1.48, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.615, support = 1.3, residual support = 5.85:
          HA    ALA   20 - HB2   LYS+  74   4.44 +/- 1.65  78.288% * 70.7732% (0.61   1.39   6.49) =  89.724%  kept
          HA    LEU   71 - HB2   LYS+  74   9.27 +/- 1.48  21.712% * 29.2268% (0.64   0.55   0.28) =  10.276%  kept
    Distance limit 3.82 A violated in 4 structures by 0.58 A, kept.
 
    Peak 2254 (4.64, 1.41, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.769, support = 2.29, residual support = 5.73:
          HA    ALA   20 - HB3   LYS+  74   4.35 +/- 1.88  77.988% * 67.0377% (0.76   2.45   6.49) =  87.813%  kept
          HA    LEU   71 - HB3   LYS+  74   9.64 +/- 1.68  22.012% * 32.9623% (0.80   1.15   0.28) =  12.187%  kept
    Distance limit 3.74 A violated in 3 structures by 0.62 A, kept.
 
    Peak 2255 (4.94, 1.41, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 6.2, residual support = 186.9:
      O   HA    LYS+  74 - HB3   LYS+  74   2.82 +/- 0.24  98.100% * 99.8966% (0.80  10.0   6.20 186.90) =  99.999%  kept
          HA    THR   94 - HB3   LYS+  74  14.30 +/- 2.51   1.114% *  0.0757% (0.61   1.0   0.02   0.02) =   0.001%
          HA    MET   92 - HB3   LYS+  74  15.47 +/- 2.70   0.786% *  0.0278% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2256 (5.05, 2.06, 34.10 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 5.98, residual support = 132.4:
      O T HA    PRO   93 - HB2   PRO   93   2.54 +/- 0.21  99.719% * 99.9221% (0.49  10.0 10.00   5.98 132.40) = 100.000%  kept
        T HA    PRO   93 - HG3   GLN   30  19.57 +/- 2.83   0.281% *  0.0779% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2257 (1.71, 1.36, 34.10 ppm):
    8 chemical-shift based assignments, quality = 0.42, support = 1.7, residual support = 1.75:
          HB3   MET   92 - HB3   PRO   93   4.71 +/- 0.58  39.827% * 75.0677% (0.41  1.00   1.81   1.86) =  93.615%  kept
        T HD2   LYS+ 111 - HB3   PRO   93  10.22 +/- 3.62  12.781% *  6.2130% (0.31 10.00   0.02   0.02) =   2.486%  kept
        T HB2   LEU   73 - HB3   PRO   93  15.64 +/- 3.27   5.089% * 11.3965% (0.57 10.00   0.02   0.02) =   1.816%  kept
          QG1   ILE   56 - HB3   PRO   93   7.29 +/- 3.30  28.772% *  1.8053% (0.90  1.00   0.02   0.02) =   1.626%  kept
          QD    LYS+ 106 - HB3   PRO   93  11.30 +/- 1.83   4.497% *  1.5384% (0.76  1.00   0.02   0.02) =   0.217%  kept
          HB    ILE   89 - HB3   PRO   93  10.78 +/- 1.69   8.089% *  0.7555% (0.38  1.00   0.02   0.02) =   0.191%  kept
          QD    LYS+  99 - HB3   PRO   93  19.63 +/- 1.18   0.512% *  1.6119% (0.80  1.00   0.02   0.02) =   0.026%
          HB3   LYS+  99 - HB3   PRO   93  20.66 +/- 1.09   0.432% *  1.6119% (0.80  1.00   0.02   0.02) =   0.022%
    Distance limit 3.46 A violated in 0 structures by 0.64 A, kept.
 
    Peak 2258 (2.07, 1.36, 34.10 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.01, residual support = 132.4:
      O   HB2   PRO   93 - HB3   PRO   93   1.75 +/- 0.00  94.533% * 99.4465% (0.80  10.0   6.01 132.40) =  99.997%  kept
          HG3   PRO   52 - HB3   PRO   93  10.24 +/- 3.72   1.467% *  0.0853% (0.69   1.0   0.02   0.02) =   0.001%
          HG2   PRO   58 - HB3   PRO   93  11.72 +/- 3.59   0.727% *  0.0853% (0.69   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HB3   PRO   93  11.12 +/- 2.91   0.758% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   PRO   93  12.79 +/- 3.65   1.601% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   PRO   93  10.04 +/- 1.86   0.735% *  0.0511% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   PRO   93  20.30 +/- 3.17   0.098% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   93  27.99 +/- 3.80   0.028% *  0.0949% (0.76   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   93  34.49 +/- 5.98   0.019% *  0.0994% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   PRO   93  24.95 +/- 1.10   0.034% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2259 (5.06, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 5.12, residual support = 132.4:
      O   HA    PRO   93 - HB3   PRO   93   2.50 +/- 0.21 100.000% *100.0000% (0.92  10.0   5.12 132.40) = 100.000%  kept
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2260 (6.87, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 0.02, residual support = 0.136:
          QD    PHE   45 - HB3   PRO   93   6.74 +/- 0.88 100.000% *100.0000% (0.76   0.02   0.14) = 100.000%  kept
    Distance limit 4.15 A violated in 17 structures by 2.59 A, eliminated.
    Peak unassigned.
 
    Peak 2263 (0.74, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.94, support = 2.01, residual support = 13.7:
          QD1   ILE   19 - HG2   GLN   30   4.46 +/- 1.18  50.023% * 80.8681% (0.95   2.13  14.75) =  92.645%  kept
          QG2   VAL   18 - HG2   GLN   30   8.72 +/- 2.03  18.268% * 16.7497% (0.90   0.47   0.02) =   7.008%  kept
          QG1   VAL   41 - HG2   GLN   30   8.11 +/- 2.66  20.312% *  0.3899% (0.49   0.02   0.02) =   0.181%  kept
          QG1   VAL   43 - HG2   GLN   30  10.86 +/- 1.92   6.146% *  0.5502% (0.69   0.02   0.02) =   0.077%
          QG2   THR   46 - HG2   GLN   30  14.64 +/- 2.80   3.546% *  0.7730% (0.97   0.02   0.02) =   0.063%
          QD2   LEU  104 - HG2   GLN   30  14.85 +/- 2.90   1.705% *  0.6691% (0.84   0.02   0.02) =   0.026%
    Distance limit 3.86 A violated in 1 structures by 0.38 A, kept.
 
    Peak 2264 (1.52, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 0.606, support = 0.746, residual support = 4.91:
        T QG2   THR   26 - HG2   GLN   30   2.91 +/- 0.73  78.191% * 87.3618% (0.61 10.00   0.75   4.94) =  99.418%  kept
        T HD3   LYS+  74 - HG2   GLN   30  12.60 +/- 3.41  15.446% *  2.1746% (0.57 10.00   0.02   0.02) =   0.489%  kept
        T QD    LYS+  66 - HG2   GLN   30  17.26 +/- 2.95   0.790% *  3.8324% (1.00 10.00   0.02   0.02) =   0.044%
        T HD2   LYS+ 121 - HG2   GLN   30  21.80 +/- 4.63   0.522% *  2.9354% (0.76 10.00   0.02   0.02) =   0.022%
        T HB3   LYS+ 121 - HG2   GLN   30  22.50 +/- 4.65   0.370% *  2.7891% (0.73 10.00   0.02   0.02) =   0.015%
          HB2   LYS+  74 - HG2   GLN   30  10.27 +/- 2.05   3.150% *  0.1310% (0.34  1.00   0.02   0.02) =   0.006%
          HG    LEU  104 - HG2   GLN   30  17.54 +/- 3.33   0.698% *  0.2789% (0.73  1.00   0.02   0.02) =   0.003%
          HG2   LYS+  65 - HG2   GLN   30  16.32 +/- 2.66   0.702% *  0.2638% (0.69  1.00   0.02   0.02) =   0.003%
          HB3   LYS+ 111 - HG2   GLN   30  27.30 +/- 2.84   0.131% *  0.2330% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2265 (0.36, 1.19, 32.81 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 7.03, residual support = 238.1:
      O T HG2   LYS+ 112 - HB3   LYS+ 112   2.75 +/- 0.25  92.230% * 99.8036% (0.95  10.0 10.00   7.03 238.14) =  99.992%  kept
          QB    ALA   47 - HB3   LYS+ 112  11.45 +/- 3.53   6.398% *  0.0946% (0.90   1.0  1.00   0.02   0.02) =   0.007%
          QG1   VAL   42 - HB3   LYS+ 112  12.96 +/- 2.44   1.373% *  0.1018% (0.97   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2266 (3.47, 1.19, 32.81 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 6.51, residual support = 238.1:
      O T HA    LYS+ 112 - HB3   LYS+ 112   2.80 +/- 0.27  94.894% * 99.8561% (0.73  10.0 10.00   6.51 238.14) =  99.998%  kept
          HB    THR   46 - HB3   LYS+ 112  13.53 +/- 4.30   4.328% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - HB3   LYS+ 112  16.71 +/- 1.39   0.512% *  0.0617% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB3   LYS+ 112  25.37 +/- 5.88   0.266% *  0.0516% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2267 (8.49, 1.19, 32.81 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.99, residual support = 238.1:
      O   HN    LYS+ 112 - HB3   LYS+ 112   2.46 +/- 0.48  96.358% * 99.7523% (0.97  10.0   5.99 238.14) =  99.999%  kept
          HN    THR   46 - HB3   LYS+ 112  14.51 +/- 3.54   1.529% *  0.0388% (0.38   1.0   0.02   0.02) =   0.001%
          HN    MET   92 - HB3   LYS+ 112  13.85 +/- 4.12   1.740% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   LYS+ 112  20.30 +/- 3.79   0.320% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+ 112  39.44 +/- 5.02   0.053% *  0.1031% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2268 (8.50, 1.37, 32.81 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 5.73, residual support = 238.1:
      O   HN    LYS+ 112 - HB2   LYS+ 112   3.06 +/- 0.55  89.580% * 99.6310% (0.84  10.0   5.73 238.14) =  99.996%  kept
          HN    LYS+  74 - HB    VAL   42   9.33 +/- 1.96   7.146% *  0.0310% (0.26   1.0   0.02   0.02) =   0.002%
          HN    LYS+ 112 - HB    VAL   42  17.43 +/- 2.48   0.666% *  0.0840% (0.70   1.0   0.02   0.02) =   0.001%
          HN    ASP-  78 - HB2   LYS+ 112  19.93 +/- 4.63   0.838% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB    VAL   42  16.03 +/- 1.56   0.918% *  0.0343% (0.29   1.0   0.02   0.16) =   0.000%
          HN    LYS+  74 - HB2   LYS+ 112  19.84 +/- 3.85   0.588% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    VAL   42  26.99 +/- 3.15   0.205% *  0.0651% (0.55   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+ 112  39.04 +/- 5.03   0.058% *  0.0772% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2269 (5.28, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.823, support = 1.95, residual support = 3.69:
          HA    PHE   72 - HB    VAL   42   5.99 +/- 2.18  59.300% * 92.2662% (0.85   2.00   3.84) =  95.919%  kept
          HA    MET   96 - HB    VAL   42   9.01 +/- 2.75  33.270% *  6.9348% (0.19   0.66   0.02) =   4.045%  kept
          HA    PHE   72 - HB2   LYS+ 112  20.51 +/- 4.39   1.903% *  0.6511% (0.60   0.02   0.02) =   0.022%
          HA    MET   96 - HB2   LYS+ 112  15.45 +/- 1.95   5.526% *  0.1479% (0.14   0.02   0.02) =   0.014%
    Distance limit 3.83 A violated in 14 structures by 1.89 A, kept.
 
    Peak 2270 (8.95, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 6.09, residual support = 86.6:
      O   HN    VAL   42 - HB    VAL   42   2.80 +/- 0.39  74.778% * 86.4479% (0.80  10.0   6.21  89.91) =  96.255%  kept
          HN    LEU   73 - HB    VAL   42   6.61 +/- 1.83  18.912% * 13.2824% (0.80   1.0   3.07   0.49) =   3.740%  kept
          HN    LYS+ 106 - HB    VAL   42  11.91 +/- 3.15   2.742% *  0.0606% (0.56   1.0   0.02   0.02) =   0.002%
          HN    ILE   19 - HB    VAL   42  10.61 +/- 2.52   2.091% *  0.0260% (0.24   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HB2   LYS+ 112  15.24 +/- 2.04   0.611% *  0.0428% (0.40   1.0   0.02   0.02) =   0.000%
          HN    LEU   73 - HB2   LYS+ 112  20.00 +/- 4.10   0.353% *  0.0610% (0.57   1.0   0.02   0.02) =   0.000%
          HN    VAL   42 - HB2   LYS+ 112  18.88 +/- 2.75   0.328% *  0.0610% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HB2   LYS+ 112  23.40 +/- 3.79   0.184% *  0.0184% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2271 (7.30, 1.39, 32.90 ppm):
    10 chemical-shift based assignments, quality = 0.567, support = 1.83, residual support = 4.46:
          QD    PHE   60 - HB    VAL   42   6.86 +/- 2.13  22.583% * 71.9293% (0.66   2.13   5.57) =  77.444%  kept
          QD    PHE   55 - HB2   LYS+ 112   5.51 +/- 3.43  38.355% *  5.6100% (0.12   0.91   1.20) =  10.259%  kept
          HE3   TRP   27 - HB    VAL   42   8.84 +/- 1.76  12.573% * 10.3212% (0.22   0.94   0.31) =   6.187%  kept
          QD    PHE   60 - HB2   LYS+ 112  10.94 +/- 2.99  12.489% *  9.8989% (0.47   0.42   0.02) =   5.894%  kept
          HN    LYS+  66 - HB    VAL   42  10.54 +/- 2.19   7.240% *  0.2454% (0.24   0.02   0.02) =   0.085%
          HN    LYS+  81 - HB    VAL   42  18.13 +/- 3.23   1.528% *  0.8747% (0.86   0.02   0.02) =   0.064%
          HN    LYS+  81 - HB2   LYS+ 112  22.91 +/- 4.15   1.189% *  0.6173% (0.61   0.02   0.02) =   0.035%
          HN    LYS+  66 - HB2   LYS+ 112  16.90 +/- 2.87   2.006% *  0.1732% (0.17   0.02   0.02) =   0.017%
          QD    PHE   55 - HB    VAL   42  16.36 +/- 1.84   1.189% *  0.1747% (0.17   0.02   0.02) =   0.010%
          HE3   TRP   27 - HB2   LYS+ 112  22.54 +/- 3.70   0.849% *  0.1553% (0.15   0.02   0.02) =   0.006%
    Distance limit 4.03 A violated in 1 structures by 0.26 A, kept.
 
    Peak 2272 (6.71, 1.39, 32.90 ppm):
    6 chemical-shift based assignments, quality = 0.486, support = 0.761, residual support = 3.84:
        T QD    PHE   72 - HB    VAL   42   4.39 +/- 1.33  55.017% * 79.8658% (0.46 10.00   0.74   3.84) =  90.566%  kept
          HZ    PHE   72 - HB    VAL   42   6.61 +/- 2.32  24.951% * 18.1113% (0.78  1.00   0.98   3.84) =   9.314%  kept
        T QD    PHE   72 - HB2   LYS+ 112  16.30 +/- 2.80   2.081% *  1.5242% (0.32 10.00   0.02   0.02) =   0.065%
          QE    PHE   45 - HB    VAL   42   9.16 +/- 1.61  13.237% *  0.1400% (0.30  1.00   0.02   0.02) =   0.038%
          HZ    PHE   72 - HB2   LYS+ 112  16.85 +/- 3.14   1.883% *  0.2598% (0.55  1.00   0.02   0.02) =   0.010%
          QE    PHE   45 - HB2   LYS+ 112  15.03 +/- 2.65   2.831% *  0.0988% (0.21  1.00   0.02   0.02) =   0.006%
    Distance limit 3.95 A violated in 4 structures by 0.66 A, kept.
 
    Peak 2273 (8.88, 4.14, 45.70 ppm):
    2 chemical-shift based assignments, quality = 0.135, support = 2.86, residual support = 15.4:
      O   HN    GLY  101 - HA1   GLY  101   2.72 +/- 0.17  98.068% * 99.2681% (0.14  10.0   2.86  15.43) =  99.985%  kept
          HN    LEU   40 - HA1   GLY  101  15.22 +/- 7.62   1.932% *  0.7319% (1.00   1.0   0.02   0.02) =   0.015%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2274 (8.87, 3.52, 45.70 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 2.86, residual support = 15.4:
      O   HN    GLY  101 - HA2   GLY  101   2.74 +/- 0.24  98.556% * 99.7871% (0.38  10.0   2.86  15.43) =  99.997%  kept
          HN    LEU   40 - HA2   GLY  101  15.55 +/- 7.47   1.444% *  0.2129% (0.80   1.0   0.02   0.02) =   0.003%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2275 (8.24, 4.31, 53.06 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 1.72, residual support = 5.15:
      O   HN    SER   13 - HA    ALA   12   2.61 +/- 0.38  99.056% * 99.9814% (0.84  10.0   1.72   5.15) = 100.000%  kept
          HN    VAL   18 - HA    ALA   12  14.46 +/- 2.08   0.944% *  0.0186% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2276 (8.38, 4.31, 53.06 ppm):
    4 chemical-shift based assignments, quality = 0.85, support = 2.38, residual support = 12.4:
      O   HN    ALA   12 - HA    ALA   12   2.78 +/- 0.14  99.188% * 99.8617% (0.85  10.0   2.38  12.37) = 100.000%  kept
          HN    ASN   35 - HA    ALA   12  18.25 +/- 4.44   0.538% *  0.0618% (0.53   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ALA   12  27.71 +/- 4.49   0.203% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ALA   12  33.81 +/- 4.11   0.072% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2277 (8.36, 1.39, 19.22 ppm):
    4 chemical-shift based assignments, quality = 0.46, support = 2.3, residual support = 12.4:
      O   HN    ALA   12 - QB    ALA   12   2.79 +/- 0.20  97.354% * 99.7294% (0.46  10.0   2.30  12.37) =  99.997%  kept
          HN    ASN   35 - QB    ALA   12  15.07 +/- 3.51   1.241% *  0.1891% (0.87   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - QB    ALA   12  21.10 +/- 5.47   1.094% *  0.0456% (0.21   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - QB    ALA   12  22.23 +/- 4.67   0.311% *  0.0359% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2278 (8.39, 4.29, 56.56 ppm):
    8 chemical-shift based assignments, quality = 0.647, support = 3.5, residual support = 12.1:
      O   HN    ALA   12 - HA    MET   11   2.42 +/- 0.14  93.835% * 99.5700% (0.65  10.0   3.50  12.05) =  99.998%  kept
          HN    ALA   12 - HA    GLU-  14   7.83 +/- 0.72   3.228% *  0.0391% (0.25   1.0   0.02   0.02) =   0.001%
          HN    ASN   35 - HA    GLU-  14  15.67 +/- 4.19   2.349% *  0.0134% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    MET   11  19.97 +/- 4.46   0.272% *  0.0343% (0.22   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    MET   11  30.14 +/- 4.43   0.073% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU-  14  24.17 +/- 3.65   0.147% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    MET   11  36.26 +/- 4.57   0.037% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    GLU-  14  29.88 +/- 3.60   0.058% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2279 (8.38, 1.92, 30.22 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 3.58, residual support = 12.0:
          HN    ALA   12 - HG3   MET   11   4.33 +/- 0.28  77.929% * 98.7301% (0.97   3.58  12.05) =  99.947%  kept
          HN    ALA   12 - HB3   GLU-  14   8.44 +/- 1.19  15.044% *  0.1956% (0.34   0.02   0.02) =   0.038%
          HN    ASN   35 - HG3   MET   11  20.60 +/- 4.77   1.447% *  0.3233% (0.57   0.02   0.02) =   0.006%
          HN    ASN   35 - HB3   GLU-  14  15.62 +/- 4.10   3.782% *  0.1148% (0.20   0.02   0.02) =   0.006%
          HN    PHE   97 - HG3   MET   11  30.84 +/- 4.72   0.336% *  0.2347% (0.41   0.02   0.02) =   0.001%
          HN    PHE   97 - HB3   GLU-  14  23.81 +/- 3.57   0.933% *  0.0833% (0.15   0.02   0.02) =   0.001%
          HN    LEU  115 - HG3   MET   11  37.00 +/- 4.86   0.167% *  0.2347% (0.41   0.02   0.02) =   0.001%
          HN    LEU  115 - HB3   GLU-  14  29.48 +/- 4.26   0.361% *  0.0833% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2280 (8.32, 4.41, 58.75 ppm):
    18 chemical-shift based assignments, quality = 0.923, support = 2.09, residual support = 6.6:
      O   HN    GLU-  14 - HA    SER   13   2.53 +/- 0.31  87.708% * 99.1146% (0.92  10.0   2.09   6.60) =  99.993%  kept
          HN    LYS+  99 - HA    SER   13  23.70 +/- 6.10   1.474% *  0.0780% (0.73   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HA    THR   46  19.72 +/- 3.37   1.477% *  0.0520% (0.48   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HA    SER   37  14.78 +/- 5.40   1.119% *  0.0530% (0.49   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    SER   37  25.53 +/- 5.81   1.124% *  0.0417% (0.39   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HA    SER   13  16.60 +/- 3.22   0.517% *  0.0860% (0.80   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HA    SER   37  13.13 +/- 1.30   0.875% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   46  13.88 +/- 2.28   0.762% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    THR   46  20.73 +/- 3.76   1.692% *  0.0201% (0.19   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   37  17.21 +/- 6.53   0.619% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   37  21.40 +/- 6.18   0.540% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   46  17.09 +/- 2.70   0.389% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   13  28.49 +/- 5.54   0.216% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   13  18.20 +/- 3.43   0.475% *  0.0331% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   46  19.39 +/- 1.84   0.246% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   13  24.84 +/- 4.25   0.126% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   37  15.13 +/- 1.16   0.519% *  0.0177% (0.16   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    THR   46  26.66 +/- 4.29   0.122% *  0.0600% (0.56   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2281 (8.93, 4.41, 58.75 ppm):
    9 chemical-shift based assignments, quality = 0.613, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    SER   13  12.52 +/- 1.63  15.455% * 21.8157% (0.99   0.02   0.02) =  30.362%  kept
          HN    ILE   19 - HA    SER   37  13.32 +/- 3.04  14.802% * 11.6574% (0.53   0.02   0.02) =  15.538%  kept
          HN    LEU   73 - HA    THR   46  13.42 +/- 1.70  13.333% *  7.5418% (0.34   0.02   0.02) =   9.055%  kept
          HN    VAL   42 - HA    THR   46  13.14 +/- 1.03  13.180% *  7.5418% (0.34   0.02   0.02) =   8.951%  kept
          HN    ILE   19 - HA    THR   46  17.04 +/- 3.43   7.170% * 13.2032% (0.60   0.02   0.02) =   8.525%  kept
          HN    LEU   73 - HA    SER   13  17.63 +/- 4.21   6.857% * 12.4613% (0.57   0.02   0.02) =   7.695%  kept
          HN    LEU   73 - HA    SER   37  14.03 +/- 2.65  12.583% *  6.6588% (0.30   0.02   0.02) =   7.545%  kept
          HN    VAL   42 - HA    SER   37  13.28 +/- 0.99  12.097% *  6.6588% (0.30   0.02   0.02) =   7.254%  kept
          HN    VAL   42 - HA    SER   13  20.15 +/- 3.88   4.523% * 12.4613% (0.57   0.02   0.02) =   5.075%  kept
    Distance limit 3.43 A violated in 20 structures by 5.68 A, eliminated.
    Peak unassigned.
 
    Peak 2282 (7.91, 3.88, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.828, support = 3.8, residual support = 29.7:
      O   HN    SER   37 - HB3   SER   37   2.95 +/- 0.58  91.144% * 99.5355% (0.83  10.0   3.80  29.69) =  99.994%  kept
          HN    SER   37 - QB    SER   13  13.94 +/- 4.36   4.751% *  0.0762% (0.63   1.0   0.02   0.02) =   0.004%
          HN    ILE   89 - HB3   SER   37  23.88 +/- 3.95   0.465% *  0.0984% (0.82   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - QB    SER   13  14.27 +/- 2.44   1.560% *  0.0288% (0.24   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB3   SER   37  14.95 +/- 2.79   1.076% *  0.0377% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    SER   13  25.95 +/- 4.71   0.425% *  0.0753% (0.63   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   SER   37  23.86 +/- 3.85   0.331% *  0.0839% (0.70   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    SER   13  25.82 +/- 4.10   0.248% *  0.0642% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2283 (4.34, 1.92, 30.50 ppm):
    8 chemical-shift based assignments, quality = 0.653, support = 0.02, residual support = 0.02:
          HA    PHE   59 - HB3   GLU-  14  23.42 +/- 4.41  23.226% * 22.8936% (0.69   0.02   0.02) =  34.066%  kept
          HA    TRP   87 - HB3   GLU-  14  26.73 +/- 4.63  14.610% * 33.2545% (1.00   0.02   0.02) =  31.128%  kept
          HA    LEU  104 - HB3   GLU-  14  25.18 +/- 4.93  19.046% * 12.5086% (0.38   0.02   0.02) =  15.263%  kept
          HA    TRP   87 - HG3   MET   11  33.05 +/- 7.44  11.237% * 11.8063% (0.35   0.02   0.02) =   8.500%  kept
          HA    PHE   59 - HG3   MET   11  31.20 +/- 4.85   9.946% *  8.1279% (0.24   0.02   0.02) =   5.179%  kept
          HA    ASP- 113 - HB3   GLU-  14  32.10 +/- 4.92   8.891% *  5.1424% (0.15   0.02   0.02) =   2.929%  kept
          HA    LEU  104 - HG3   MET   11  31.71 +/- 5.57   8.408% *  4.4409% (0.13   0.02   0.02) =   2.392%  kept
          HA    ASP- 113 - HG3   MET   11  39.45 +/- 5.48   4.637% *  1.8257% (0.05   0.02   0.02) =   0.542%  kept
    Distance limit 3.63 A violated in 20 structures by 14.57 A, eliminated.
    Peak unassigned.
 
    Peak 2285 (8.33, 1.92, 30.50 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 3.89, residual support = 45.0:
      O   HN    GLU-  14 - HB3   GLU-  14   3.32 +/- 0.31  89.758% * 99.5831% (0.92  10.0   3.89  45.05) =  99.996%  kept
          HN    GLU-  14 - HG3   MET   11   9.97 +/- 1.02   4.174% *  0.0354% (0.33   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HB3   GLU-  14  22.12 +/- 5.33   0.817% *  0.1079% (1.00   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HB3   GLU-  14  15.20 +/- 3.11   1.590% *  0.0368% (0.34   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB3   GLU-  14  22.64 +/- 3.49   0.381% *  0.1069% (0.99   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HG3   MET   11  20.96 +/- 4.66   1.770% *  0.0131% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  14  26.54 +/- 4.87   0.338% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   MET   11  28.52 +/- 6.23   0.239% *  0.0383% (0.36   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   MET   11  32.48 +/- 8.07   0.754% *  0.0106% (0.10   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   MET   11  30.07 +/- 5.11   0.178% *  0.0380% (0.35   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2286 (8.34, 2.08, 30.50 ppm):
    12 chemical-shift based assignments, quality = 0.487, support = 3.89, residual support = 45.0:
      O   HN    GLU-  14 - HB2   GLU-  14   3.09 +/- 0.65  86.137% * 99.3938% (0.49  10.0   3.89  45.05) =  99.992%  kept
          HN    ASN   35 - HB2   GLU-  14  15.79 +/- 4.31   3.014% *  0.0839% (0.41   1.0   0.02   0.02) =   0.003%
          HN    GLU-  14 - HG2   MET   11   9.51 +/- 0.94   5.053% *  0.0372% (0.18   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HB2   GLU-  14  22.34 +/- 5.33   0.736% *  0.1483% (0.73   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   ARG+  54  17.27 +/- 4.66   2.976% *  0.0194% (0.10   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   GLU-  14  22.83 +/- 3.20   0.286% *  0.1321% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   11  20.47 +/- 4.89   0.809% *  0.0314% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   MET   11  28.22 +/- 6.27   0.258% *  0.0555% (0.27   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   MET   11  29.67 +/- 5.24   0.136% *  0.0495% (0.24   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ARG+  54  26.13 +/- 3.67   0.182% *  0.0218% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ARG+  54  28.97 +/- 4.85   0.281% *  0.0123% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ARG+  54  31.18 +/- 5.08   0.132% *  0.0146% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2289 (8.65, 4.41, 56.54 ppm):
    9 chemical-shift based assignments, quality = 0.965, support = 2.05, residual support = 5.59:
      O   HN    GLY   16 - HA    GLU-  15   2.62 +/- 0.30  78.990% * 99.5949% (0.97  10.0   2.05   5.59) =  99.992%  kept
          HN    GLY   16 - HA    ASN   35  12.93 +/- 4.68  16.646% *  0.0185% (0.18   1.0   0.02   0.02) =   0.004%
          HN    SER   82 - HA    GLU-  15  23.93 +/- 5.83   1.693% *  0.0709% (0.69   1.0   0.02   0.02) =   0.002%
          HN    GLY   16 - HA    LEU   40  13.07 +/- 4.11   1.369% *  0.0805% (0.78   1.0   0.02   0.02) =   0.001%
          HN    SER   82 - HA    LEU   40  21.65 +/- 4.79   0.379% *  0.0573% (0.56   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    LEU   40  19.73 +/- 3.36   0.290% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    GLU-  15  26.77 +/- 4.20   0.106% *  0.0826% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ASN   35  24.29 +/- 6.18   0.404% *  0.0131% (0.13   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    ASN   35  26.37 +/- 3.58   0.123% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2290 (8.81, 4.13, 56.27 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.68, residual support = 94.6:
      O   HN    ASN   28 - HA    ASN   28   2.72 +/- 0.05  99.567% * 99.8927% (0.84  10.0   5.68  94.63) = 100.000%  kept
          HN    ASN   69 - HA    ASN   28  18.62 +/- 2.49   0.433% *  0.1073% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2291 (1.36, 4.13, 56.27 ppm):
    16 chemical-shift based assignments, quality = 0.374, support = 2.55, residual support = 19.4:
        T HB2   LEU   31 - HA    ASN   28   3.69 +/- 0.36  64.088% * 92.7570% (0.38 10.00   2.56  19.47) =  99.757%  kept
          HB3   LEU   73 - HA    ASN   28   9.46 +/- 2.13   5.484% *  0.9338% (0.38  1.00   0.20   1.21) =   0.086%
        T QB    ALA   84 - HA    ASN   28  14.31 +/- 3.50   1.799% *  2.4660% (1.00 10.00   0.02   0.02) =   0.074%
          HG    LEU   98 - HA    ASN   28  13.28 +/- 4.62   7.882% *  0.2385% (0.97  1.00   0.02   0.02) =   0.032%
        T QB    ALA  124 - HA    ASN   28  24.15 +/- 4.57   0.325% *  2.2165% (0.90 10.00   0.02   0.02) =   0.012%
          HB3   ASP-  44 - HA    ASN   28  15.19 +/- 2.53   2.398% *  0.1889% (0.76  1.00   0.02   0.02) =   0.008%
          HB3   LEU   80 - HA    ASN   28  15.37 +/- 5.73   3.003% *  0.1300% (0.53  1.00   0.02   1.11) =   0.007%
          HG3   LYS+  33 - HA    ASN   28   8.70 +/- 1.02   5.690% *  0.0616% (0.25  1.00   0.02   0.02) =   0.006%
          HB2   LEU   63 - HA    ASN   28  17.26 +/- 3.58   1.550% *  0.1599% (0.65  1.00   0.02   0.02) =   0.004%
          HB3   PRO   93 - HA    ASN   28  20.51 +/- 3.51   0.862% *  0.2471% (1.00  1.00   0.02   0.02) =   0.004%
          HB    VAL   42 - HA    ASN   28  12.75 +/- 1.70   2.234% *  0.0763% (0.31  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HA    ASN   28  16.97 +/- 3.13   1.039% *  0.1499% (0.61  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HA    ASN   28  18.57 +/- 4.40   1.790% *  0.0763% (0.31  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HA    ASN   28  18.29 +/- 5.52   1.172% *  0.1016% (0.41  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HA    ASN   28  26.30 +/- 4.54   0.427% *  0.1203% (0.49  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    ASN   28  27.04 +/- 3.63   0.260% *  0.0763% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2292 (0.79, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.61, support = 3.96, residual support = 19.0:
          HG    LEU   31 - HA    ASN   28   3.14 +/- 1.07  81.089% * 87.8361% (0.61   4.06  19.47) =  97.472%  kept
          QD2   LEU   73 - HA    ASN   28   7.25 +/- 2.23  16.987% * 10.8192% (0.76   0.40   1.21) =   2.515%  kept
          QD1   ILE   56 - HA    ASN   28  19.15 +/- 3.66   0.733% *  0.6890% (0.97   0.02   0.02) =   0.007%
          HG3   LYS+ 121 - HA    ASN   28  23.14 +/- 5.37   0.676% *  0.5456% (0.76   0.02   0.02) =   0.005%
          QD2   LEU  123 - HA    ASN   28  22.41 +/- 3.81   0.516% *  0.1102% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.83 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2293 (8.65, 3.96, 45.84 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 2.69, residual support = 5.38:
      O   HN    GLY   16 - HA2   GLY   16   2.86 +/- 0.14  98.999% * 99.8461% (0.97  10.0   2.69   5.38) =  99.999%  kept
          HN    SER   82 - HA2   GLY   16  25.12 +/- 6.22   0.784% *  0.0711% (0.69   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HA2   GLY   16  25.52 +/- 5.16   0.218% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2294 (7.70, 3.96, 45.84 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.25, residual support = 17.1:
      O   HN    GLN   17 - HA2   GLY   16   3.45 +/- 0.07  84.836% * 99.5709% (0.65  10.0   3.26  17.13) =  99.986%  kept
          HD21  ASN   69 - HA2   GLY   16  12.45 +/- 6.90   8.871% *  0.0690% (0.45   1.0   0.02   0.02) =   0.007%
          HE3   TRP   87 - HA2   GLY   16  22.38 +/- 5.49   2.434% *  0.1232% (0.80   1.0   0.02   0.02) =   0.004%
          HN    TRP   87 - HA2   GLY   16  24.21 +/- 5.88   1.841% *  0.0749% (0.49   1.0   0.02   0.02) =   0.002%
          HN    ALA   61 - HA2   GLY   16  18.45 +/- 4.53   0.939% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - HA2   GLY   16  26.63 +/- 5.44   0.377% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA2   GLY   16  17.68 +/- 1.63   0.702% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2295 (7.70, 4.04, 45.84 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.25, residual support = 17.1:
      O   HN    GLN   17 - HA1   GLY   16   3.23 +/- 0.09  82.590% * 99.5709% (0.65  10.0   3.26  17.13) =  99.984%  kept
          HD21  ASN   69 - HA1   GLY   16  11.55 +/- 6.78  11.520% *  0.0690% (0.45   1.0   0.02   0.02) =   0.010%
          HE3   TRP   87 - HA1   GLY   16  21.22 +/- 5.26   1.851% *  0.1232% (0.80   1.0   0.02   0.02) =   0.003%
          HN    TRP   87 - HA1   GLY   16  23.11 +/- 5.86   2.112% *  0.0749% (0.49   1.0   0.02   0.02) =   0.002%
          HN    ALA   61 - HA1   GLY   16  17.72 +/- 4.34   0.820% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - HA1   GLY   16  25.63 +/- 5.41   0.432% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA1   GLY   16  16.73 +/- 1.86   0.676% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2296 (8.64, 4.04, 45.84 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 2.69, residual support = 5.38:
      O   HN    GLY   16 - HA1   GLY   16   2.31 +/- 0.13  98.122% * 99.6694% (0.57  10.0   2.69   5.38) =  99.997%  kept
          HN    SER   82 - HA1   GLY   16  24.20 +/- 6.52   1.198% *  0.1757% (1.00   1.0   0.02   0.02) =   0.002%
          HN    GLN   90 - HA1   GLY   16  24.57 +/- 5.67   0.304% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA1   GLY   16  20.54 +/- 4.95   0.261% *  0.0348% (0.20   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA1   GLY   16  24.76 +/- 4.87   0.115% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2297 (1.80, 2.21, 33.80 ppm):
    18 chemical-shift based assignments, quality = 0.582, support = 4.32, residual support = 84.7:
      O T HB3   GLN   17 - QG    GLN   17   2.39 +/- 0.13  66.337% * 91.7799% (0.58  10.0 10.00   4.31  84.92) =  99.536%  kept
          HB2   LEU   71 - HB    VAL   70   6.55 +/- 0.46   3.521% *  7.0518% (0.15   1.0  1.00   5.85  33.57) =   0.406%  kept
          HB2   LEU   71 - QG    GLN   17   9.10 +/- 4.75   4.260% *  0.4713% (0.75   1.0  1.00   0.08   0.02) =   0.033%
          QB    LYS+  65 - QG    GLN   17  10.32 +/- 4.80   8.626% *  0.1159% (0.74   1.0  1.00   0.02   0.02) =   0.016%
        T HB3   GLN   17 - HB    VAL   70  11.88 +/- 3.95   0.947% *  0.1880% (0.12   1.0 10.00   0.02   0.02) =   0.003%
          QB    LYS+ 102 - QG    GLN   17  17.78 +/- 4.91   0.921% *  0.1077% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - QG    GLN   17  11.12 +/- 3.79   1.614% *  0.0494% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QG    GLN   17  12.46 +/- 3.28   1.411% *  0.0299% (0.19   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HB    VAL   70   8.27 +/- 0.59   1.696% *  0.0237% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - QG    GLN   17  17.54 +/- 4.91   1.629% *  0.0185% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB    VAL   70   7.21 +/- 0.85   2.854% *  0.0101% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    GLN   17  16.07 +/- 5.24   1.468% *  0.0185% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB    VAL   70   8.75 +/- 2.27   2.657% *  0.0061% (0.04   1.0  1.00   0.02   2.62) =   0.000%
          HG2   PRO   93 - QG    GLN   17  21.62 +/- 4.04   0.123% *  0.0825% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB    VAL   70  17.08 +/- 4.53   0.333% *  0.0221% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB    VAL   70  18.24 +/- 2.90   0.229% *  0.0169% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB    VAL   70  13.86 +/- 5.84   0.850% *  0.0038% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB    VAL   70  15.61 +/- 4.35   0.524% *  0.0038% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2298 (7.70, 2.21, 33.80 ppm):
    14 chemical-shift based assignments, quality = 0.478, support = 5.55, residual support = 82.6:
          HN    GLN   17 - QG    GLN   17   3.13 +/- 0.80  59.659% * 88.7156% (0.49   5.61  84.92) =  96.112%  kept
          HD21  ASN   69 - HB    VAL   70   5.76 +/- 1.31  22.004% *  9.6208% (0.07   4.28  26.32) =   3.844%  kept
          HD21  ASN   69 - QG    GLN   17  11.76 +/- 5.03   2.868% *  0.2194% (0.34   0.02   0.02) =   0.011%
          HN    ALA   61 - QG    GLN   17  13.88 +/- 4.28   1.966% *  0.2382% (0.37   0.02   0.02) =   0.009%
          HE3   TRP   87 - QG    GLN   17  18.58 +/- 3.96   0.862% *  0.3918% (0.61   0.02   0.02) =   0.006%
          HN    GLN   17 - HB    VAL   70  11.37 +/- 4.19   4.380% *  0.0648% (0.10   0.02   0.02) =   0.005%
          HN    TRP   87 - QG    GLN   17  19.90 +/- 3.93   0.763% *  0.2382% (0.37   0.02   0.02) =   0.003%
          HN    ALA   61 - HB    VAL   70  10.22 +/- 1.16   2.951% *  0.0488% (0.08   0.02   0.02) =   0.003%
          HN    ALA   91 - QG    GLN   17  21.56 +/- 4.28   0.712% *  0.2012% (0.31   0.02   0.02) =   0.003%
          HN    TRP   27 - QG    GLN   17  13.63 +/- 1.61   1.724% *  0.0755% (0.12   0.02   0.02) =   0.002%
          HE3   TRP   87 - HB    VAL   70  17.80 +/- 3.79   0.685% *  0.0803% (0.13   0.02   0.02) =   0.001%
          HN    TRP   87 - HB    VAL   70  19.65 +/- 2.91   0.397% *  0.0488% (0.08   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    VAL   70  19.65 +/- 2.55   0.341% *  0.0412% (0.06   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    VAL   70  15.64 +/- 1.51   0.688% *  0.0155% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2299 (8.27, 2.21, 33.80 ppm):
    6 chemical-shift based assignments, quality = 0.762, support = 5.8, residual support = 50.0:
          HN    VAL   18 - QG    GLN   17   3.05 +/- 0.89  86.135% * 99.7447% (0.76   5.80  50.04) =  99.989%  kept
          HN    SER   13 - QG    GLN   17   9.53 +/- 1.46   6.442% *  0.0767% (0.17   0.02   0.02) =   0.006%
          HN    VAL   18 - HB    VAL   70   9.75 +/- 3.78   4.587% *  0.0704% (0.16   0.02   0.02) =   0.004%
          HN    GLU-  29 - QG    GLN   17  14.62 +/- 2.20   1.368% *  0.0767% (0.17   0.02   0.02) =   0.001%
          HN    GLU-  29 - HB    VAL   70  17.01 +/- 1.64   1.010% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HN    SER   13 - HB    VAL   70  19.72 +/- 3.69   0.458% *  0.0157% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2300 (7.70, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.27, residual support = 84.9:
      O   HN    GLN   17 - HB3   GLN   17   3.16 +/- 0.35  90.118% * 99.5709% (0.65  10.0   5.27  84.92) =  99.992%  kept
          HE3   TRP   87 - HB3   GLN   17  21.17 +/- 4.77   2.101% *  0.1232% (0.80   1.0   0.02   0.02) =   0.003%
          HD21  ASN   69 - HB3   GLN   17  13.02 +/- 5.48   3.350% *  0.0690% (0.45   1.0   0.02   0.02) =   0.003%
          HN    ALA   61 - HB3   GLN   17  15.85 +/- 4.43   1.698% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HN    TRP   87 - HB3   GLN   17  22.65 +/- 4.67   1.070% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - HB3   GLN   17  24.54 +/- 4.94   0.596% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   GLN   17  15.17 +/- 1.44   1.066% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2301 (8.27, 1.79, 31.50 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 5.46, residual support = 50.0:
          HN    VAL   18 - HB3   GLN   17   3.31 +/- 0.69  93.330% * 99.8369% (1.00   5.46  50.04) =  99.994%  kept
          HN    SER   13 - HB3   GLN   17  10.25 +/- 1.34   5.251% *  0.0815% (0.22   0.02   0.02) =   0.005%
          HN    GLU-  29 - HB3   GLN   17  16.25 +/- 2.15   1.419% *  0.0815% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2302 (1.80, 4.42, 54.38 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 3.99, residual support = 84.8:
      O T HB3   GLN   17 - HA    GLN   17   2.71 +/- 0.24  69.225% * 98.2677% (0.76  10.0 10.00   4.00  84.92) =  99.828%  kept
          QB    LYS+  65 - HA    GLN   17  11.04 +/- 5.22   7.571% *  1.2780% (0.97   1.0  1.00   0.21   0.02) =   0.142%  kept
          HB2   LEU   71 - HA    GLN   17   9.03 +/- 5.31  13.000% *  0.1260% (0.98   1.0  1.00   0.02   0.02) =   0.024%
          QB    LYS+  66 - HA    GLN   17  11.54 +/- 4.47   2.990% *  0.0529% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+ 102 - HA    GLN   17  19.26 +/- 5.05   0.890% *  0.1153% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   41 - HA    GLN   17  12.90 +/- 3.57   2.964% *  0.0321% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - HA    GLN   17  17.07 +/- 5.93   2.304% *  0.0198% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HA    GLN   17  18.80 +/- 5.39   0.909% *  0.0198% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    GLN   17  23.45 +/- 4.57   0.147% *  0.0883% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2303 (1.80, 2.01, 31.84 ppm):
    27 chemical-shift based assignments, quality = 0.185, support = 4.13, residual support = 84.9:
      O T HB3   GLN   17 - HB2   GLN   17   1.75 +/- 0.00  83.162% * 94.0226% (0.18  10.0 10.00   4.13  84.92) =  99.936%  kept
        T HB3   GLN   17 - QB    GLU-  15   6.30 +/- 0.73   2.164% *  1.0553% (0.21   1.0 10.00   0.02   0.02) =   0.029%
        T HB3   GLN   17 - HB3   PRO   68  14.29 +/- 5.58   0.447% *  2.3590% (0.46   1.0 10.00   0.02   0.02) =   0.013%
          QB    LYS+  66 - HB3   PRO   68   6.54 +/- 2.03   4.326% *  0.1269% (0.25   1.0  1.00   0.02   0.02) =   0.007%
          HB2   LEU   71 - QB    GLU-  15   9.57 +/- 5.66   1.748% *  0.1354% (0.27   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  65 - HB3   PRO   68   9.00 +/- 1.06   0.719% *  0.2979% (0.59   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  65 - HB2   GLN   17  11.55 +/- 4.73   1.346% *  0.1187% (0.23   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - HB2   GLN   17   9.81 +/- 4.81   1.215% *  0.1206% (0.24   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - HB3   PRO   68  10.87 +/- 1.35   0.430% *  0.3026% (0.59   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  65 - QB    GLU-  15  14.63 +/- 3.64   0.264% *  0.1333% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   GLN   17  20.16 +/- 5.10   0.270% *  0.1103% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   GLN   17  12.33 +/- 3.58   0.489% *  0.0506% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   PRO   68  21.83 +/- 5.30   0.079% *  0.2768% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QB    GLU-  15  18.05 +/- 4.29   0.165% *  0.1238% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   GLN   17  13.94 +/- 3.46   0.617% *  0.0307% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    GLU-  15  14.57 +/- 3.20   0.301% *  0.0568% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   PRO   68  15.35 +/- 2.22   0.155% *  0.0770% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QB    GLU-  15  13.33 +/- 3.10   0.345% *  0.0344% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   PRO   68  22.65 +/- 3.05   0.053% *  0.2120% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   GLN   17  18.18 +/- 5.80   0.515% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   68  18.97 +/- 6.80   0.197% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    GLU-  15  16.60 +/- 5.19   0.371% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   GLN   17  19.89 +/- 5.11   0.330% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   GLN   17  24.46 +/- 4.26   0.045% *  0.0845% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QB    GLU-  15  25.79 +/- 4.30   0.037% *  0.0949% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   PRO   68  21.66 +/- 4.53   0.070% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QB    GLU-  15  18.94 +/- 4.19   0.142% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2304 (4.75, 2.01, 31.84 ppm):
    3 chemical-shift based assignments, quality = 0.187, support = 2.96, residual support = 36.3:
      O   HA    PRO   68 - HB3   PRO   68   2.41 +/- 0.19  95.263% * 99.9155% (0.19  10.0   2.96  36.33) =  99.998%  kept
          HA    PRO   68 - QB    GLU-  15  13.76 +/- 5.32   2.384% *  0.0447% (0.08   1.0   0.02   0.02) =   0.001%
          HA    PRO   68 - HB2   GLN   17  12.40 +/- 5.70   2.354% *  0.0398% (0.07   1.0   0.02   0.02) =   0.001%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2305 (8.27, 2.01, 31.84 ppm):
    9 chemical-shift based assignments, quality = 0.241, support = 5.46, residual support = 50.0:
          HN    VAL   18 - HB2   GLN   17   3.21 +/- 0.66  66.464% * 97.9571% (0.24   5.46  50.04) =  99.826%  kept
          HN    VAL   18 - HB3   PRO   68  13.05 +/- 5.25   7.291% *  0.8995% (0.61   0.02   0.02) =   0.101%  kept
          HN    VAL   18 - QB    GLU-  15   8.03 +/- 0.75   7.627% *  0.4024% (0.27   0.02   0.02) =   0.047%
          HN    SER   13 - QB    GLU-  15   6.63 +/- 1.08  12.089% *  0.0898% (0.06   0.02   0.02) =   0.017%
          HN    SER   13 - HB2   GLN   17  10.47 +/- 1.46   3.305% *  0.0800% (0.05   0.02   0.02) =   0.004%
          HN    SER   13 - HB3   PRO   68  20.80 +/- 6.03   0.718% *  0.2007% (0.14   0.02   0.02) =   0.002%
          HN    GLU-  29 - QB    GLU-  15  14.35 +/- 2.26   1.234% *  0.0898% (0.06   0.02   0.02) =   0.002%
          HN    GLU-  29 - HB2   GLN   17  16.29 +/- 2.17   0.987% *  0.0800% (0.05   0.02   0.02) =   0.001%
          HN    GLU-  29 - HB3   PRO   68  22.36 +/- 2.81   0.286% *  0.2007% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2306 (8.28, 4.42, 54.38 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 5.46, residual support = 50.0:
      O   HN    VAL   18 - HA    GLN   17   2.55 +/- 0.14  99.166% * 99.9233% (0.84  10.0   5.46  50.04) = 100.000%  kept
          HN    GLU-  29 - HA    GLN   17  16.48 +/- 2.11   0.429% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   17  22.85 +/- 4.61   0.405% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2307 (0.38, 4.42, 54.38 ppm):
    4 chemical-shift based assignments, quality = 0.635, support = 0.02, residual support = 0.601:
        T QB    ALA   64 - HA    GLN   17   8.23 +/- 4.09  57.969% * 38.1619% (0.69 10.00   0.02   0.89) =  66.976%  kept
        T QG1   VAL   42 - HA    GLN   17  11.73 +/- 2.99  25.292% * 27.0421% (0.49 10.00   0.02   0.02) =  20.707%  kept
        T QB    ALA   47 - HA    GLN   17  19.33 +/- 3.73  11.915% * 33.6965% (0.61 10.00   0.02   0.02) =  12.156%  kept
          HG2   LYS+ 112 - HA    GLN   17  24.34 +/- 3.97   4.824% *  1.0994% (0.20  1.00   0.02   0.02) =   0.161%  kept
    Distance limit 3.13 A violated in 17 structures by 4.47 A, eliminated.
    Peak unassigned.
 
    Peak 2308 (8.28, 1.96, 32.56 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.98, residual support = 76.0:
      O   HN    VAL   18 - HB    VAL   18   2.64 +/- 0.48  98.837% * 99.9233% (0.84  10.0   4.98  75.99) =  99.999%  kept
          HN    GLU-  29 - HB    VAL   18  14.80 +/- 1.90   0.741% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB    VAL   18  20.00 +/- 3.47   0.422% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2309 (2.84, 4.00, 62.64 ppm):
    3 chemical-shift based assignments, quality = 0.623, support = 0.472, residual support = 2.67:
        T HB2   PHE   72 - HA    VAL   18   7.25 +/- 3.58  40.662% * 69.6392% (0.49 10.00   0.37   0.02) =  71.008%  kept
          HA    ALA   64 - HA    VAL   18   7.88 +/- 3.97  39.164% * 28.6269% (0.98  1.00   0.75   9.46) =  28.114%  kept
        T HB3   ASN   35 - HA    VAL   18  14.29 +/- 3.70  20.175% *  1.7339% (0.22 10.00   0.02   0.02) =   0.877%  kept
    Distance limit 3.83 A violated in 4 structures by 2.19 A, kept.
 
    Peak 2310 (8.94, 4.00, 62.64 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.86, residual support = 22.7:
      O   HN    ILE   19 - HA    VAL   18   2.23 +/- 0.05  90.503% * 98.2640% (0.73  10.0   4.86  22.77) =  99.874%  kept
          HN    LEU   73 - HA    VAL   18   6.90 +/- 3.36   6.911% *  1.5809% (0.92   1.0   0.25   0.75) =   0.123%  kept
          HN    VAL   42 - HA    VAL   18   9.69 +/- 3.48   2.368% *  0.1249% (0.92   1.0   0.02   0.02) =   0.003%
          HN    LYS+ 106 - HA    VAL   18  19.46 +/- 3.57   0.218% *  0.0301% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2311 (1.46, 0.86, 22.91 ppm):
    11 chemical-shift based assignments, quality = 0.615, support = 0.874, residual support = 0.703:
          HG    LEU   73 - QG1   VAL   18   6.95 +/- 3.10  19.047% * 81.7720% (0.61   0.94   0.75) =  92.957%  kept
          HG    LEU   67 - QG1   VAL   18   8.07 +/- 2.97  11.256% *  2.8673% (1.00   0.02   0.02) =   1.926%  kept
          HG    LEU   40 - QG1   VAL   18  10.01 +/- 2.97   8.545% *  2.8482% (0.99   0.02   0.02) =   1.453%  kept
          HB3   LEU   67 - QG1   VAL   18   7.21 +/- 3.23  18.499% *  0.7166% (0.25   0.02   0.02) =   0.791%  kept
          QG    LYS+  66 - QG1   VAL   18   9.14 +/- 2.72   7.826% *  1.1814% (0.41   0.02   0.02) =   0.552%  kept
          QB    ALA   61 - QG1   VAL   18   7.66 +/- 3.51  18.272% *  0.4434% (0.15   0.02   0.76) =   0.484%  kept
          HG2   LYS+ 102 - QG1   VAL   18  17.68 +/- 3.46   3.698% *  2.0867% (0.73   0.02   0.02) =   0.461%  kept
          HB3   LEU   40 - QG1   VAL   18  10.61 +/- 2.97   5.598% *  1.2884% (0.45   0.02   0.02) =   0.430%  kept
          QB    ALA  120 - QG1   VAL   18  14.77 +/- 3.62   3.062% *  1.9739% (0.69   0.02   0.02) =   0.361%  kept
          HB3   LEU  115 - QG1   VAL   18  15.08 +/- 3.34   1.755% *  2.8482% (0.99   0.02   0.02) =   0.298%  kept
          HG    LEU  115 - QG1   VAL   18  14.66 +/- 3.26   2.441% *  1.9739% (0.69   0.02   0.02) =   0.288%  kept
    Distance limit 2.96 A violated in 7 structures by 1.65 A, kept.
 
    Peak 2312 (1.29, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.486, support = 3.12, residual support = 8.29:
        T QB    ALA   34 - QG1   VAL   41   2.93 +/- 1.42  51.142% * 97.8928% (0.49 10.00   3.12   8.31) =  99.832%  kept
        T QB    ALA   34 - QG2   VAL   18   8.64 +/- 2.18   6.544% *  0.7481% (0.37 10.00   0.02   0.02) =   0.098%
        T QG2   ILE   56 - QG1   VAL   41  14.10 +/- 2.16   1.912% *  0.6207% (0.31 10.00   0.02   0.02) =   0.024%
          QG2   THR   23 - QG2   VAL   18   9.93 +/- 1.83   3.573% *  0.1284% (0.64  1.00   0.02   0.02) =   0.009%
          QG2   THR   77 - QG2   VAL   18  10.03 +/- 1.93   4.671% *  0.0932% (0.46  1.00   0.02   0.02) =   0.009%
          QG2   THR   77 - QG1   VAL   41  11.30 +/- 2.17   3.461% *  0.1220% (0.61  1.00   0.02   0.02) =   0.008%
          QG2   THR   23 - QG1   VAL   41  11.83 +/- 2.59   1.588% *  0.1680% (0.84  1.00   0.02   0.02) =   0.005%
          QB    ALA   88 - QG1   VAL   41  13.37 +/- 2.25   5.135% *  0.0501% (0.25  1.00   0.02   0.02) =   0.005%
          QG2   ILE   56 - QG2   VAL   18  12.21 +/- 1.99   4.482% *  0.0474% (0.24  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  38 - QG1   VAL   41   8.05 +/- 1.17   3.991% *  0.0352% (0.18  1.00   0.02   0.02) =   0.003%
          QB    ALA   88 - QG2   VAL   18  15.39 +/- 2.78   2.253% *  0.0383% (0.19  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  38 - QG2   VAL   18  14.77 +/- 3.08   0.808% *  0.0269% (0.13  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD2   LEU  104   9.43 +/- 3.24   3.419% *  0.0053% (0.03  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD2   LEU  104  15.51 +/- 3.92   1.478% *  0.0090% (0.04  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD2   LEU  104  13.73 +/- 2.08   1.204% *  0.0066% (0.03  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD2   LEU  104  14.95 +/- 2.47   1.453% *  0.0033% (0.02  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU  104  12.90 +/- 1.99   1.668% *  0.0027% (0.01  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD2   LEU  104  13.04 +/- 6.05   1.217% *  0.0019% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 3 structures by 0.62 A, kept.
 
    Peak 2313 (1.82, 0.76, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.828, support = 4.3, residual support = 75.8:
      O T HB    VAL   41 - QG1   VAL   41   2.12 +/- 0.02  43.799% * 89.0900% (0.84  10.0 10.00   4.33  76.54) =  98.643%  kept
          QB    LYS+  65 - QG2   VAL   18   6.86 +/- 3.39   9.112% *  2.6964% (0.55   1.0  1.00   0.91   0.02) =   0.621%  kept
          HB3   GLN   17 - QG2   VAL   18   4.88 +/- 1.05   5.792% *  3.3294% (0.15   1.0  1.00   4.13  50.04) =   0.487%  kept
          HG12  ILE  103 - QD2   LEU  104   5.28 +/- 1.09   4.015% *  1.0951% (0.04   1.0  1.00   5.57  38.81) =   0.111%  kept
          QB    LYS+  66 - QG2   VAL   18   8.14 +/- 2.64   1.447% *  2.0742% (0.74   1.0  1.00   0.53   0.02) =   0.076%
        T HB    VAL   41 - QG2   VAL   18   9.86 +/- 2.67   1.543% *  0.6809% (0.64   1.0 10.00   0.02   0.02) =   0.027%
          HB2   LEU   71 - QG1   VAL   41   6.14 +/- 2.26   5.412% *  0.0733% (0.69   1.0  1.00   0.02   0.79) =   0.010%
          QB    LYS+ 102 - QG1   VAL   41  10.71 +/- 5.02   2.383% *  0.0891% (0.84   1.0  1.00   0.02   0.02) =   0.005%
          HB3   GLN   17 - QG1   VAL   41  11.31 +/- 3.73   9.096% *  0.0211% (0.20   1.0  1.00   0.02   0.02) =   0.005%
          HG12  ILE  103 - QG1   VAL   41   9.62 +/- 4.53   2.577% *  0.0733% (0.69   1.0  1.00   0.02   0.02) =   0.005%
        T HB    VAL   41 - QD2   LEU  104   9.16 +/- 4.49   2.075% *  0.0479% (0.04   1.0 10.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - QG2   VAL   18   8.13 +/- 2.63   1.480% *  0.0560% (0.52   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU  123 - QG2   VAL   18  15.94 +/- 4.20   1.079% *  0.0335% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QD2   LEU  104   4.42 +/- 0.87   7.052% *  0.0048% (0.04   1.0  1.00   0.02   0.29) =   0.001%
          QB    LYS+  66 - QG1   VAL   41  11.70 +/- 1.35   0.296% *  0.1029% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - QG1   VAL   41  11.76 +/- 1.52   0.303% *  0.0775% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - QG2   VAL   18  14.74 +/- 3.61   0.360% *  0.0560% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QG2   VAL   18  16.45 +/- 3.18   0.180% *  0.0799% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG2   VAL   18  16.03 +/- 3.37   0.188% *  0.0681% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG1   VAL   41  16.85 +/- 1.92   0.105% *  0.1045% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG1   VAL   41  18.10 +/- 2.99   0.097% *  0.0438% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   18  18.17 +/- 3.07   0.086% *  0.0335% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG1   VAL   41  20.39 +/- 1.98   0.056% *  0.0438% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU  104  14.58 +/- 3.30   0.304% *  0.0055% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD2   LEU  104  13.28 +/- 3.59   0.277% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD2   LEU  104  15.13 +/- 2.30   0.159% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU  104  17.24 +/- 1.48   0.089% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  16.35 +/- 4.45   0.431% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD2   LEU  104  16.95 +/- 4.85   0.161% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  104  21.46 +/- 2.37   0.049% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2314 (1.49, 0.75, 22.78 ppm):
    24 chemical-shift based assignments, quality = 0.546, support = 2.74, residual support = 14.9:
          HB3   LEU   40 - QG1   VAL   41   5.01 +/- 0.46  10.928% * 70.1296% (0.46   3.77  20.92) =  70.814%  kept
          HG2   LYS+  65 - QG2   VAL   18   7.58 +/- 4.52  16.626% *  8.9930% (0.76   0.29   0.02) =  13.816%  kept
          QG2   THR   26 - QG1   VAL   41   8.85 +/- 2.70   9.379% *  7.4652% (0.64   0.29   0.02) =   6.470%  kept
          HB2   LYS+  74 - QG2   VAL   18   5.04 +/- 2.18  19.685% *  3.2698% (0.99   0.08   1.37) =   5.948%  kept
          QD    LYS+  66 - QG2   VAL   18   8.93 +/- 3.07   3.450% *  5.0743% (0.31   0.41   0.02) =   1.617%  kept
          QG2   THR   26 - QG2   VAL   18   8.03 +/- 1.90   8.229% *  0.6704% (0.84   0.02   0.02) =   0.510%  kept
          HB3   LEU   40 - QG2   VAL   18  11.20 +/- 3.27   6.482% *  0.4868% (0.61   0.02   0.02) =   0.292%  kept
          QB    ALA  120 - QG2   VAL   18  14.22 +/- 3.88   5.520% *  0.3012% (0.38   0.02   0.02) =   0.154%  kept
          HB2   LYS+  74 - QG1   VAL   41  10.40 +/- 2.36   1.579% *  0.6079% (0.76   0.02   0.02) =   0.089%
          HD2   LYS+ 121 - QG2   VAL   18  14.50 +/- 3.83   1.679% *  0.5513% (0.69   0.02   0.02) =   0.086%
          HB3   LEU   40 - QD2   LEU  104   9.57 +/- 5.77   5.379% *  0.0748% (0.09   0.02   0.02) =   0.037%
          HG    LEU  115 - QG2   VAL   18  14.22 +/- 2.85   1.234% *  0.3012% (0.38   0.02   0.02) =   0.034%
          HD2   LYS+ 121 - QG1   VAL   41  14.78 +/- 4.27   0.689% *  0.4213% (0.52   0.02   0.02) =   0.027%
          HB2   LYS+  74 - QD2   LEU  104  15.23 +/- 3.25   2.124% *  0.1222% (0.15   0.02   0.02) =   0.024%
          HG2   LYS+  65 - QG1   VAL   41  13.47 +/- 2.06   0.514% *  0.4687% (0.58   0.02   0.02) =   0.022%
          HD2   LYS+ 121 - QD2   LEU  104  12.72 +/- 6.79   2.226% *  0.0847% (0.11   0.02   0.02) =   0.017%
          QD    LYS+  66 - QG1   VAL   41  13.20 +/- 1.34   0.562% *  0.1893% (0.24   0.02   0.02) =   0.010%
          QG2   THR   26 - QD2   LEU  104  13.73 +/- 3.07   0.974% *  0.1030% (0.13   0.02   0.02) =   0.009%
          QB    ALA  120 - QG1   VAL   41  15.12 +/- 2.70   0.419% *  0.2302% (0.29   0.02   0.02) =   0.009%
          HG    LEU  115 - QG1   VAL   41  15.82 +/- 2.28   0.315% *  0.2302% (0.29   0.02   0.02) =   0.007%
          QB    ALA  120 - QD2   LEU  104  13.12 +/- 3.91   0.953% *  0.0463% (0.06   0.02   0.02) =   0.004%
          HG2   LYS+  65 - QD2   LEU  104  17.65 +/- 2.58   0.245% *  0.0942% (0.12   0.02   0.02) =   0.002%
          HG    LEU  115 - QD2   LEU  104  15.09 +/- 2.63   0.423% *  0.0463% (0.06   0.02   0.02) =   0.002%
          QD    LYS+  66 - QD2   LEU  104  16.29 +/- 3.21   0.386% *  0.0381% (0.05   0.02   0.02) =   0.001%
    Distance limit 2.93 A violated in 0 structures by 0.33 A, kept.
 
    Peak 2315 (3.75, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.816, support = 0.02, residual support = 0.552:
        T HA    ALA   61 - QG2   VAL   18   7.49 +/- 3.71  24.399% * 46.5616% (0.87 10.00   0.02   0.76) =  71.414%  kept
        T HA    ALA   61 - QG1   VAL   41  11.22 +/- 1.93   7.703% * 35.5837% (0.66 10.00   0.02   0.02) =  17.230%  kept
          HD2   PRO   68 - QG2   VAL   18   9.37 +/- 3.29  14.945% *  5.2615% (0.98  1.00   0.02   0.02) =   4.943%  kept
          HD2   PRO   68 - QG1   VAL   41  10.58 +/- 1.86  11.040% *  4.0210% (0.75  1.00   0.02   0.02) =   2.791%  kept
          HA    VAL   24 - QG2   VAL   18  11.37 +/- 1.68  10.157% *  2.6128% (0.49  1.00   0.02   0.02) =   1.668%  kept
          HA    VAL   24 - QG1   VAL   41  10.74 +/- 2.47   8.505% *  1.9968% (0.37  1.00   0.02   0.02) =   1.067%  kept
          HA    VAL   24 - QD2   LEU  104  15.03 +/- 4.26   9.112% *  0.4015% (0.07  1.00   0.02   0.02) =   0.230%  kept
          HD3   PRO   58 - QG2   VAL   18  13.70 +/- 3.02   2.789% *  1.0623% (0.20  1.00   0.02   0.02) =   0.186%  kept
          HA    ALA   61 - QD2   LEU  104  14.86 +/- 2.72   4.084% *  0.7155% (0.13  1.00   0.02   0.02) =   0.184%  kept
          HD2   PRO   68 - QD2   LEU  104  14.42 +/- 4.76   3.097% *  0.8085% (0.15  1.00   0.02   0.02) =   0.157%  kept
          HD3   PRO   58 - QG1   VAL   41  16.98 +/- 1.97   2.129% *  0.8118% (0.15  1.00   0.02   0.02) =   0.109%  kept
          HD3   PRO   58 - QD2   LEU  104  18.01 +/- 3.30   2.040% *  0.1632% (0.03  1.00   0.02   0.02) =   0.021%
    Distance limit 2.93 A violated in 15 structures by 2.34 A, eliminated.
    Peak unassigned.
 
    Peak 2316 (4.86, 0.76, 22.78 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.26, residual support = 76.5:
      O T HA    VAL   41 - QG1   VAL   41   2.58 +/- 0.28  85.672% * 98.8372% (0.65  10.0 10.00   4.26  76.54) =  99.964%  kept
        T HA    VAL   41 - QG2   VAL   18   9.28 +/- 2.54   3.200% *  0.7553% (0.49   1.0 10.00   0.02   0.02) =   0.029%
          HA    PHE   45 - QG2   VAL   18  11.21 +/- 2.65   1.751% *  0.1165% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HA    PHE   45 - QG1   VAL   41  11.75 +/- 1.23   1.171% *  0.1524% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T HA    VAL   41 - QD2   LEU  104   9.83 +/- 4.23   2.716% *  0.0531% (0.03   1.0 10.00   0.02   0.02) =   0.002%
          HA    HIS  122 - QG1   VAL   41  15.67 +/- 4.74   1.408% *  0.0425% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - QG2   VAL   18  14.59 +/- 3.78   1.065% *  0.0325% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QD2   LEU  104  14.51 +/- 7.02   2.414% *  0.0023% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QD2   LEU  104  14.40 +/- 1.42   0.601% *  0.0082% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2317 (7.29, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.847, support = 0.02, residual support = 0.146:
          QD    PHE   60 - QG1   VAL   18   7.69 +/- 3.09  38.597% * 36.4324% (1.00   0.02   0.27) =  51.032%  kept
          HN    LYS+  66 - QG1   VAL   18   8.32 +/- 3.23  33.790% * 25.0257% (0.69   0.02   0.02) =  30.688%  kept
          HN    LYS+  81 - QG1   VAL   18  14.76 +/- 3.10  12.533% * 30.4309% (0.84   0.02   0.02) =  13.841%  kept
          QE    PHE   59 - QG1   VAL   18  11.96 +/- 3.08  15.080% *  8.1111% (0.22   0.02   0.02) =   4.439%  kept
    Distance limit 3.13 A violated in 15 structures by 3.19 A, eliminated.
    Peak unassigned.
 
    Peak 2318 (8.26, 0.86, 22.91 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.47, residual support = 76.0:
          HN    VAL   18 - QG1   VAL   18   3.21 +/- 0.54  97.285% * 99.8227% (0.92   5.47  75.99) =  99.995%  kept
          HN    SER   13 - QG1   VAL   18  12.58 +/- 1.72   2.715% *  0.1773% (0.45   0.02   0.02) =   0.005%
    Distance limit 3.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2319 (8.45, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.311, support = 1.49, residual support = 1.36:
          HN    LYS+  74 - QG1   VAL   18   5.18 +/- 2.95  78.352% * 92.4230% (0.31   1.50   1.37) =  99.258%  kept
          HN    THR   46 - QG1   VAL   18  11.78 +/- 3.68  11.075% *  2.8942% (0.73   0.02   0.02) =   0.439%  kept
          HN    MET   92 - QG1   VAL   18  16.90 +/- 3.66   4.196% *  3.5745% (0.90   0.02   0.02) =   0.206%  kept
          HN    ASP- 113 - QG1   VAL   18  19.24 +/- 3.89   6.378% *  1.1082% (0.28   0.02   0.02) =   0.097%
    Distance limit 3.58 A violated in 10 structures by 1.94 A, kept.
 
    Peak 2320 (8.92, 0.86, 22.91 ppm):
    3 chemical-shift based assignments, quality = 0.824, support = 4.8, residual support = 22.4:
          HN    ILE   19 - QG1   VAL   18   3.13 +/- 0.64  69.733% * 94.5369% (0.84   4.86  22.77) =  98.228%  kept
          HN    LEU   73 - QG1   VAL   18   5.85 +/- 2.83  21.998% *  5.3710% (0.20   1.17   0.75) =   1.760%  kept
          HN    VAL   42 - QG1   VAL   18   8.24 +/- 2.88   8.269% *  0.0921% (0.20   0.02   0.02) =   0.011%
    Distance limit 3.30 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2321 (7.28, 0.75, 22.78 ppm):
    15 chemical-shift based assignments, quality = 0.759, support = 0.452, residual support = 0.161:
          QD    PHE   60 - QG2   VAL   18   7.68 +/- 2.58  17.380% * 44.8140% (0.80   0.59   0.27) =  57.267%  kept
          QD    PHE   60 - QG1   VAL   41   9.77 +/- 1.65  10.930% * 25.5395% (0.61   0.44   0.02) =  20.524%  kept
          HN    LYS+  66 - QG2   VAL   18   7.51 +/- 3.30  22.507% *  8.1948% (0.98   0.09   0.02) =  13.561%  kept
          QE    PHE   59 - QG2   VAL   18  11.48 +/- 2.86   8.171% *  8.5488% (0.57   0.16   0.02) =   5.136%  kept
          QE    PHE   59 - QG1   VAL   41  13.12 +/- 1.87   4.080% *  4.1210% (0.43   0.10   0.02) =   1.236%  kept
          HN    PHE   59 - QG2   VAL   18  12.13 +/- 2.97   3.250% *  3.3617% (0.22   0.16   0.02) =   0.803%  kept
          HN    LYS+  66 - QG1   VAL   41  11.99 +/- 1.40   4.712% *  1.4204% (0.75   0.02   0.02) =   0.492%  kept
          HN    LYS+  81 - QG1   VAL   41  15.98 +/- 4.44   8.281% *  0.6497% (0.34   0.02   0.02) =   0.396%  kept
          HN    PHE   59 - QG1   VAL   41  15.27 +/- 1.59   2.078% *  1.6206% (0.17   0.10   0.02) =   0.248%  kept
          HN    LYS+  81 - QG2   VAL   18  15.22 +/- 1.99   1.738% *  0.8501% (0.45   0.02   0.02) =   0.109%  kept
          QD    PHE   60 - QD2   LEU  104  12.29 +/- 2.47   5.335% *  0.2333% (0.12   0.02   0.02) =   0.092%
          QE    PHE   59 - QD2   LEU  104  12.45 +/- 3.17   6.038% *  0.1650% (0.09   0.02   0.02) =   0.073%
          HN    LYS+  66 - QD2   LEU  104  15.81 +/- 3.03   1.901% *  0.2856% (0.15   0.02   0.02) =   0.040%
          HN    PHE   59 - QD2   LEU  104  16.34 +/- 3.01   2.429% *  0.0649% (0.03   0.02   0.02) =   0.012%
          HN    LYS+  81 - QD2   LEU  104  19.35 +/- 3.90   1.170% *  0.1306% (0.07   0.02   0.02) =   0.011%
    Distance limit 3.18 A violated in 12 structures by 2.01 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 2322 (8.28, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.606, support = 5.25, residual support = 75.9:
          HN    VAL   18 - QG2   VAL   18   2.48 +/- 0.78  61.780% * 98.1396% (0.61   5.25  75.99) =  99.867%  kept
          HN    VAL   18 - QG1   VAL   41  10.11 +/- 3.22  14.334% *  0.2856% (0.46   0.02   0.02) =   0.067%
          HN    GLU-  29 - QG1   VAL   41  10.01 +/- 2.56   2.819% *  0.3419% (0.55   0.02   0.02) =   0.016%
          HN    GLU-  29 - QG2   VAL   18  12.34 +/- 2.33   2.099% *  0.4474% (0.73   0.02   0.02) =   0.015%
          HN    GLN   30 - QG2   VAL   18  10.62 +/- 2.27   5.377% *  0.1536% (0.25   0.02   0.02) =   0.014%
          HN    GLN   30 - QG1   VAL   41   8.18 +/- 2.63   6.944% *  0.1174% (0.19   0.02   0.02) =   0.013%
          HN    VAL   18 - QD2   LEU  104  15.22 +/- 4.10   2.911% *  0.0574% (0.09   0.02   0.02) =   0.003%
          HN    ASP-  86 - QG1   VAL   41  15.07 +/- 3.57   0.898% *  0.1453% (0.24   0.02   0.02) =   0.002%
          HN    ASP-  86 - QG2   VAL   18  16.86 +/- 2.08   0.335% *  0.1902% (0.31   0.02   0.02) =   0.001%
          HN    GLU-  29 - QD2   LEU  104  15.36 +/- 3.76   0.904% *  0.0687% (0.11   0.02   0.02) =   0.001%
          HN    GLN   30 - QD2   LEU  104  14.31 +/- 3.38   1.099% *  0.0236% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  86 - QD2   LEU  104  16.47 +/- 3.20   0.500% *  0.0292% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2324 (8.99, 0.76, 22.78 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 4.55, residual support = 76.4:
          HN    VAL   41 - QG1   VAL   41   2.55 +/- 0.48  80.712% * 96.5383% (0.14   4.55  76.54) =  99.858%  kept
          HN    LYS+ 106 - QD2   LEU  104   7.44 +/- 0.75   4.357% *  2.0204% (0.01   1.21   0.02) =   0.113%  kept
          HN    VAL   41 - QG2   VAL   18  10.68 +/- 2.24   3.005% *  0.3242% (0.10   0.02   0.02) =   0.012%
          HN    LYS+ 106 - QG1   VAL   41  13.11 +/- 3.27   1.009% *  0.6203% (0.20   0.02   0.02) =   0.008%
          HN    LYS+ 106 - QG2   VAL   18  16.22 +/- 3.37   1.031% *  0.4741% (0.15   0.02   0.02) =   0.006%
          HN    VAL   41 - QD2   LEU  104   8.41 +/- 4.84   9.887% *  0.0228% (0.01   0.02   0.02) =   0.003%
    Distance limit 3.09 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2325 (6.61, 0.60, 22.78 ppm):
    4 chemical-shift based assignments, quality = 0.356, support = 5.33, residual support = 85.6:
          HN    VAL   83 - QG1   VAL   83   2.88 +/- 0.61  91.435% * 98.5338% (0.36   5.33  85.61) =  99.960%  kept
          HN    TRP   49 - QG1   VAL   83  14.99 +/- 3.05   3.615% *  0.5088% (0.49   0.02   0.02) =   0.020%
          HN    CYS   50 - QG1   VAL   83  15.90 +/- 2.84   1.537% *  0.7795% (0.75   0.02   0.02) =   0.013%
          HE22  GLN   30 - QG1   VAL   83  12.64 +/- 3.68   3.413% *  0.1778% (0.17   0.02   0.02) =   0.007%
    Distance limit 3.15 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2326 (1.09, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.465, support = 0.459, residual support = 0.579:
        T QG2   VAL   24 - QG1   VAL   83   7.78 +/- 5.64  38.649% * 63.0354% (0.46 10.00   0.28   0.61) =  73.239%  kept
          QG1   VAL   24 - QG1   VAL   83   8.29 +/- 5.04  28.393% * 25.9321% (0.46  1.00   1.15   0.61) =  22.135%  kept
        T QG1   VAL  107 - QG1   VAL   83  13.69 +/- 1.74  15.882% *  7.4540% (0.75 10.00   0.02   0.02) =   3.559%  kept
        T HG    LEU   63 - QG1   VAL   83  16.35 +/- 1.71  10.260% *  3.2251% (0.33 10.00   0.02   0.02) =   0.995%  kept
          HD3   LYS+ 112 - QG1   VAL   83  20.40 +/- 3.91   6.817% *  0.3533% (0.36  1.00   0.02   0.02) =   0.072%
    Distance limit 3.02 A violated in 10 structures by 3.40 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 2327 (10.23, 0.60, 22.78 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2328 (2.36, 4.18, 60.49 ppm):
    6 chemical-shift based assignments, quality = 0.562, support = 0.02, residual support = 0.02:
        T HG3   GLU-  25 - HA    ILE   19  15.68 +/- 1.38  19.284% * 27.9530% (0.14 10.00   0.02   0.02) =  35.037%  kept
          HB3   PHE   97 - HA    ILE   19  17.09 +/- 3.90  17.016% * 19.0666% (0.92  1.00   0.02   0.02) =  21.087%  kept
          HB2   PRO   58 - HA    ILE   19  18.22 +/- 2.91  13.452% * 19.0666% (0.92  1.00   0.02   0.02) =  16.670%  kept
          HB2   GLU- 100 - HA    ILE   19  19.18 +/- 4.57  13.292% * 14.1878% (0.69  1.00   0.02   0.02) =  12.258%  kept
          HB2   GLN  116 - HA    ILE   19  23.41 +/- 3.82   8.404% * 16.5389% (0.80  1.00   0.02   0.02) =   9.034%  kept
          QG    GLU-  79 - HA    ILE   19  13.42 +/- 2.91  28.552% *  3.1869% (0.15  1.00   0.02   0.02) =   5.914%  kept
    Distance limit 3.85 A violated in 20 structures by 7.23 A, eliminated.
    Peak unassigned.
 
    Peak 2330 (8.72, 4.18, 60.49 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.04, residual support = 25.4:
      O   HN    ALA   20 - HA    ILE   19   2.24 +/- 0.06  99.546% * 99.9363% (0.73  10.0   5.04  25.44) = 100.000%  kept
          HN    PHE   45 - HA    ILE   19  15.46 +/- 2.21   0.362% *  0.0425% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - HA    ILE   19  24.32 +/- 2.75   0.092% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2331 (8.93, 4.18, 60.49 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 6.71, residual support = 170.5:
      O   HN    ILE   19 - HA    ILE   19   2.91 +/- 0.03  86.143% * 99.8764% (0.98  10.0   6.71 170.53) =  99.990%  kept
          HN    LEU   73 - HA    ILE   19   7.42 +/- 2.69  10.460% *  0.0618% (0.61   1.0   0.02   5.31) =   0.008%
          HN    VAL   42 - HA    ILE   19  11.13 +/- 2.80   3.396% *  0.0618% (0.61   1.0   0.02   0.02) =   0.002%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2332 (5.57, 2.00, 37.78 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 2.33, residual support = 5.31:
          HA    LEU   73 - HB    ILE   19   5.50 +/- 3.60 100.000% *100.0000% (0.95   2.33   5.31) = 100.000%  kept
    Distance limit 3.90 A violated in 5 structures by 1.85 A, kept.
 
    Peak 2333 (8.94, 2.00, 37.78 ppm):
    4 chemical-shift based assignments, quality = 0.654, support = 5.83, residual support = 166.8:
      O   HN    ILE   19 - HB    ILE   19   2.66 +/- 0.42  80.094% * 89.7976% (0.65  10.0   5.94 170.53) =  97.717%  kept
          HN    LEU   73 - HB    ILE   19   6.13 +/- 3.13  16.714% * 10.0299% (0.97   1.0   1.50   5.31) =   2.278%  kept
          HN    VAL   42 - HB    ILE   19  10.06 +/- 2.90   2.951% *  0.1340% (0.97   1.0   0.02   0.02) =   0.005%
          HN    LYS+ 106 - HB    ILE   19  20.34 +/- 2.82   0.240% *  0.0386% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2334 (1.27, 0.69, 16.64 ppm):
    9 chemical-shift based assignments, quality = 0.278, support = 4.88, residual support = 170.2:
      O   HG13  ILE   19 - QG2   ILE   19   2.81 +/- 0.25  53.609% * 98.1968% (0.28  10.0   4.89 170.53) =  99.830%  kept
          QG2   THR   39 - QG2   ILE   19   7.78 +/- 3.34  16.827% *  0.2142% (0.61   1.0   0.02   0.02) =   0.068%
          QB    ALA   34 - QG2   ILE   19   6.36 +/- 1.56   8.785% *  0.3501% (0.99   1.0   0.02   0.02) =   0.058%
          QG2   THR   23 - QG2   ILE   19   7.10 +/- 0.97   4.127% *  0.2699% (0.76   1.0   0.02   0.02) =   0.021%
          HG2   LYS+  74 - QG2   ILE   19   8.61 +/- 2.23  13.029% *  0.0478% (0.14   1.0   0.02   8.22) =   0.012%
          HG3   LYS+  38 - QG2   ILE   19  12.82 +/- 2.54   0.780% *  0.3064% (0.87   1.0   0.02   0.02) =   0.005%
          QG2   ILE   56 - QG2   ILE   19  15.37 +/- 2.16   0.405% *  0.3462% (0.98   1.0   0.02   0.02) =   0.003%
          HG3   LYS+  99 - QG2   ILE   19  14.51 +/- 3.56   2.152% *  0.0545% (0.15   1.0   0.02   0.02) =   0.002%
          QB    ALA   91 - QG2   ILE   19  16.71 +/- 1.85   0.286% *  0.2142% (0.61   1.0   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2335 (1.43, 0.69, 16.64 ppm):
    12 chemical-shift based assignments, quality = 0.942, support = 5.39, residual support = 169.3:
      O   HG12  ILE   19 - QG2   ILE   19   2.84 +/- 0.39  61.302% * 96.7878% (0.95  10.0  1.00   5.43 170.53) =  99.275%  kept
          HG    LEU   73 - QG2   ILE   19   5.89 +/- 2.70  19.009% *  2.0266% (0.53   1.0  1.00   0.75   5.31) =   0.645%  kept
          HB3   LYS+  74 - QG2   ILE   19   7.15 +/- 1.56   9.847% *  0.3963% (0.38   1.0  1.00   0.21   8.22) =   0.065%
        T QB    LEU   98 - QG2   ILE   19  12.00 +/- 2.07   1.176% *  0.1792% (0.18   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   61 - QG2   ILE   19  10.10 +/- 1.98   1.874% *  0.1003% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   67 - QG2   ILE   19  10.44 +/- 1.99   2.021% *  0.0918% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   80 - QG2   ILE   19  13.28 +/- 3.94   1.322% *  0.1014% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - QG2   ILE   19  12.22 +/- 1.16   0.981% *  0.0743% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - QG2   ILE   19  13.34 +/- 2.95   0.948% *  0.0579% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QG2   ILE   19  17.26 +/- 4.13   0.764% *  0.0421% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - QG2   ILE   19  18.04 +/- 1.94   0.271% *  0.1003% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   ILE   19  17.76 +/- 3.05   0.485% *  0.0421% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2336 (2.01, 0.69, 16.64 ppm):
    9 chemical-shift based assignments, quality = 0.793, support = 4.86, residual support = 168.5:
      O   HB    ILE   19 - QG2   ILE   19   2.12 +/- 0.01  65.966% * 96.2824% (0.80  10.0   4.89 170.53) =  98.718%  kept
          HG3   GLN   30 - QG2   ILE   19   3.74 +/- 1.10  27.148% *  3.0116% (0.22   1.0   2.25  14.75) =   1.271%  kept
          HB2   GLN   17 - QG2   ILE   19   6.66 +/- 1.14   3.203% *  0.1110% (0.92   1.0   0.02   0.02) =   0.006%
          QB    GLU-  15 - QG2   ILE   19   7.22 +/- 1.30   2.245% *  0.1110% (0.92   1.0   0.02   0.02) =   0.004%
          HB3   GLU-  25 - QG2   ILE   19  10.28 +/- 1.09   0.644% *  0.1200% (1.00   1.0   0.02   0.02) =   0.001%
          HG2   PRO   68 - QG2   ILE   19  13.95 +/- 1.89   0.287% *  0.0873% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   ILE   19  13.88 +/- 2.28   0.328% *  0.0681% (0.57   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG2   ILE   19  18.93 +/- 2.73   0.120% *  0.1043% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE   19  22.87 +/- 2.39   0.059% *  0.1043% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2337 (2.75, 0.69, 16.64 ppm):
    5 chemical-shift based assignments, quality = 0.646, support = 2.12, residual support = 14.7:
          HG2   GLN   30 - QG2   ILE   19   3.76 +/- 0.84  85.267% * 96.5489% (0.65   2.12  14.75) =  99.857%  kept
          QE    LYS+ 121 - QG2   ILE   19  15.71 +/- 4.01   3.845% *  1.4047% (1.00   0.02   0.02) =   0.066%
          HB3   ASN   28 - QG2   ILE   19  10.03 +/- 0.88   5.289% *  0.5788% (0.41   0.02   0.02) =   0.037%
          HB3   HIS  122 - QG2   ILE   19  16.24 +/- 3.68   2.003% *  1.2212% (0.87   0.02   0.02) =   0.030%
          HB3   ASP-  78 - QG2   ILE   19  14.66 +/- 2.65   3.595% *  0.2465% (0.18   0.02   0.02) =   0.011%
    Distance limit 3.90 A violated in 1 structures by 0.24 A, kept.
 
    Peak 2338 (4.18, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.74, residual support = 170.5:
      O   HA    ILE   19 - QG2   ILE   19   2.43 +/- 0.33  97.537% * 99.7522% (0.92  10.0   5.74 170.53) =  99.998%  kept
          HA    GLU-  25 - QG2   ILE   19  10.08 +/- 0.86   1.820% *  0.1081% (1.00   1.0   0.02   0.02) =   0.002%
          HA    SER   82 - QG2   ILE   19  17.74 +/- 2.98   0.363% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   ILE   19  18.54 +/- 2.50   0.280% *  0.0742% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2339 (8.73, 0.69, 16.64 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 3.65, residual support = 25.4:
          HN    ALA   20 - QG2   ILE   19   2.98 +/- 0.52  98.016% * 97.8938% (0.31   3.65  25.44) =  99.976%  kept
          HN    PHE   45 - QG2   ILE   19  13.51 +/- 1.78   1.586% *  1.2610% (0.73   0.02   0.02) =   0.021%
          HN    ALA  110 - QG2   ILE   19  21.02 +/- 2.16   0.398% *  0.8452% (0.49   0.02   0.02) =   0.004%
    Distance limit 3.31 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2340 (8.94, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.73, residual support = 170.1:
          HN    ILE   19 - QG2   ILE   19   3.55 +/- 0.35  65.609% * 98.8264% (0.65   5.75 170.53) =  99.732%  kept
          HN    LEU   73 - QG2   ILE   19   6.14 +/- 1.91  21.817% *  0.5129% (0.97   0.02   5.31) =   0.172%  kept
          HN    VAL   42 - QG2   ILE   19   9.33 +/- 2.22  11.935% *  0.5129% (0.97   0.02   0.02) =   0.094%
          HN    LYS+ 106 - QG2   ILE   19  17.94 +/- 2.48   0.639% *  0.1478% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2341 (0.93, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.263, support = 0.137, residual support = 0.786:
          QD1   LEU   40 - HG    LEU   71   6.49 +/- 1.36  32.699% * 29.2445% (0.06   0.24   1.45) =  53.698%  kept
          QD2   LEU   67 - HG13  ILE   19   9.67 +/- 3.16  15.318% * 28.7454% (0.69   0.02   0.02) =  24.725%  kept
          QD1   LEU   40 - HG13  ILE   19  10.18 +/- 3.09  12.612% * 17.2041% (0.41   0.02   0.02) =  12.184%  kept
          QD2   LEU   67 - HG    LEU   71   6.87 +/- 2.11  29.687% *  4.1205% (0.10   0.02   0.02) =   6.869%  kept
          QG2   ILE  119 - HG13  ILE   19  16.96 +/- 2.69   1.846% * 11.6352% (0.28   0.02   0.02) =   1.206%  kept
          QD1   ILE  103 - HG13  ILE   19  15.59 +/- 3.15   2.589% *  6.4569% (0.15   0.02   0.02) =   0.939%  kept
          QG2   ILE  119 - HG    LEU   71  15.37 +/- 2.55   2.566% *  1.6678% (0.04   0.02   0.02) =   0.240%  kept
          QD1   ILE  103 - HG    LEU   71  15.87 +/- 3.45   2.684% *  0.9256% (0.02   0.02   0.02) =   0.139%  kept
    Distance limit 3.07 A violated in 12 structures by 2.03 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2342 (8.94, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.64, support = 5.88, residual support = 168.2:
          HN    ILE   19 - HG13  ILE   19   2.95 +/- 0.89  66.303% * 88.0375% (0.65   5.94 170.53) =  98.597%  kept
          HN    LEU   73 - HG    LEU   71   8.31 +/- 1.09   6.532% *  7.0386% (0.14   2.22   1.76) =   0.777%  kept
          HN    VAL   42 - HG    LEU   71   8.74 +/- 1.92   9.286% *  2.6678% (0.14   0.84   0.84) =   0.418%  kept
          HN    ILE   19 - HG    LEU   71   8.43 +/- 3.58   6.279% *  1.2257% (0.09   0.58   0.72) =   0.130%  kept
          HN    LEU   73 - HG13  ILE   19   7.55 +/- 3.04   7.265% *  0.4424% (0.97   0.02   5.31) =   0.054%
          HN    VAL   42 - HG13  ILE   19  10.78 +/- 3.18   2.966% *  0.4424% (0.97   0.02   0.02) =   0.022%
          HN    LYS+ 106 - HG13  ILE   19  20.87 +/- 3.33   0.877% *  0.1274% (0.28   0.02   0.02) =   0.002%
          HN    LYS+ 106 - HG    LEU   71  19.96 +/- 2.76   0.493% *  0.0183% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2343 (6.66, 0.69, 16.64 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 2.24, residual support = 14.7:
          HE22  GLN   30 - QG2   ILE   19   3.45 +/- 0.68  91.083% * 97.4741% (0.41   2.24  14.75) =  99.881%  kept
          HD22  ASN   69 - QG2   ILE   19  12.84 +/- 2.94   4.033% *  2.1079% (1.00   0.02   0.02) =   0.096%
          QE    PHE   45 - QG2   ILE   19  11.90 +/- 2.22   4.884% *  0.4181% (0.20   0.02   0.02) =   0.023%
    Distance limit 4.09 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2344 (7.18, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 2.04, residual support = 14.7:
          HE21  GLN   30 - QG2   ILE   19   3.21 +/- 0.80  90.801% * 97.4565% (1.00   2.04  14.75) =  99.913%  kept
          HD1   TRP   27 - QG2   ILE   19   8.97 +/- 1.01   6.672% *  0.8301% (0.87   0.02   0.02) =   0.063%
          QD    PHE   59 - QG2   ILE   19  14.24 +/- 1.97   2.033% *  0.8301% (0.87   0.02   0.02) =   0.019%
          HH2   TRP   49 - QG2   ILE   19  21.61 +/- 3.45   0.494% *  0.8834% (0.92   0.02   0.02) =   0.005%
    Distance limit 4.06 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2345 (6.61, 0.74, 12.33 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 2.1, residual support = 14.7:
          HE22  GLN   30 - QD1   ILE   19   4.16 +/- 0.89  94.260% * 93.6205% (0.25   2.11  14.75) =  99.881%  kept
          HN    VAL   83 - QD1   ILE   19  15.96 +/- 3.39   3.184% *  1.2165% (0.34   0.02   0.02) =   0.044%
          HN    CYS   50 - QD1   ILE   19  20.18 +/- 2.19   1.297% *  2.8558% (0.80   0.02   0.02) =   0.042%
          HN    TRP   49 - QD1   ILE   19  20.32 +/- 2.51   1.259% *  2.3072% (0.65   0.02   0.02) =   0.033%
    Distance limit 4.22 A violated in 0 structures by 0.33 A, kept.
 
    Peak 2346 (8.98, 0.74, 12.33 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.02, residual support = 0.02:
          HN    LYS+ 106 - QD1   ILE   19  17.82 +/- 3.03 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 4.02 A violated in 20 structures by 13.80 A, eliminated.
    Peak unassigned.
 
    Peak 2347 (4.18, 1.14, 19.25 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 3.83, residual support = 25.4:
          HA    ILE   19 - QB    ALA   20   3.92 +/- 0.06  91.495% * 98.7209% (0.92   3.84  25.44) =  99.956%  kept
          HA    GLU-  25 - QB    ALA   20  11.20 +/- 1.02   4.724% *  0.5577% (1.00   0.02   0.02) =   0.029%
          HA    CYS   53 - QB    ALA   20  15.87 +/- 3.21   2.302% *  0.3831% (0.69   0.02   0.02) =   0.010%
          HA    SER   82 - QB    ALA   20  16.39 +/- 1.86   1.478% *  0.3383% (0.61   0.02   0.02) =   0.006%
    Distance limit 3.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2348 (2.80, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.843, support = 0.02, residual support = 3.82:
          QE    LYS+  74 - QB    ALA   20   5.51 +/- 1.43  51.047% * 25.4326% (0.90   0.02   6.49) =  58.773%  kept
          HB3   ASN   69 - QB    ALA   20  13.76 +/- 3.53  13.621% * 27.3678% (0.97   0.02   0.02) =  16.876%  kept
          HB2   PHE   72 - QB    ALA   20   8.44 +/- 1.90  22.847% * 16.0552% (0.57   0.02   0.02) =  16.606%  kept
          QB    CYS   50 - QB    ALA   20  13.49 +/- 3.01   5.142% * 26.1780% (0.92   0.02   0.02) =   6.094%  kept
          HB3   ASP-  78 - QB    ALA   20  11.73 +/- 1.81   7.342% *  4.9664% (0.18   0.02   0.02) =   1.651%  kept
    Distance limit 3.68 A violated in 9 structures by 1.38 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2349 (7.35, 1.14, 19.25 ppm):
    7 chemical-shift based assignments, quality = 0.881, support = 2.09, residual support = 4.93:
          HD2   HIS   22 - QB    ALA   20   3.76 +/- 0.40  61.747% * 72.9682% (0.92   2.18   5.48) =  89.643%  kept
          HN    THR   23 - QB    ALA   20   5.76 +/- 0.70  20.694% * 24.8185% (0.53   1.30   0.15) =  10.218%  kept
          HN    LEU   67 - QB    ALA   20  10.65 +/- 1.92   5.673% *  0.6497% (0.90   0.02   0.02) =   0.073%
          QE    PHE   95 - QB    ALA   20  12.50 +/- 3.07   3.931% *  0.3526% (0.49   0.02   0.02) =   0.028%
          HD1   TRP   49 - QB    ALA   20  17.50 +/- 3.41   1.006% *  0.7180% (0.99   0.02   0.02) =   0.014%
          QD    PHE   55 - QB    ALA   20  16.83 +/- 3.86   5.396% *  0.1118% (0.15   0.02   0.02) =   0.012%
          HD21  ASN   35 - QB    ALA   20  15.72 +/- 2.34   1.553% *  0.3811% (0.53   0.02   0.02) =   0.012%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2350 (7.93, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.86, residual support = 16.1:
          HN    CYS   21 - QB    ALA   20   3.54 +/- 0.21  88.676% * 99.1221% (0.95   3.86  16.08) =  99.968%  kept
          HN    ILE  119 - QB    ALA   20  16.31 +/- 4.06   4.838% *  0.2857% (0.53   0.02   0.02) =   0.016%
          HN    LYS+  33 - QB    ALA   20  11.69 +/- 1.30   2.892% *  0.3294% (0.61   0.02   0.02) =   0.011%
          HN    ILE   89 - QB    ALA   20  15.98 +/- 2.24   1.472% *  0.1676% (0.31   0.02   0.02) =   0.003%
          HN    SER   37 - QB    ALA   20  14.03 +/- 2.21   2.122% *  0.0951% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2351 (8.73, 1.14, 19.25 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 3.73, residual support = 15.2:
      O   HN    ALA   20 - QB    ALA   20   2.16 +/- 0.13  98.370% * 99.6086% (0.31  10.0   3.73  15.21) =  99.996%  kept
          HN    PHE   45 - QB    ALA   20  11.80 +/- 2.05   1.398% *  0.2343% (0.73   1.0   0.02   0.02) =   0.003%
          HN    ALA  110 - QB    ALA   20  19.22 +/- 2.93   0.232% *  0.1571% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2352 (1.84, 3.08, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.581, support = 0.02, residual support = 0.02:
          HB    VAL   41 - HB2   CYS   21  11.37 +/- 4.17  18.077% *  9.0526% (0.65   0.02   0.02) =  23.900%  kept
          QB    LYS+  33 - HB2   CYS   21   9.89 +/- 1.63  22.270% *  4.7734% (0.34   0.02   0.02) =  15.526%  kept
          HG12  ILE  103 - HB2   CYS   21  16.66 +/- 4.00   8.242% * 11.2053% (0.80   0.02   0.02) =  13.489%  kept
          QB    LYS+  66 - HB2   CYS   21  15.13 +/- 2.71  10.374% *  6.2738% (0.45   0.02   0.02) =   9.506%  kept
          HG    LEU  123 - HB2   CYS   21  23.08 +/- 5.01   4.066% * 13.7167% (0.98   0.02   0.02) =   8.146%  kept
          HB3   ASP- 105 - HB2   CYS   21  18.90 +/- 4.25   5.847% *  6.2738% (0.45   0.02   0.02) =   5.357%  kept
          HB    ILE  103 - HB2   CYS   21  18.99 +/- 4.26   4.233% *  7.3624% (0.53   0.02   0.02) =   4.552%  kept
          HG3   PRO   68 - HB2   CYS   21  18.72 +/- 2.75   3.678% *  7.9226% (0.57   0.02   0.02) =   4.255%  kept
          HB3   PRO   52 - HB2   CYS   21  24.56 +/- 2.62   1.875% * 13.7167% (0.98   0.02   0.02) =   3.756%  kept
          QB    LYS+  81 - HB2   CYS   21  15.67 +/- 3.14   8.218% *  3.1155% (0.22   0.02   0.02) =   3.739%  kept
          HG2   ARG+  54 - HB2   CYS   21  23.11 +/- 3.82   2.884% *  6.8115% (0.49   0.02   0.02) =   2.869%  kept
          HB3   GLN   90 - HB2   CYS   21  20.61 +/- 3.82   3.953% *  3.8908% (0.28   0.02   0.02) =   2.246%  kept
          QB    LYS+ 106 - HB2   CYS   21  17.62 +/- 2.64   3.972% *  2.7693% (0.20   0.02   0.02) =   1.607%  kept
          HG2   PRO   93 - HB2   CYS   21  21.15 +/- 2.55   2.310% *  3.1155% (0.22   0.02   0.02) =   1.051%  kept
    Distance limit 3.77 A violated in 18 structures by 4.05 A, eliminated.
    Peak unassigned.
 
    Peak 2353 (0.57, 3.08, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.81, support = 1.34, residual support = 6.88:
          QD1   LEU   73 - HB2   CYS   21   4.23 +/- 2.50  40.320% * 60.2681% (0.80   1.50   8.03) =  85.173%  kept
          QD2   LEU   63 - HB2   CYS   21  12.78 +/- 3.10  12.258% * 22.8038% (0.92   0.49   0.24) =   9.798%  kept
          QD1   LEU   63 - HB2   CYS   21  12.55 +/- 2.73   8.694% * 15.0186% (0.80   0.37   0.24) =   4.576%  kept
          QG2   VAL   41 - HB2   CYS   21   9.47 +/- 3.65  13.385% *  0.3766% (0.38   0.02   0.02) =   0.177%  kept
          QD2   LEU   80 - HB2   CYS   21  10.68 +/- 4.99  10.738% *  0.4126% (0.41   0.02   0.02) =   0.155%  kept
          QD1   LEU   80 - HB2   CYS   21  11.23 +/- 5.36   8.628% *  0.2234% (0.22   0.02   0.02) =   0.068%
          QD2   LEU   98 - HB2   CYS   21  12.07 +/- 3.35   3.147% *  0.2234% (0.22   0.02   0.02) =   0.025%
          QD1   LEU  104 - HB2   CYS   21  14.57 +/- 3.58   1.947% *  0.2234% (0.22   0.02   0.02) =   0.015%
          QD2   LEU  115 - HB2   CYS   21  16.98 +/- 2.98   0.884% *  0.4499% (0.45   0.02   0.02) =   0.014%
    Distance limit 3.79 A violated in 1 structures by 0.24 A, kept.
 
    Peak 2354 (4.60, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 2.77, residual support = 29.8:
      O T HA    CYS   21 - HB2   CYS   21   2.59 +/- 0.20  96.755% * 99.6850% (0.92  10.0 10.00   2.77  29.82) =  99.997%  kept
          HA    LYS+ 102 - HB2   CYS   21  19.18 +/- 4.21   2.707% *  0.1058% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HA    TRP   49 - HB2   CYS   21  22.33 +/- 3.57   0.194% *  0.0825% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB2   CYS   21  21.10 +/- 2.62   0.206% *  0.0611% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB2   CYS   21  24.67 +/- 2.59   0.137% *  0.0655% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2355 (7.35, 3.08, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.755, support = 3.09, residual support = 6.2:
          HD2   HIS   22 - HB2   CYS   21   5.94 +/- 0.54  29.366% * 73.7413% (0.92   3.73   8.06) =  57.782%  kept
          HN    THR   23 - HB2   CYS   21   4.16 +/- 0.89  63.331% * 24.9516% (0.53   2.22   3.66) =  42.165%  kept
          HN    LEU   67 - HB2   CYS   21  14.98 +/- 2.53   2.314% *  0.3837% (0.90   0.02   0.02) =   0.024%
          HD21  ASN   35 - HB2   CYS   21  15.37 +/- 1.86   1.825% *  0.2251% (0.53   0.02   0.02) =   0.011%
          QE    PHE   95 - HB2   CYS   21  15.62 +/- 2.13   1.771% *  0.2082% (0.49   0.02   0.02) =   0.010%
          HD1   TRP   49 - HB2   CYS   21  22.17 +/- 3.31   0.684% *  0.4240% (0.99   0.02   0.02) =   0.008%
          QD    PHE   55 - HB2   CYS   21  21.85 +/- 3.36   0.710% *  0.0660% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.18 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2356 (7.93, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.41, residual support = 29.8:
      O   HN    CYS   21 - HB2   CYS   21   3.06 +/- 0.47  94.062% * 99.8294% (0.95  10.0   3.41  29.82) =  99.997%  kept
          HN    LYS+  33 - HB2   CYS   21  10.47 +/- 1.52   3.267% *  0.0640% (0.61   1.0   0.02   0.02) =   0.002%
          HN    ILE  119 - HB2   CYS   21  21.07 +/- 3.66   0.618% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB2   CYS   21  14.76 +/- 2.36   1.422% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   CYS   21  17.81 +/- 2.99   0.631% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2358 (1.84, 2.60, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.395, support = 0.02, residual support = 0.02:
          HB    VAL   41 - HB3   CYS   21  11.28 +/- 3.95  17.929% *  9.0526% (0.44   0.02   0.02) =  23.995%  kept
          QB    LYS+  33 - HB3   CYS   21  10.02 +/- 1.64  20.823% *  4.7734% (0.23   0.02   0.02) =  14.694%  kept
          HG12  ILE  103 - HB3   CYS   21  16.47 +/- 4.10   8.232% * 11.2053% (0.55   0.02   0.02) =  13.637%  kept
          QB    LYS+  66 - HB3   CYS   21  15.11 +/- 2.82  10.695% *  6.2738% (0.31   0.02   0.02) =   9.920%  kept
          HG    LEU  123 - HB3   CYS   21  23.08 +/- 5.00   3.468% * 13.7167% (0.67   0.02   0.02) =   7.032%  kept
          HB3   ASP- 105 - HB3   CYS   21  18.75 +/- 4.37   5.926% *  6.2738% (0.31   0.02   0.02) =   5.496%  kept
          HG3   PRO   68 - HB3   CYS   21  18.84 +/- 2.78   3.934% *  7.9226% (0.39   0.02   0.02) =   4.608%  kept
          HB    ILE  103 - HB3   CYS   21  18.82 +/- 4.33   4.156% *  7.3624% (0.36   0.02   0.02) =   4.524%  kept
          QB    LYS+  81 - HB3   CYS   21  15.47 +/- 3.19   9.292% *  3.1155% (0.15   0.02   0.02) =   4.280%  kept
          HB3   PRO   52 - HB3   CYS   21  24.42 +/- 2.87   1.793% * 13.7167% (0.67   0.02   0.02) =   3.636%  kept
          HG2   ARG+  54 - HB3   CYS   21  23.08 +/- 3.99   2.784% *  6.8115% (0.33   0.02   0.02) =   2.804%  kept
          HB3   GLN   90 - HB3   CYS   21  20.24 +/- 3.72   4.597% *  3.8908% (0.19   0.02   0.02) =   2.644%  kept
          QB    LYS+ 106 - HB3   CYS   21  17.40 +/- 2.66   3.970% *  2.7693% (0.14   0.02   0.02) =   1.625%  kept
          HG2   PRO   93 - HB3   CYS   21  20.87 +/- 2.74   2.399% *  3.1155% (0.15   0.02   0.02) =   1.105%  kept
    Distance limit 3.87 A violated in 17 structures by 3.89 A, eliminated.
    Peak unassigned.
 
    Peak 2359 (1.49, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.603, support = 2.01, residual support = 3.0:
          QG2   THR   26 - HB3   CYS   21   3.63 +/- 1.70  65.188% * 75.1004% (0.60   2.16   2.53) =  90.858%  kept
          HB2   LYS+  74 - HB3   CYS   21   7.58 +/- 1.65  21.697% * 22.4023% (0.69   0.56   7.87) =   9.021%  kept
          HG2   LYS+  65 - HB3   CYS   21  14.40 +/- 2.86   5.705% *  0.6417% (0.55   0.02   0.02) =   0.068%
          HB3   LEU   40 - HB3   CYS   21  15.03 +/- 3.51   2.973% *  0.4537% (0.39   0.02   0.02) =   0.025%
          HD2   LYS+ 121 - HB3   CYS   21  20.58 +/- 5.13   0.986% *  0.5819% (0.50   0.02   0.02) =   0.011%
          QD    LYS+  66 - HB3   CYS   21  16.35 +/- 2.70   1.909% *  0.2733% (0.23   0.02   0.02) =   0.010%
          QB    ALA  120 - HB3   CYS   21  20.04 +/- 4.42   0.774% *  0.2733% (0.23   0.02   0.02) =   0.004%
          HG    LEU  115 - HB3   CYS   21  20.52 +/- 3.03   0.768% *  0.2733% (0.23   0.02   0.02) =   0.004%
    Distance limit 4.15 A violated in 1 structures by 0.17 A, kept.
 
    Peak 2360 (0.57, 2.60, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.558, support = 1.34, residual support = 6.84:
          QD1   LEU   73 - HB3   CYS   21   3.88 +/- 2.19  40.688% * 59.8788% (0.55   1.50   8.03) =  84.779%  kept
          QD2   LEU   63 - HB3   CYS   21  12.68 +/- 3.46  12.866% * 24.3275% (0.63   0.53   0.24) =  10.891%  kept
          QD1   LEU   63 - HB3   CYS   21  12.48 +/- 3.05   8.031% * 13.8967% (0.55   0.35   0.24) =   3.884%  kept
          QD2   LEU   80 - HB3   CYS   21  10.43 +/- 5.13  11.838% *  0.4099% (0.28   0.02   0.02) =   0.169%  kept
          QG2   VAL   41 - HB3   CYS   21   9.42 +/- 3.38  12.513% *  0.3742% (0.26   0.02   0.02) =   0.163%  kept
          QD1   LEU   80 - HB3   CYS   21  10.95 +/- 5.47   7.430% *  0.2220% (0.15   0.02   0.02) =   0.057%
          QD2   LEU   98 - HB3   CYS   21  11.95 +/- 3.38   3.177% *  0.2220% (0.15   0.02   0.02) =   0.025%
          QD1   LEU  104 - HB3   CYS   21  14.49 +/- 3.83   2.719% *  0.2220% (0.15   0.02   0.02) =   0.021%
          QD2   LEU  115 - HB3   CYS   21  16.85 +/- 3.07   0.738% *  0.4470% (0.31   0.02   0.02) =   0.011%
    Distance limit 3.96 A violated in 1 structures by 0.10 A, kept.
 
    Peak 2361 (7.93, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.65, support = 3.4, residual support = 29.8:
      O   HN    CYS   21 - HB3   CYS   21   2.97 +/- 0.54  94.783% * 99.8294% (0.65  10.0   3.40  29.82) =  99.997%  kept
          HN    LYS+  33 - HB3   CYS   21  10.54 +/- 1.57   2.830% *  0.0640% (0.42   1.0   0.02   0.02) =   0.002%
          HN    ILE   89 - HB3   CYS   21  17.49 +/- 2.82   0.864% *  0.0326% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   CYS   21  14.90 +/- 2.06   1.144% *  0.0185% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   CYS   21  20.98 +/- 3.81   0.379% *  0.0555% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2362 (7.74, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.525, support = 0.709, residual support = 1.41:
          HN    TRP   27 - HB3   CYS   21   4.08 +/- 1.51  66.537% * 88.0934% (0.52   0.72   1.42) =  98.995%  kept
          HN    THR   39 - HB3   CYS   21  14.48 +/- 2.53   6.905% *  3.0457% (0.65   0.02   0.02) =   0.355%  kept
          HD1   TRP   87 - HB3   CYS   21  14.90 +/- 3.22   6.222% *  2.9721% (0.63   0.02   0.02) =   0.312%  kept
          HN    ALA   61 - HB3   CYS   21  14.86 +/- 2.35   5.801% *  1.0983% (0.23   0.02   0.02) =   0.108%  kept
          HN    GLU-  36 - HB3   CYS   21  14.55 +/- 1.79   3.331% *  1.8228% (0.39   0.02   0.02) =   0.103%  kept
          HE3   TRP   87 - HB3   CYS   21  15.68 +/- 3.91   7.940% *  0.4357% (0.09   0.02   0.02) =   0.058%
          HN    LYS+ 102 - HB3   CYS   21  18.74 +/- 3.92   1.941% *  1.2084% (0.26   0.02   0.02) =   0.040%
          HN    ALA   91 - HB3   CYS   21  19.65 +/- 2.55   1.322% *  1.3236% (0.28   0.02   0.02) =   0.030%
    Distance limit 4.14 A violated in 3 structures by 0.48 A, kept.
 
    Peak 2363 (7.35, 2.60, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.522, support = 3.24, residual support = 6.25:
          HD2   HIS   22 - HB3   CYS   21   5.98 +/- 0.67  27.354% * 76.7195% (0.63   4.07   8.06) =  58.852%  kept
          HN    THR   23 - HB3   CYS   21   3.85 +/- 0.79  66.525% * 22.0317% (0.36   2.05   3.66) =  41.102%  kept
          HN    LEU   67 - HB3   CYS   21  14.98 +/- 2.51   2.501% *  0.3666% (0.62   0.02   0.02) =   0.026%
          HD21  ASN   35 - HB3   CYS   21  15.43 +/- 1.67   1.201% *  0.2151% (0.36   0.02   0.02) =   0.007%
          QE    PHE   95 - HB3   CYS   21  15.43 +/- 2.25   1.256% *  0.1990% (0.33   0.02   0.02) =   0.007%
          HD1   TRP   49 - HB3   CYS   21  22.00 +/- 3.41   0.436% *  0.4051% (0.68   0.02   0.02) =   0.005%
          QD    PHE   55 - HB3   CYS   21  21.76 +/- 3.43   0.726% *  0.0631% (0.11   0.02   0.02) =   0.001%
    Distance limit 4.23 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2364 (4.60, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.72, residual support = 29.8:
      O T HA    CYS   21 - HB3   CYS   21   2.78 +/- 0.26  95.929% * 99.6850% (0.63  10.0 10.00   2.72  29.82) =  99.996%  kept
          HA    LYS+ 102 - HB3   CYS   21  19.01 +/- 4.56   3.316% *  0.1058% (0.67   1.0  1.00   0.02   0.02) =   0.004%
          HA    TRP   49 - HB3   CYS   21  22.21 +/- 3.81   0.294% *  0.0825% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB3   CYS   21  20.96 +/- 2.87   0.300% *  0.0611% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB3   CYS   21  24.37 +/- 2.35   0.160% *  0.0655% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2365 (7.35, 3.50, 29.58 ppm):
    7 chemical-shift based assignments, quality = 0.712, support = 2.89, residual support = 34.0:
      O   HD2   HIS   22 - HB2   HIS   22   3.88 +/- 0.23  55.682% * 87.2208% (0.74  10.0   2.69  35.14) =  91.559%  kept
          HN    THR   23 - HB2   HIS   22   4.51 +/- 0.13  35.814% * 12.4906% (0.42   1.0   5.03  21.48) =   8.433%  kept
          HN    LEU   67 - HB2   HIS   22  17.19 +/- 3.74   1.573% *  0.0847% (0.72   1.0   0.02   0.02) =   0.003%
          QE    PHE   95 - HB2   HIS   22  16.96 +/- 3.97   2.554% *  0.0460% (0.39   1.0   0.02   0.02) =   0.002%
          HD1   TRP   49 - HB2   HIS   22  21.10 +/- 5.24   0.666% *  0.0936% (0.79   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - HB2   HIS   22  21.77 +/- 5.61   3.335% *  0.0146% (0.12   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB2   HIS   22  21.08 +/- 1.67   0.376% *  0.0497% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2366 (7.36, 3.24, 29.58 ppm):
    6 chemical-shift based assignments, quality = 0.93, support = 3.32, residual support = 34.9:
      O   HD2   HIS   22 - HB3   HIS   22   3.08 +/- 0.35  68.419% * 94.8120% (0.95  10.0   3.27  35.14) =  97.896%  kept
          HN    THR   23 - HB3   HIS   22   4.31 +/- 0.28  28.158% *  4.9475% (0.18   1.0   5.64  21.48) =   2.102%  kept
          HN    LEU   67 - HB3   HIS   22  17.47 +/- 3.47   1.138% *  0.0488% (0.49   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - HB3   HIS   22  17.51 +/- 3.62   1.742% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   HIS   22  20.41 +/- 1.66   0.260% *  0.0925% (0.92   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   HIS   22  21.98 +/- 4.79   0.283% *  0.0837% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2367 (1.30, 3.24, 29.58 ppm):
    5 chemical-shift based assignments, quality = 0.343, support = 3.45, residual support = 21.4:
          QG2   THR   23 - HB3   HIS   22   3.56 +/- 0.39  81.787% * 96.1419% (0.34   3.46  21.48) =  99.647%  kept
          QG2   THR   77 - HB3   HIS   22  12.63 +/- 2.98  16.087% *  1.6131% (0.99   0.02   0.02) =   0.329%  kept
          QB    ALA   88 - HB3   HIS   22  18.90 +/- 2.97   1.182% *  1.1818% (0.73   0.02   0.02) =   0.018%
          HG2   LYS+  38 - HB3   HIS   22  22.00 +/- 2.77   0.440% *  0.6108% (0.38   0.02   0.02) =   0.003%
          HG2   LYS+  99 - HB3   HIS   22  22.27 +/- 4.79   0.504% *  0.4525% (0.28   0.02   0.02) =   0.003%
    Distance limit 3.98 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2368 (7.03, 3.44, 70.99 ppm):
    2 chemical-shift based assignments, quality = 0.414, support = 3.03, residual support = 10.8:
          HN    ALA   47 - HB    THR   46   3.32 +/- 0.75  87.507% * 66.1761% (0.38   3.20  11.60) =  93.199%  kept
          QD    PHE   95 - HB    THR   46   8.03 +/- 1.39  12.493% * 33.8239% (0.95   0.65   0.02) =   6.801%  kept
    Distance limit 4.25 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2369 (8.47, 3.44, 70.99 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.23, residual support = 34.2:
      O   HN    THR   46 - HB    THR   46   3.40 +/- 0.42  72.361% * 99.6646% (0.87  10.0   3.23  34.25) =  99.968%  kept
          HN    MET   92 - HB    THR   46   9.09 +/- 2.53  17.273% *  0.0789% (0.69   1.0   0.02   0.02) =   0.019%
          HN    LYS+  74 - HB    THR   46  11.35 +/- 2.85   6.232% *  0.1126% (0.98   1.0   0.02   0.02) =   0.010%
          HN    LYS+ 112 - HB    THR   46  13.53 +/- 3.63   4.012% *  0.0604% (0.53   1.0   0.02   0.02) =   0.003%
          HN    MET   11 - HB    THR   46  32.41 +/- 5.00   0.122% *  0.0834% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2370 (1.31, 3.50, 29.58 ppm):
    8 chemical-shift based assignments, quality = 0.423, support = 0.02, residual support = 0.02:
        T HB2   LEU   63 - HB2   HIS   22  16.50 +/- 4.17  14.810% * 28.3087% (0.14 10.00   0.02   0.02) =  34.441%  kept
          QG2   THR   77 - HB2   HIS   22  11.95 +/- 3.09  25.248% * 12.9434% (0.64  1.00   0.02   0.02) =  26.846%  kept
          QB    ALA   88 - HB2   HIS   22  18.38 +/- 3.14   9.263% * 16.1643% (0.80  1.00   0.02   0.02) =  12.300%  kept
          HB3   LEU   80 - HB2   HIS   22  13.24 +/- 5.06  25.886% *  4.0306% (0.20  1.00   0.02   0.02) =   8.571%  kept
          HB2   LEU   31 - HB2   HIS   22  15.71 +/- 1.00  12.542% *  6.0667% (0.30  1.00   0.02   0.02) =   6.251%  kept
          HG2   LYS+  99 - HB2   HIS   22  22.41 +/- 4.72   6.119% * 11.7377% (0.58  1.00   0.02   0.02) =   5.901%  kept
          HG2   LYS+  38 - HB2   HIS   22  22.52 +/- 3.00   3.970% * 13.5016% (0.67  1.00   0.02   0.02) =   4.403%  kept
          HG2   LYS+ 111 - HB2   HIS   22  27.49 +/- 4.76   2.162% *  7.2470% (0.36  1.00   0.02   0.02) =   1.287%  kept
    Distance limit 4.03 A violated in 18 structures by 5.28 A, eliminated.
    Peak unassigned.
 
    Peak 2372 (7.93, 4.63, 51.23 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.41, residual support = 16.1:
      O   HN    CYS   21 - HA    ALA   20   2.25 +/- 0.05  98.217% * 99.8294% (0.95  10.0   3.41  16.08) =  99.999%  kept
          HN    LYS+  33 - HA    ALA   20  12.50 +/- 1.29   0.679% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ALA   20  19.13 +/- 3.95   0.421% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ALA   20  15.43 +/- 2.30   0.448% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ALA   20  18.04 +/- 2.29   0.235% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2373 (5.03, 4.63, 51.23 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.02, residual support = 0.02:
          HA    ASP-  76 - HA    ALA   20   9.89 +/- 1.45 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.28 A violated in 20 structures by 6.62 A, eliminated.
    Peak unassigned.
 
    Peak 2374 (2.40, 4.68, 56.96 ppm):
    5 chemical-shift based assignments, quality = 0.638, support = 0.02, residual support = 0.02:
          QG    GLU-  79 - HA    HIS   22   8.95 +/- 4.24  46.538% * 18.5628% (0.57   0.02   0.02) =  44.520%  kept
          QG    GLN   32 - HA    HIS   22  15.87 +/- 1.08  13.675% * 27.4474% (0.85   0.02   0.02) =  19.343%  kept
          HB    VAL  107 - HA    HIS   22  19.73 +/- 3.92  12.106% * 26.5475% (0.82   0.02   0.02) =  16.563%  kept
          HB3   PHE   45 - HA    HIS   22  15.01 +/- 2.75  16.877% * 13.7211% (0.42   0.02   0.02) =  11.934%  kept
          QE    LYS+ 112 - HA    HIS   22  20.46 +/- 5.36  10.803% * 13.7211% (0.42   0.02   0.02) =   7.639%  kept
    Distance limit 3.39 A violated in 17 structures by 4.58 A, eliminated.
    Peak unassigned.
 
    Peak 2375 (1.67, 4.68, 56.96 ppm):
    12 chemical-shift based assignments, quality = 0.381, support = 0.02, residual support = 0.02:
        T HB2   LEU   73 - HA    HIS   22   7.10 +/- 1.70  34.775% * 28.4146% (0.26 10.00   0.02   0.02) =  72.586%  kept
          QD    LYS+ 102 - HA    HIS   22  21.23 +/- 4.89   8.091% *  9.8627% (0.91  1.00   0.02   0.02) =   5.862%  kept
          HB    VAL   83 - HA    HIS   22  13.44 +/- 4.29   8.874% *  8.1833% (0.76  1.00   0.02   0.02) =   5.334%  kept
          HB2   LYS+ 121 - HA    HIS   22  21.46 +/- 6.30   8.036% *  7.0200% (0.65  1.00   0.02   0.02) =   4.144%  kept
          QD    LYS+  65 - HA    HIS   22  13.20 +/- 3.06   7.220% *  7.4210% (0.69  1.00   0.02   0.02) =   3.936%  kept
          HD2   LYS+  74 - HA    HIS   22   8.96 +/- 1.56  19.372% *  1.7898% (0.17  1.00   0.02   0.02) =   2.547%  kept
          HB2   LEU  123 - HA    HIS   22  24.20 +/- 6.30   2.431% *  8.1833% (0.76  1.00   0.02   0.02) =   1.461%  kept
          QD    LYS+  38 - HA    HIS   22  19.95 +/- 2.89   1.886% *  9.4340% (0.87  1.00   0.02   0.02) =   1.307%  kept
          HG3   PRO   93 - HA    HIS   22  19.82 +/- 2.71   2.020% *  8.5362% (0.79  1.00   0.02   0.02) =   1.266%  kept
          HB3   MET   92 - HA    HIS   22  19.17 +/- 2.99   2.532% *  4.2014% (0.39  1.00   0.02   0.02) =   0.781%  kept
          QD    LYS+ 106 - HA    HIS   22  17.75 +/- 3.49   3.964% *  1.5768% (0.15  1.00   0.02   0.02) =   0.459%  kept
          HD2   LYS+ 111 - HA    HIS   22  26.77 +/- 4.25   0.799% *  5.3768% (0.50  1.00   0.02   0.02) =   0.316%  kept
    Distance limit 3.54 A violated in 16 structures by 2.76 A, eliminated.
    Peak unassigned.
 
    Peak 2376 (8.91, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.364, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    HIS   22  10.39 +/- 0.49  77.072% * 67.5049% (0.39   0.02   0.02) =  87.473%  kept
          HN    LEU   40 - HA    HIS   22  18.03 +/- 3.28  22.928% * 32.4951% (0.19   0.02   0.02) =  12.527%  kept
    Distance limit 3.68 A violated in 20 structures by 6.51 A, eliminated.
    Peak unassigned.
 
    Peak 2377 (0.51, 4.68, 56.96 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2378 (9.20, 4.83, 58.62 ppm):
    1 chemical-shift based assignment, quality = 0.641, support = 5.38, residual support = 25.8:
      O   HN    VAL   24 - HA    THR   23   2.29 +/- 0.16 100.000% *100.0000% (0.64  10.0   5.38  25.78) = 100.000%  kept
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2379 (9.23, 4.81, 72.92 ppm):
    1 chemical-shift based assignment, quality = 0.487, support = 5.3, residual support = 25.8:
          HN    VAL   24 - HB    THR   23   3.74 +/- 0.42 100.000% *100.0000% (0.49   5.30  25.78) = 100.000%  kept
    Distance limit 3.54 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2380 (7.35, 1.28, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.731, support = 4.55, residual support = 19.4:
          HN    THR   23 - QG2   THR   23   3.06 +/- 0.55  54.354% * 63.1699% (0.73   4.87  19.05) =  86.084%  kept
          HD2   HIS   22 - QG2   THR   23   5.13 +/- 1.00  15.796% * 35.0335% (0.76   2.56  21.48) =  13.874%  kept
          HE3   TRP   27 - QG2   THR   23   8.40 +/- 0.95   2.991% *  0.0796% (0.22   0.02   1.33) =   0.006%
          HN    LEU   67 - QG2   THR   23  16.17 +/- 2.75   0.503% *  0.3544% (0.99   0.02   0.02) =   0.004%
          QE    PHE   95 - QG2   THR   23  15.43 +/- 2.26   0.697% *  0.2456% (0.69   0.02   0.02) =   0.004%
          HD1   TRP   49 - QG2   THR   23  18.98 +/- 3.81   0.505% *  0.3206% (0.90   0.02   0.02) =   0.004%
          HD21  ASN   35 - QG2   THR   39   9.38 +/- 1.70   5.590% *  0.0272% (0.08   0.02   0.11) =   0.004%
          HN    LEU   67 - QG2   THR   39  10.86 +/- 1.86   1.618% *  0.0789% (0.22   0.02   0.02) =   0.003%
          QE    PHE   95 - QB    ALA   91   8.15 +/- 1.45   4.304% *  0.0258% (0.07   0.02   0.02) =   0.003%
          HD1   TRP   49 - QB    ALA   91   9.68 +/- 2.65   2.913% *  0.0337% (0.09   0.02   0.02) =   0.002%
          QD    PHE   55 - QG2   THR   23  20.00 +/- 3.74   0.813% *  0.0994% (0.28   0.02   0.02) =   0.002%
          HD2   HIS   22 - QG2   THR   39  14.36 +/- 3.86   1.139% *  0.0608% (0.17   0.02   0.02) =   0.002%
          HN    THR   23 - QG2   THR   39  14.17 +/- 2.70   0.999% *  0.0578% (0.16   0.02   0.02) =   0.001%
          HD21  ASN   35 - QG2   THR   23  16.14 +/- 1.34   0.441% *  0.1220% (0.34   0.02   0.02) =   0.001%
          QE    PHE   95 - QG2   THR   39  14.22 +/- 2.00   0.837% *  0.0547% (0.15   0.02   0.02) =   0.001%
          HE3   TRP   27 - QG2   THR   39   9.92 +/- 1.52   2.523% *  0.0177% (0.05   0.02   0.02) =   0.001%
          HD1   TRP   49 - QG2   THR   39  21.77 +/- 3.66   0.247% *  0.0714% (0.20   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    ALA   91  18.03 +/- 1.84   0.377% *  0.0373% (0.10   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   91  12.53 +/- 2.58   1.336% *  0.0105% (0.03   0.02   0.02) =   0.000%
          HN    THR   23 - QB    ALA   91  17.39 +/- 2.28   0.426% *  0.0273% (0.08   0.02   0.02) =   0.000%
          HD2   HIS   22 - QB    ALA   91  19.32 +/- 1.90   0.325% *  0.0287% (0.08   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   39  19.55 +/- 2.39   0.317% *  0.0221% (0.06   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   91  22.80 +/- 4.12   0.421% *  0.0128% (0.04   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    ALA   91  15.98 +/- 1.67   0.526% *  0.0084% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2381 (2.46, 3.81, 65.84 ppm):
    5 chemical-shift based assignments, quality = 0.341, support = 1.83, residual support = 10.8:
          HB3   ASP-  86 - HA    VAL   83   2.60 +/- 0.80  96.450% * 91.4878% (0.34   1.83  10.80) =  99.902%  kept
          HG3   MET   96 - HA    VAL   83  12.79 +/- 3.07   1.575% *  2.9252% (1.00   0.02   0.02) =   0.052%
          HG2   GLU-  36 - HA    VAL   83  24.51 +/- 6.40   1.052% *  2.7003% (0.92   0.02   0.02) =   0.032%
          HB3   ASP-  62 - HA    VAL   83  22.17 +/- 2.27   0.404% *  2.2355% (0.76   0.02   0.02) =   0.010%
          HG2   GLU-  29 - HA    VAL   83  19.13 +/- 5.65   0.519% *  0.6512% (0.22   0.02   0.02) =   0.004%
    Distance limit 4.09 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2382 (2.93, 3.81, 65.84 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 2.25, residual support = 10.8:
        T HB2   ASP-  86 - HA    VAL   83   2.84 +/- 0.59  93.531% * 99.6258% (0.98 10.00   2.25  10.80) =  99.996%  kept
          HB2   ASN   28 - HA    VAL   83  15.99 +/- 6.43   1.552% *  0.0912% (0.90  1.00   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HA    VAL   83  12.10 +/- 1.63   3.531% *  0.0283% (0.28  1.00   0.02   0.02) =   0.001%
          QE    LYS+  65 - HA    VAL   83  20.42 +/- 3.64   0.484% *  0.0996% (0.98  1.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    VAL   83  18.85 +/- 4.21   0.506% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    VAL   83  22.52 +/- 6.54   0.394% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2383 (6.61, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 4.7, residual support = 85.6:
      O   HN    VAL   83 - HA    VAL   83   2.80 +/- 0.03  98.865% * 99.7575% (0.57  10.0   4.70  85.61) =  99.999%  kept
          HN    CYS   50 - HA    VAL   83  18.93 +/- 2.87   0.442% *  0.1700% (0.97   1.0   0.02   0.02) =   0.001%
          HN    TRP   49 - HA    VAL   83  17.70 +/- 3.12   0.692% *  0.0724% (0.41   1.0   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2384 (8.31, 3.81, 65.84 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 2.25, residual support = 10.8:
          HN    ASP-  86 - HA    VAL   83   2.91 +/- 0.19  96.557% * 97.0740% (0.95   2.25  10.80) =  99.977%  kept
          HN    GLN   30 - HA    VAL   83  16.78 +/- 5.15   0.984% *  0.8941% (0.98   0.02   0.02) =   0.009%
          HN    GLU-  29 - HA    VAL   83  16.84 +/- 5.68   1.059% *  0.5164% (0.57   0.02   0.02) =   0.006%
          HN    LYS+  99 - HA    VAL   83  17.81 +/- 4.32   0.739% *  0.4090% (0.45   0.02   0.02) =   0.003%
          HN    GLU-  14 - HA    VAL   83  25.28 +/- 5.53   0.436% *  0.6266% (0.69   0.02   0.02) =   0.003%
          HE1   HIS  122 - HA    VAL   83  24.60 +/- 3.80   0.226% *  0.4799% (0.53   0.02   0.02) =   0.001%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2385 (7.74, 3.81, 65.84 ppm):
    8 chemical-shift based assignments, quality = 0.718, support = 4.26, residual support = 16.7:
          HD1   TRP   87 - HA    VAL   83   4.12 +/- 0.31  75.742% * 87.2200% (0.73   4.31  16.74) =  98.258%  kept
          HE3   TRP   87 - HA    VAL   83   8.10 +/- 0.45  10.324% * 10.8517% (0.28   1.40  16.74) =   1.666%  kept
          HN    TRP   27 - HA    VAL   83  14.78 +/- 5.31   3.616% *  0.5269% (0.95   0.02   0.37) =   0.028%
          HN    ALA   91 - HA    VAL   83  11.61 +/- 1.35   4.870% *  0.3603% (0.65   0.02   0.02) =   0.026%
          HN    THR   39 - HA    VAL   83  21.27 +/- 5.80   1.821% *  0.4256% (0.76   0.02   0.02) =   0.012%
          HN    GLU-  36 - HA    VAL   83  22.38 +/- 6.12   1.416% *  0.1900% (0.34   0.02   0.02) =   0.004%
          HN    ALA   61 - HA    VAL   83  20.10 +/- 2.54   0.804% *  0.3153% (0.57   0.02   0.02) =   0.004%
          HN    LYS+ 102 - HA    VAL   83  19.17 +/- 5.00   1.406% *  0.1102% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.85 A violated in 0 structures by 0.31 A, kept.
 
    Peak 2386 (0.57, 3.77, 66.14 ppm):
    9 chemical-shift based assignments, quality = 0.654, support = 1.44, residual support = 2.67:
          QD1   LEU   73 - HA    VAL   24   5.35 +/- 2.21  26.036% * 46.1109% (0.80   1.46   1.87) =  56.432%  kept
          QD2   LEU   80 - HA    VAL   24   9.29 +/- 7.01  25.958% * 27.5600% (0.41   1.70   4.33) =  33.628%  kept
          QD2   LEU   63 - HA    VAL   24  14.19 +/- 3.73   6.055% * 16.7030% (0.92   0.46   0.02) =   4.754%  kept
          QD1   LEU   80 - HA    VAL   24  10.02 +/- 6.90  12.550% *  5.8948% (0.22   0.67   4.33) =   3.477%  kept
          QD1   LEU   63 - HA    VAL   24  13.53 +/- 3.92  11.983% *  2.7309% (0.80   0.09   0.02) =   1.538%  kept
          QD1   LEU  104 - HA    VAL   24  14.77 +/- 4.11   7.587% *  0.1755% (0.22   0.02   0.02) =   0.063%
          QG2   VAL   41 - HA    VAL   24  10.00 +/- 2.73   3.916% *  0.2959% (0.38   0.02   0.02) =   0.054%
          QD2   LEU   98 - HA    VAL   24  11.52 +/- 3.91   5.310% *  0.1755% (0.22   0.02   0.02) =   0.044%
          QD2   LEU  115 - HA    VAL   24  17.36 +/- 3.43   0.606% *  0.3534% (0.45   0.02   0.02) =   0.010%
    Distance limit 3.12 A violated in 2 structures by 0.34 A, kept.
 
    Peak 2387 (2.11, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 64.9:
      O T HB    VAL   24 - HA    VAL   24   2.49 +/- 0.24  97.184% * 98.9275% (1.00  10.0 10.00   3.97  64.95) =  99.996%  kept
        T HB2   PRO   68 - HA    VAL   24  21.41 +/- 3.21   0.217% *  0.8581% (0.87   1.0 10.00   0.02   0.02) =   0.002%
          QB    GLN   32 - HA    VAL   24  10.52 +/- 0.47   1.389% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HA    VAL   24  19.05 +/- 4.93   0.727% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HA    VAL   24  21.03 +/- 4.24   0.328% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    VAL   24  23.65 +/- 3.92   0.155% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2388 (2.99, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.0, residual support = 26.7:
        T HB3   TRP   27 - HA    VAL   24   3.47 +/- 0.41  87.991% * 99.7179% (1.00 10.00   3.00  26.67) =  99.991%  kept
          HB2   PHE   97 - HA    VAL   24  16.72 +/- 4.06   4.051% *  0.0991% (0.99  1.00   0.02   0.02) =   0.005%
          QE    LYS+ 106 - HA    VAL   24  16.03 +/- 3.78   1.719% *  0.0647% (0.65  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HA    VAL   24  16.55 +/- 3.22   2.244% *  0.0448% (0.45  1.00   0.02   0.02) =   0.001%
          QE    LYS+  99 - HA    VAL   24  16.76 +/- 3.60   1.928% *  0.0486% (0.49  1.00   0.02   0.02) =   0.001%
          QE    LYS+  38 - HA    VAL   24  16.96 +/- 3.44   2.068% *  0.0249% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2389 (9.22, 3.77, 66.14 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.34, residual support = 64.9:
      O   HN    VAL   24 - HA    VAL   24   2.77 +/- 0.06 100.000% *100.0000% (0.97  10.0   4.34  64.95) = 100.000%  kept
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2390 (8.79, 3.77, 66.14 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.77, residual support = 31.3:
      O   HN    GLU-  25 - HA    VAL   24   3.59 +/- 0.03  51.651% * 84.3221% (0.92  10.0   5.65  34.03) =  85.944%  kept
          HN    ASN   28 - HA    VAL   24   3.77 +/- 0.32  45.671% * 15.5915% (0.53   1.0   6.49  14.83) =  14.052%  kept
          HN    ASP-  44 - HA    VAL   24  11.52 +/- 2.70   2.678% *  0.0864% (0.95   1.0   0.02   0.02) =   0.005%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2391 (7.75, 3.77, 66.14 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 3.05, residual support = 26.6:
          HN    TRP   27 - HA    VAL   24   3.07 +/- 0.21  87.554% * 94.6950% (0.45   3.05  26.67) =  99.860%  kept
          HN    LYS+ 102 - HA    VAL   24  18.35 +/- 4.63   5.536% *  0.9499% (0.69   0.02   0.02) =   0.063%
          HD1   TRP   87 - HA    VAL   24  13.07 +/- 4.76   2.964% *  1.3707% (0.99   0.02   0.02) =   0.049%
          HN    THR   39 - HA    VAL   24  16.17 +/- 1.74   0.696% *  1.3555% (0.98   0.02   0.02) =   0.011%
          HN    GLU-  36 - HA    VAL   24  15.90 +/- 0.77   0.675% *  1.1996% (0.87   0.02   0.02) =   0.010%
          HN    ALA   61 - HA    VAL   24  16.04 +/- 3.23   2.028% *  0.1872% (0.14   0.02   0.02) =   0.005%
          HN    ALA   91 - HA    VAL   24  17.93 +/- 3.06   0.548% *  0.2422% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2392 (1.11, 2.11, 32.16 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.23, residual support = 64.9:
      O T QG1   VAL   24 - HB    VAL   24   2.12 +/- 0.01  94.663% * 98.9402% (0.98  10.0 10.00   3.23  64.95) =  99.997%  kept
        T QG1   VAL   24 - HB2   PRO   68  19.91 +/- 3.54   0.213% *  0.5853% (0.58   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB    VAL   24  11.51 +/- 0.90   0.634% *  0.0571% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  17.02 +/- 2.58   0.281% *  0.0733% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  18.91 +/- 3.48   0.451% *  0.0338% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.61 +/- 3.32   0.344% *  0.0434% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  14.25 +/- 3.38   1.669% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24  10.07 +/- 0.84   0.965% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  16.49 +/- 3.63   0.390% *  0.0314% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  21.41 +/- 4.20   0.170% *  0.0531% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  24.82 +/- 4.84   0.086% *  0.1009% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  22.34 +/- 3.91   0.132% *  0.0597% (0.59   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2393 (1.07, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 3.19, residual support = 64.9:
      O   QG2   VAL   24 - HB    VAL   24   2.12 +/- 0.01  91.495% * 99.6470% (1.00  10.0   3.19  64.95) =  99.992%  kept
          HG    LEU   63 - HB    VAL   24  17.95 +/- 4.77   5.869% *  0.0979% (0.98   1.0   0.02   0.02) =   0.006%
          HG    LEU   63 - HB2   PRO   68  10.87 +/- 2.65   1.558% *  0.0579% (0.58   1.0   0.02   0.02) =   0.001%
          QG2   VAL   24 - HB2   PRO   68  19.25 +/- 3.28   0.262% *  0.0589% (0.59   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  17.02 +/- 2.58   0.269% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL   24  24.33 +/- 4.53   0.090% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   PRO   68  22.19 +/- 3.87   0.123% *  0.0382% (0.38   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.61 +/- 3.32   0.334% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2394 (0.60, 2.11, 32.16 ppm):
    14 chemical-shift based assignments, quality = 0.721, support = 1.47, residual support = 2.62:
          QD2   LEU   80 - HB    VAL   24   9.41 +/- 7.02  24.515% * 38.7858% (0.80   1.63   4.33) =  47.944%  kept
          QG1   VAL   83 - HB    VAL   24   9.04 +/- 6.25  16.737% * 31.7593% (0.87   1.23   0.61) =  26.803%  kept
          QD1   LEU   73 - HB    VAL   24   6.90 +/- 1.94  20.257% * 20.0042% (0.41   1.64   1.87) =  20.433%  kept
          QD1   LEU   63 - HB    VAL   24  14.41 +/- 3.99  12.820% *  6.7018% (0.41   0.55   0.02) =   4.332%  kept
          QD1   LEU  104 - HB    VAL   24  15.55 +/- 4.64  11.682% *  0.5739% (0.97   0.02   0.02) =   0.338%  kept
          QD1   LEU  104 - HB2   PRO   68  14.83 +/- 5.54   2.182% *  0.3395% (0.57   0.02   0.02) =   0.037%
          QD1   LEU   63 - HB2   PRO   68   9.88 +/- 1.95   5.116% *  0.1446% (0.24   0.02   0.02) =   0.037%
          QD2   LEU  115 - HB    VAL   24  17.62 +/- 3.67   0.792% *  0.4545% (0.76   0.02   0.02) =   0.018%
          QD2   LEU  115 - HB2   PRO   68  15.55 +/- 2.09   1.174% *  0.2689% (0.45   0.02   0.02) =   0.016%
          QG2   ILE   89 - HB    VAL   24  11.56 +/- 3.20   1.992% *  0.1483% (0.25   0.02   0.02) =   0.015%
          QD1   LEU   73 - HB2   PRO   68  15.04 +/- 1.09   1.264% *  0.1446% (0.24   0.02   0.02) =   0.009%
          QD2   LEU   80 - HB2   PRO   68  19.58 +/- 3.43   0.488% *  0.2817% (0.47   0.02   0.02) =   0.007%
          QG1   VAL   83 - HB2   PRO   68  20.53 +/- 3.05   0.443% *  0.3052% (0.51   0.02   0.02) =   0.007%
          QG2   ILE   89 - HB2   PRO   68  18.94 +/- 2.08   0.539% *  0.0877% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.94 A violated in 2 structures by 0.32 A, kept.
 
    Peak 2395 (3.77, 2.11, 32.16 ppm):
    6 chemical-shift based assignments, quality = 0.872, support = 4.02, residual support = 64.0:
      O T HA    VAL   24 - HB    VAL   24   2.49 +/- 0.24  76.499% * 89.0301% (0.90  10.0 10.00   3.97  64.95) =  96.836%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.89 +/- 0.16  21.623% * 10.2842% (0.10  10.0  1.00   5.47  36.33) =   3.162%  kept
        T HA    VAL   24 - HB2   PRO   68  21.41 +/- 3.21   0.169% *  0.5266% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - HB2   PRO   68  16.17 +/- 3.10   1.182% *  0.0527% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - HB    VAL   24  18.57 +/- 2.52   0.247% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  20.50 +/- 3.75   0.281% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2396 (2.10, 1.10, 23.10 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.23, residual support = 64.9:
      O T HB    VAL   24 - QG1   VAL   24   2.12 +/- 0.01  97.195% * 98.6521% (0.92  10.0 10.00   3.23  64.95) =  99.996%  kept
        T HB2   PRO   68 - QG1   VAL   24  19.91 +/- 3.54   0.219% *  1.0592% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          QB    GLN   32 - QG1   VAL   24  10.43 +/- 0.56   0.841% *  0.1031% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU- 100 - QG1   VAL   24  17.64 +/- 4.69   0.774% *  0.0691% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - QG1   VAL   24  18.52 +/- 4.58   0.389% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG1   VAL   24  18.07 +/- 2.61   0.247% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG1   VAL   24  20.12 +/- 3.66   0.157% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL   24  22.68 +/- 4.24   0.178% *  0.0238% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2397 (8.80, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.386, support = 5.55, residual support = 30.8:
      O   HN    ASN   69 - HB2   PRO   68   3.69 +/- 0.50  43.616% * 43.4721% (0.20  10.0   5.84  31.07) =  53.849%  kept
          HN    GLU-  25 - HB    VAL   24   3.82 +/- 0.55  39.717% * 33.2915% (0.53   1.0   5.87  34.03) =  37.551%  kept
          HN    ASN   28 - HB    VAL   24   5.64 +/- 0.38  13.275% * 22.7841% (0.92   1.0   2.29  14.83) =   8.590%  kept
          HN    ASP-  44 - HB    VAL   24  12.27 +/- 2.69   1.718% *  0.1220% (0.57   1.0   0.02   0.02) =   0.006%
          HN    ASP-  44 - HB2   PRO   68  15.94 +/- 1.68   0.615% *  0.0722% (0.33   1.0   0.02   0.02) =   0.001%
          HN    ASN   28 - HB2   PRO   68  21.48 +/- 3.13   0.327% *  0.1176% (0.55   1.0   0.02   0.02) =   0.001%
          HN    ASN   69 - HB    VAL   24  20.47 +/- 3.20   0.464% *  0.0735% (0.34   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HB2   PRO   68  23.97 +/- 3.81   0.268% *  0.0671% (0.31   1.0   0.02   0.02) =   0.001%
    Distance limit 3.49 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2398 (9.23, 2.11, 32.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 4.68, residual support = 64.9:
      O   HN    VAL   24 - HB    VAL   24   2.54 +/- 0.28  99.726% * 99.9409% (0.38  10.0   4.68  64.95) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  22.86 +/- 3.78   0.274% *  0.0591% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2399 (9.23, 1.10, 23.10 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.08, residual support = 64.9:
          HN    VAL   24 - QG1   VAL   24   2.05 +/- 0.31 100.000% *100.0000% (0.73   4.08  64.95) = 100.000%  kept
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2400 (8.80, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.421, support = 6.04, residual support = 125.2:
      O   HN    GLU-  25 - HB2   GLU-  25   2.81 +/- 0.41  86.893% * 88.8124% (0.41  10.0   6.12 127.38) =  98.278%  kept
          HN    ASN   28 - HB2   GLU-  25   5.69 +/- 0.16  12.292% * 10.9939% (0.98   1.0   1.04   3.81) =   1.721%  kept
          HN    ASP-  44 - HB2   GLU-  25  16.74 +/- 2.70   0.555% *  0.0969% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASN   69 - HB2   GLU-  25  22.83 +/- 2.89   0.260% *  0.0969% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2401 (8.80, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.428, support = 5.73, residual support = 123.6:
      O   HN    GLU-  25 - HB3   GLU-  25   2.65 +/- 0.69  86.525% * 82.2789% (0.41  10.0   5.86 127.38) =  96.962%  kept
          HN    ASN   28 - HB3   GLU-  25   5.86 +/- 0.16  12.712% * 17.5416% (0.98   1.0   1.79   3.81) =   3.037%  kept
          HN    ASP-  44 - HB3   GLU-  25  16.91 +/- 2.73   0.524% *  0.0897% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASN   69 - HB3   GLU-  25  23.37 +/- 2.85   0.239% *  0.0897% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2402 (8.14, 2.01, 28.95 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 5.22, residual support = 31.7:
          HN    THR   26 - HB3   GLU-  25   3.45 +/- 0.30  99.039% * 98.7372% (0.34   5.22  31.66) =  99.993%  kept
          HN    LEU   71 - HB3   GLU-  25  19.32 +/- 2.04   0.723% *  0.8469% (0.76   0.02   0.02) =   0.006%
          HN    GLU- 114 - HB3   GLU-  25  29.81 +/- 4.02   0.238% *  0.4159% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2403 (8.06, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.259, support = 2.93, residual support = 2.87:
          HN    SER   85 - HA    SER   82   3.66 +/- 0.12  77.811% * 86.4615% (0.26   2.96   2.90) =  98.912%  kept
          HN    LEU   80 - HA    SER   82   7.55 +/- 0.29   8.972% *  6.3652% (0.10   0.56   0.35) =   0.840%  kept
          HN    GLN   32 - HA    GLU-  25   9.73 +/- 0.52   4.261% *  2.2544% (1.00   0.02   0.02) =   0.141%  kept
          HN    SER   85 - HA    GLU-  25  17.87 +/- 5.56   1.270% *  1.8052% (0.80   0.02   0.02) =   0.034%
          HN    LEU   80 - HA    GLU-  25  15.09 +/- 5.48   3.096% *  0.6958% (0.31   0.02   0.02) =   0.032%
          HN    ALA   34 - HA    GLU-  25  12.61 +/- 0.68   1.974% *  0.9268% (0.41   0.02   0.02) =   0.027%
          HN    GLN   32 - HA    SER   82  21.56 +/- 5.86   0.661% *  0.7303% (0.32   0.02   0.02) =   0.007%
          HN    CYS   53 - HA    GLU-  25  25.44 +/- 4.48   0.801% *  0.3478% (0.15   0.02   0.02) =   0.004%
          HN    ALA   34 - HA    SER   82  22.44 +/- 5.39   0.564% *  0.3002% (0.13   0.02   0.02) =   0.002%
          HN    CYS   53 - HA    SER   82  20.89 +/- 3.17   0.589% *  0.1127% (0.05   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2404 (8.80, 4.18, 61.45 ppm):
    8 chemical-shift based assignments, quality = 0.476, support = 5.56, residual support = 113.3:
      O   HN    GLU-  25 - HA    GLU-  25   2.70 +/- 0.03  72.750% * 71.9251% (0.41  10.0   5.86 127.38) =  88.570%  kept
          HN    ASN   28 - HA    GLU-  25   3.91 +/- 0.12  24.294% * 27.7883% (0.98   1.0   3.24   3.81) =  11.427%  kept
          HN    ASN   28 - HA    SER   82  17.47 +/- 6.20   0.729% *  0.0556% (0.32   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - HA    GLU-  25  15.80 +/- 2.55   0.453% *  0.0784% (0.45   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HA    SER   82  16.48 +/- 6.75   1.002% *  0.0233% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    GLU-  25  22.34 +/- 2.81   0.169% *  0.0784% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    SER   82  15.43 +/- 2.28   0.507% *  0.0254% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    SER   82  26.25 +/- 3.08   0.095% *  0.0254% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2405 (7.59, 4.18, 61.45 ppm):
    14 chemical-shift based assignments, quality = 0.34, support = 3.93, residual support = 7.99:
          HN    ALA   84 - HA    SER   82   4.21 +/- 0.11  47.031% * 52.9472% (0.20   5.32  10.27) =  64.812%  kept
          HD21  ASN   28 - HA    GLU-  25   4.80 +/- 0.17  32.026% * 41.9809% (0.61   1.37   3.81) =  34.994%  kept
          HZ2   TRP   87 - HA    GLU-  25  14.37 +/- 5.81   6.340% *  0.4162% (0.41   0.02   0.02) =   0.069%
          HN    LEU   63 - HA    GLU-  25  20.67 +/- 3.85   1.081% *  1.0034% (0.99   0.02   0.02) =   0.028%
          HN    ALA   84 - HA    GLU-  25  16.49 +/- 5.36   1.544% *  0.6141% (0.61   0.02   0.02) =   0.025%
          HD21  ASN   28 - HA    SER   82  15.95 +/- 7.50   4.359% *  0.1989% (0.20   0.02   0.02) =   0.023%
          HN    ILE   56 - HA    GLU-  25  25.51 +/- 4.39   0.579% *  0.9577% (0.95   0.02   0.02) =   0.014%
          HE21  GLN   32 - HA    GLU-  25  12.26 +/- 1.62   2.255% *  0.2254% (0.22   0.02   0.02) =   0.013%
          HZ2   TRP   87 - HA    SER   82  10.61 +/- 0.61   3.016% *  0.1348% (0.13   0.02   0.02) =   0.011%
          HN    ILE   56 - HA    SER   82  22.97 +/- 3.26   0.410% *  0.3102% (0.31   0.02   0.02) =   0.003%
          HN    LYS+ 111 - HA    GLU-  25  27.52 +/- 3.32   0.205% *  0.6141% (0.61   0.02   0.02) =   0.003%
          HN    LEU   63 - HA    SER   82  22.69 +/- 1.57   0.314% *  0.3251% (0.32   0.02   0.02) =   0.003%
          HN    LYS+ 111 - HA    SER   82  22.65 +/- 3.13   0.390% *  0.1989% (0.20   0.02   0.02) =   0.002%
          HE21  GLN   32 - HA    SER   82  24.81 +/- 7.16   0.452% *  0.0730% (0.07   0.02   0.02) =   0.001%
    Distance limit 3.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2406 (2.92, 4.18, 61.45 ppm):
    16 chemical-shift based assignments, quality = 0.97, support = 1.11, residual support = 3.7:
          HB2   ASN   28 - HA    GLU-  25   3.55 +/- 0.36  70.399% * 79.6766% (0.99   1.12   3.81) =  97.300%  kept
          HB2   ASP-  86 - HA    SER   82   6.95 +/- 0.59  11.307% * 12.7024% (0.24   0.76   0.02) =   2.491%  kept
          QE    LYS+  33 - HA    GLU-  25  12.36 +/- 1.22   1.965% *  1.4263% (1.00   0.02   0.02) =   0.049%
          QE    LYS+  65 - HA    GLU-  25  19.09 +/- 4.60   2.118% *  1.3195% (0.92   0.02   0.02) =   0.048%
          HB2   ASP-  86 - HA    GLU-  25  16.14 +/- 6.23   2.245% *  1.0380% (0.73   0.02   0.02) =   0.040%
          HB2   ASP-  78 - HA    GLU-  25  18.02 +/- 3.81   1.007% *  0.8670% (0.61   0.02   0.02) =   0.015%
          HB2   ASN   28 - HA    SER   82  18.59 +/- 6.63   1.575% *  0.4590% (0.32   0.02   0.02) =   0.013%
          HB2   ASP-  78 - HA    SER   82  11.52 +/- 0.95   2.472% *  0.2809% (0.20   0.02   0.02) =   0.012%
          HB2   ASN   35 - HA    GLU-  25  16.19 +/- 1.68   0.885% *  0.5365% (0.38   0.02   0.02) =   0.008%
          HB2   ASP-  76 - HA    GLU-  25  15.69 +/- 3.72   1.677% *  0.2829% (0.20   0.02   0.02) =   0.008%
          QE    LYS+  33 - HA    SER   82  21.51 +/- 4.88   0.712% *  0.4620% (0.32   0.02   0.02) =   0.006%
          HB2   ASP-  76 - HA    SER   82  12.18 +/- 1.13   2.156% *  0.0916% (0.06   0.02   0.02) =   0.003%
          QE    LYS+  65 - HA    SER   82  21.70 +/- 3.90   0.439% *  0.4274% (0.30   0.02   0.02) =   0.003%
          HB2   ASN   35 - HA    SER   82  25.89 +/- 6.63   0.443% *  0.1738% (0.12   0.02   0.02) =   0.001%
          HB2   ASN   69 - HA    GLU-  25  23.37 +/- 3.16   0.386% *  0.1935% (0.14   0.02   0.02) =   0.001%
          HB2   ASN   69 - HA    SER   82  27.66 +/- 4.13   0.211% *  0.0627% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2407 (1.36, 4.18, 61.45 ppm):
    32 chemical-shift based assignments, quality = 0.322, support = 2.76, residual support = 10.1:
          QB    ALA   84 - HA    SER   82   4.42 +/- 0.14  42.718% * 79.0111% (0.32   2.79  10.27) =  98.755%  kept
          HG    LEU   98 - HA    GLU-  25  17.13 +/- 5.17   9.186% *  1.6679% (0.95   0.02   0.02) =   0.448%  kept
          HB3   LEU   80 - HA    SER   82   6.67 +/- 1.08  15.696% *  0.2780% (0.16   0.02   0.35) =   0.128%  kept
          QB    ALA   84 - HA    GLU-  25  14.84 +/- 3.70   1.878% *  1.7476% (0.99   0.02   0.02) =   0.096%
          HB2   LEU   31 - HA    GLU-  25   9.38 +/- 0.39   4.654% *  0.6015% (0.34   0.02   0.02) =   0.082%
          HB3   LEU   80 - HA    GLU-  25  15.42 +/- 6.00   2.941% *  0.8583% (0.49   0.02   0.02) =   0.074%
          HB3   LEU   73 - HA    GLU-  25  11.58 +/- 1.97   2.896% *  0.7249% (0.41   0.02   0.02) =   0.061%
          HG3   LYS+  65 - HA    GLU-  25  20.29 +/- 4.83   2.619% *  0.6015% (0.34   0.02   0.02) =   0.046%
          HB2   LEU   63 - HA    GLU-  25  20.27 +/- 3.80   1.271% *  1.0695% (0.61   0.02   0.02) =   0.040%
          HB3   ASP-  44 - HA    GLU-  25  17.75 +/- 2.57   0.813% *  1.2804% (0.73   0.02   0.02) =   0.030%
          HG3   LYS+  33 - HA    GLU-  25  12.51 +/- 1.11   2.072% *  0.4902% (0.28   0.02   0.02) =   0.030%
          HG3   LYS+ 102 - HA    GLU-  25  21.95 +/- 6.00   1.203% *  0.7905% (0.45   0.02   0.02) =   0.028%
          QB    ALA  124 - HA    GLU-  25  26.28 +/- 5.78   0.559% *  1.5295% (0.87   0.02   0.02) =   0.025%
          HB3   PRO   93 - HA    GLU-  25  22.61 +/- 3.05   0.418% *  1.7593% (1.00   0.02   0.02) =   0.022%
          HG3   LYS+ 106 - HA    GLU-  25  20.41 +/- 3.70   0.599% *  1.1406% (0.65   0.02   0.02) =   0.020%
          HG    LEU   98 - HA    SER   82  18.53 +/- 4.23   1.103% *  0.5403% (0.31   0.02   0.02) =   0.017%
          HB    VAL   42 - HA    GLU-  25  17.07 +/- 2.22   0.923% *  0.6015% (0.34   0.02   0.02) =   0.016%
          HB3   PRO   93 - HA    SER   82  17.57 +/- 2.40   0.888% *  0.5699% (0.32   0.02   0.02) =   0.015%
          HB3   ASP-  44 - HA    SER   82  16.30 +/- 2.20   1.137% *  0.4148% (0.24   0.02   0.02) =   0.014%
          HG3   LYS+ 106 - HA    SER   82  18.61 +/- 3.14   0.792% *  0.3695% (0.21   0.02   0.02) =   0.009%
          HB3   LEU   73 - HA    SER   82  17.25 +/- 2.79   1.058% *  0.2348% (0.13   0.02   0.02) =   0.007%
          HB2   LYS+ 112 - HA    GLU-  25  28.54 +/- 4.80   0.252% *  0.9277% (0.53   0.02   0.02) =   0.007%
          HB2   LEU   31 - HA    SER   82  20.13 +/- 6.07   0.976% *  0.1948% (0.11   0.02   0.02) =   0.006%
          HB    VAL   42 - HA    SER   82  19.83 +/- 3.14   0.703% *  0.1948% (0.11   0.02   0.02) =   0.004%
          HB2   LEU   63 - HA    SER   82  22.27 +/- 2.06   0.383% *  0.3464% (0.20   0.02   0.02) =   0.004%
          HG3   LYS+ 102 - HA    SER   82  23.70 +/- 4.60   0.417% *  0.2561% (0.15   0.02   0.02) =   0.003%
          HG2   LYS+ 111 - HA    GLU-  25  29.55 +/- 3.96   0.181% *  0.4902% (0.28   0.02   0.02) =   0.003%
          QB    ALA  124 - HA    SER   82  29.40 +/- 3.39   0.179% *  0.4955% (0.28   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - HA    SER   82  24.98 +/- 3.60   0.284% *  0.3005% (0.17   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HA    SER   82  23.02 +/- 5.40   0.523% *  0.1588% (0.09   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HA    SER   82  23.57 +/- 3.43   0.337% *  0.1948% (0.11   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HA    SER   82  24.55 +/- 4.04   0.342% *  0.1588% (0.09   0.02   0.02) =   0.002%
    Distance limit 3.63 A violated in 0 structures by 0.66 A, kept.
 
    Peak 2408 (1.04, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.589, support = 0.02, residual support = 0.02:
          HB2   LEU  104 - HA    GLU-  25  20.65 +/- 4.98  13.340% * 19.8967% (0.80   0.02   0.02) =  26.073%  kept
          QG2   VAL  108 - HA    GLU-  25  19.91 +/- 2.67   9.901% * 22.9376% (0.92   0.02   0.02) =  22.308%  kept
          QG2   VAL  108 - HA    SER   82  15.86 +/- 2.75  21.217% *  7.4304% (0.30   0.02   0.02) =  15.486%  kept
          QD1   ILE  119 - HA    GLU-  25  21.11 +/- 3.61   9.197% * 12.0948% (0.49   0.02   0.02) =  10.927%  kept
          HG    LEU   63 - HA    GLU-  25  21.08 +/- 4.64  12.708% *  5.5320% (0.22   0.02   0.02) =   6.906%  kept
          HG3   LYS+ 112 - HA    GLU-  25  28.61 +/- 4.48   3.771% * 15.0711% (0.61   0.02   0.02) =   5.583%  kept
          HB2   LEU  104 - HA    SER   82  22.95 +/- 3.28   8.476% *  6.4453% (0.26   0.02   0.02) =   5.367%  kept
          QD1   ILE  119 - HA    SER   82  21.33 +/- 2.07   8.769% *  3.9180% (0.16   0.02   0.02) =   3.375%  kept
          HG3   LYS+ 112 - HA    SER   82  24.70 +/- 4.64   5.780% *  4.8821% (0.20   0.02   0.02) =   2.772%  kept
          HG    LEU   63 - HA    SER   82  23.00 +/- 1.70   6.841% *  1.7920% (0.07   0.02   0.02) =   1.204%  kept
    Distance limit 4.01 A violated in 20 structures by 8.11 A, eliminated.
    Peak unassigned.
 
    Peak 2409 (2.22, 4.15, 66.74 ppm):
    9 chemical-shift based assignments, quality = 0.278, support = 3.02, residual support = 20.7:
          HB2   GLU-  25 - HA    THR   26   4.27 +/- 0.39  25.414% * 78.8055% (0.31   4.07  31.66) =  64.579%  kept
          HB2   GLU-  29 - HA    THR   26   2.83 +/- 0.59  71.212% * 15.3845% (0.22   1.10   0.85) =  35.326%  kept
          HG2   GLU- 100 - HA    THR   26  18.96 +/- 4.98   0.690% *  1.1863% (0.95   0.02   0.02) =   0.026%
          HB3   ASP-  76 - HA    THR   26  16.15 +/- 2.86   0.605% *  1.1247% (0.90   0.02   0.02) =   0.022%
          QG    GLN   17 - HA    THR   26  14.01 +/- 2.35   0.901% *  0.5155% (0.41   0.02   0.02) =   0.015%
          HB2   MET   96 - HA    THR   26  17.72 +/- 2.56   0.413% *  1.1247% (0.90   0.02   0.02) =   0.015%
          HB    VAL   70 - HA    THR   26  17.64 +/- 1.61   0.387% *  0.6104% (0.49   0.02   0.02) =   0.008%
          HB2   ASP- 105 - HA    THR   26  22.81 +/- 3.74   0.245% *  0.8614% (0.69   0.02   0.02) =   0.007%
          HG3   MET   92 - HA    THR   26  25.09 +/- 3.34   0.133% *  0.3871% (0.31   0.02   0.02) =   0.002%
    Distance limit 3.26 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2410 (8.14, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.89, residual support = 34.7:
      O   HN    THR   26 - HA    THR   26   2.88 +/- 0.02  98.972% * 99.6670% (0.34  10.0   4.89  34.72) =  99.998%  kept
          HN    LEU   71 - HA    THR   26  15.81 +/- 2.35   0.912% *  0.2233% (0.76   1.0   0.02   0.02) =   0.002%
          HN    GLU- 114 - HA    THR   26  29.06 +/- 3.62   0.116% *  0.1097% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2411 (8.32, 4.15, 66.74 ppm):
    6 chemical-shift based assignments, quality = 0.558, support = 1.3, residual support = 3.79:
          HN    GLN   30 - HA    THR   26   4.23 +/- 0.41  29.966% * 80.6475% (0.69   1.50   4.94) =  72.042%  kept
          HN    GLU-  29 - HA    THR   26   3.18 +/- 0.15  65.854% * 14.1515% (0.22   0.81   0.85) =  27.781%  kept
          HN    GLU-  14 - HA    THR   26  16.25 +/- 3.37   2.556% *  1.5361% (0.98   0.02   0.02) =   0.117%  kept
          HN    LYS+  99 - HA    THR   26  18.73 +/- 4.10   0.652% *  1.3090% (0.84   0.02   0.02) =   0.025%
          HE1   HIS  122 - HA    THR   26  22.78 +/- 5.20   0.521% *  1.4054% (0.90   0.02   0.02) =   0.022%
          HN    ASP-  86 - HA    THR   26  18.99 +/- 4.48   0.452% *  0.9505% (0.61   0.02   0.02) =   0.013%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2412 (7.36, 4.23, 69.37 ppm):
    6 chemical-shift based assignments, quality = 0.459, support = 1.93, residual support = 11.3:
          HN    THR   23 - HB    THR   26   3.98 +/- 0.22  68.758% * 68.3214% (0.38   2.19  13.07) =  86.292%  kept
          HD2   HIS   22 - HB    THR   26   6.47 +/- 1.58  27.432% * 27.0523% (0.99   0.33   0.02) =  13.632%  kept
          HD21  ASN   35 - HB    THR   26  15.71 +/- 1.06   1.230% *  1.1417% (0.69   0.02   0.02) =   0.026%
          HN    LEU   67 - HB    THR   26  18.00 +/- 2.50   1.084% *  1.2702% (0.76   0.02   0.02) =   0.025%
          HD1   TRP   49 - HB    THR   26  23.80 +/- 3.88   0.479% *  1.6474% (0.99   0.02   0.02) =   0.014%
          QE    PHE   95 - HB    THR   26  18.02 +/- 2.36   1.018% *  0.5670% (0.34   0.02   0.02) =   0.011%
    Distance limit 3.75 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2413 (7.74, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.45, residual support = 22.6:
          HN    TRP   27 - HB    THR   26   2.90 +/- 0.19  95.016% * 98.0834% (0.84   4.45  22.65) =  99.986%  kept
          HN    THR   39 - HB    THR   26  16.08 +/- 2.09   0.804% *  0.4732% (0.90   0.02   0.02) =   0.004%
          HD1   TRP   87 - HB    THR   26  16.72 +/- 3.46   0.753% *  0.4577% (0.87   0.02   0.02) =   0.004%
          HN    GLU-  36 - HB    THR   26  15.02 +/- 1.02   0.773% *  0.2568% (0.49   0.02   0.02) =   0.002%
          HE3   TRP   87 - HB    THR   26  17.50 +/- 4.16   1.263% *  0.0924% (0.18   0.02   0.02) =   0.001%
          HN    ALA   61 - HB    THR   26  17.91 +/- 2.60   0.509% *  0.2169% (0.41   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HB    THR   26  20.30 +/- 4.25   0.607% *  0.1628% (0.31   0.02   0.02) =   0.001%
          HN    ALA   91 - HB    THR   26  21.75 +/- 2.74   0.275% *  0.2568% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2414 (8.13, 4.23, 69.37 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.16, residual support = 34.7:
      O   HN    THR   26 - HB    THR   26   2.17 +/- 0.09  99.538% * 99.9615% (0.80  10.0   4.16  34.72) = 100.000%  kept
          HN    LEU   71 - HB    THR   26  15.34 +/- 2.38   0.462% *  0.0385% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2415 (4.62, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.521, support = 0.589, residual support = 1.32:
          HA    ALA   20 - QG2   THR   26   6.00 +/- 0.95  23.858% * 72.2281% (0.87   0.43   0.11) =  49.955%  kept
          HA    CYS   21 - QG2   THR   26   3.52 +/- 1.26  67.610% * 25.4378% (0.18   0.75   2.53) =  49.857%  kept
          HA    LEU   71 - QG2   THR   26  10.48 +/- 2.15   7.339% *  0.5976% (0.15   0.02   0.02) =   0.127%  kept
          HA    LYS+ 102 - QG2   THR   26  16.91 +/- 3.63   1.192% *  1.7365% (0.45   0.02   0.02) =   0.060%
    Distance limit 3.51 A violated in 1 structures by 0.37 A, kept.
 
    Peak 2416 (2.07, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 0.83, support = 0.02, residual support = 0.02:
          HB2   GLU-  14 - QG2   THR   26  11.50 +/- 3.11  32.230% * 18.7520% (0.92   0.02   0.02) =  43.103%  kept
          HG2   MET   11 - QG2   THR   26  16.06 +/- 4.16  15.916% * 19.2160% (0.95   0.02   0.02) =  21.812%  kept
          HG2   PRO   58 - QG2   THR   26  19.36 +/- 2.62   8.619% * 17.6208% (0.87   0.02   0.02) =  10.831%  kept
          HB2   PRO   93 - QG2   THR   26  18.59 +/- 2.45  10.382% * 12.3210% (0.61   0.02   0.02) =   9.123%  kept
          HG3   PRO   52 - QG2   THR   26  22.76 +/- 3.50   5.172% * 17.6208% (0.87   0.02   0.02) =   6.500%  kept
          HB2   PRO   68 - QG2   THR   26  17.23 +/- 2.68  14.029% *  3.1343% (0.15   0.02   0.02) =   3.136%  kept
          HB2   ARG+  54 - QG2   THR   26  21.52 +/- 3.65   6.561% *  6.2698% (0.31   0.02   0.02) =   2.934%  kept
          HB    VAL  108 - QG2   THR   26  20.77 +/- 2.24   7.092% *  5.0653% (0.25   0.02   0.02) =   2.562%  kept
    Distance limit 3.50 A violated in 19 structures by 6.62 A, eliminated.
    Peak unassigned.
 
    Peak 2417 (2.73, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 0.748, residual support = 4.92:
        T HG2   GLN   30 - QG2   THR   26   2.91 +/- 0.73  88.191% * 96.7932% (0.99 10.00   0.75   4.94) =  99.688%  kept
          HB3   ASN   28 - QG2   THR   26   7.04 +/- 0.17   8.847% *  2.9765% (0.97  1.00   0.24   0.47) =   0.308%  kept
          QE    LYS+ 121 - QG2   THR   26  17.76 +/- 4.53   2.003% *  0.1580% (0.61  1.00   0.02   0.02) =   0.004%
          HB3   HIS  122 - QG2   THR   26  18.79 +/- 4.28   0.959% *  0.0724% (0.28  1.00   0.02   0.02) =   0.001%
    Distance limit 3.49 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2419 (0.58, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.94, support = 3.62, residual support = 18.2:
          QD1   LEU   73 - HB3   TRP   27   3.17 +/- 2.35  43.505% * 55.8873% (1.00   3.87  23.90) =  69.264%  kept
          QD2   LEU   80 - HB3   TRP   27   9.49 +/- 6.52  27.492% * 36.9497% (0.80   3.20   5.84) =  28.938%  kept
          QD1   LEU   63 - HB3   TRP   27  11.74 +/- 3.49  11.228% *  4.7727% (1.00   0.33   0.02) =   1.527%  kept
          QG1   VAL   83 - HB3   TRP   27   9.77 +/- 4.92   3.972% *  1.8226% (0.18   0.72   0.37) =   0.206%  kept
          QD2   LEU   63 - HB3   TRP   27  12.21 +/- 3.65  13.042% *  0.1634% (0.57   0.02   0.02) =   0.061%
          QD1   LEU  104 - HB3   TRP   27  13.34 +/- 3.51   0.600% *  0.1634% (0.57   0.02   0.02) =   0.003%
          QD2   LEU  115 - HB3   TRP   27  16.31 +/- 3.04   0.160% *  0.2410% (0.84   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2420 (3.78, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.0, residual support = 26.7:
        T HA    VAL   24 - HB3   TRP   27   3.47 +/- 0.41  92.072% * 98.5200% (0.76 10.00   3.00  26.67) =  99.961%  kept
        T HA    LYS+  38 - HB3   TRP   27  14.10 +/- 2.27   2.414% *  1.2636% (0.98 10.00   0.02   0.02) =   0.034%
        T HA    GLU- 100 - HB3   TRP   27  15.86 +/- 3.96   2.136% *  0.1989% (0.15 10.00   0.02   0.02) =   0.005%
          HA    VAL   83 - HB3   TRP   27  13.75 +/- 5.24   3.379% *  0.0174% (0.14  1.00   0.02   0.37) =   0.001%
    Distance limit 3.58 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2421 (3.77, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.0, residual support = 26.7:
          HA    VAL   24 - HB2   TRP   27   2.05 +/- 0.24  98.362% * 99.1878% (0.97   3.00  26.67) =  99.996%  kept
          HA    LYS+  38 - HB2   TRP   27  15.17 +/- 2.19   0.412% *  0.5487% (0.80   0.02   0.02) =   0.002%
          HA    ALA   61 - HB2   TRP   27  13.93 +/- 2.66   0.941% *  0.0927% (0.14   0.02   0.02) =   0.001%
          HD2   PRO   68 - HB2   TRP   27  18.09 +/- 2.42   0.285% *  0.1709% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2422 (0.59, 3.56, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.927, support = 3.5, residual support = 15.6:
          QD1   LEU   73 - HB2   TRP   27   4.22 +/- 2.32  35.456% * 48.5826% (0.90   3.92  23.90) =  54.905%  kept
          QD2   LEU   80 - HB2   TRP   27   9.47 +/- 6.71  31.514% * 42.4645% (0.98   3.14   5.84) =  42.655%  kept
          QD1   LEU   63 - HB2   TRP   27  12.83 +/- 3.81  11.421% *  4.0975% (0.90   0.33   0.02) =   1.492%  kept
          QG1   VAL   83 - HB2   TRP   27   9.66 +/- 5.20   6.535% *  4.2657% (0.38   0.82   0.37) =   0.889%  kept
          QD2   LEU   63 - HB2   TRP   27  13.32 +/- 3.87  11.230% *  0.0853% (0.31   0.02   0.02) =   0.031%
          QD1   LEU  104 - HB2   TRP   27  14.09 +/- 3.79   3.478% *  0.2307% (0.84   0.02   0.02) =   0.026%
          QD2   LEU  115 - HB2   TRP   27  17.13 +/- 3.30   0.366% *  0.2738% (0.99   0.02   0.02) =   0.003%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2423 (0.01, 4.13, 56.27 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 3.13, residual support = 19.5:
          QD1   LEU   31 - HA    ASN   28   3.10 +/- 0.76 100.000% *100.0000% (0.76   3.13  19.47) = 100.000%  kept
    Distance limit 3.75 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2424 (4.03, 2.16, 36.74 ppm):
    8 chemical-shift based assignments, quality = 0.222, support = 5.25, residual support = 92.6:
      O T HA    GLU-  29 - HG3   GLU-  29   3.48 +/- 0.19  89.585% * 97.0747% (0.22  10.0 10.00   5.25  92.64) =  99.907%  kept
        T HA    LYS+  33 - HG3   GLU-  29   9.92 +/- 1.17   4.604% *  1.4873% (0.34   1.0 10.00   0.02   0.02) =   0.079%
          HB2   SER   37 - HG3   GLU-  29  15.34 +/- 1.89   1.245% *  0.4208% (0.97   1.0  1.00   0.02   0.02) =   0.006%
          HA1   GLY   16 - HG3   GLU-  29  17.89 +/- 2.69   0.863% *  0.2995% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL   70 - HG3   GLU-  29  18.82 +/- 1.91   0.663% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   18 - HG3   GLU-  29  14.95 +/- 2.08   1.468% *  0.0863% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HG3   GLU-  29  19.94 +/- 6.72   1.311% *  0.0673% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HG3   GLU-  29  28.51 +/- 3.83   0.260% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2425 (7.19, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.65, residual support = 100.6:
      O   HD1   TRP   27 - HB2   TRP   27   2.72 +/- 0.10  86.524% * 99.7286% (0.98  10.0   3.65 100.64) =  99.985%  kept
          HE21  GLN   30 - HB2   TRP   27   7.52 +/- 2.08  12.655% *  0.0939% (0.92   1.0   0.02   0.02) =   0.014%
          QD    PHE   59 - HB2   TRP   27  17.04 +/- 3.15   0.661% *  0.0997% (0.98   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HB2   TRP   27  23.39 +/- 2.96   0.160% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2426 (7.74, 3.56, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.36, residual support = 100.6:
      O   HN    TRP   27 - HB2   TRP   27   2.05 +/- 0.08  95.789% * 99.5184% (0.76  10.0   5.36 100.64) =  99.998%  kept
          HD1   TRP   87 - HB2   TRP   27  13.34 +/- 4.08   0.650% *  0.1202% (0.92   1.0   0.02   5.63) =   0.001%
          HN    THR   39 - HB2   TRP   27  14.53 +/- 1.72   0.329% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   TRP   27  17.67 +/- 4.09   0.739% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   TRP   27  14.04 +/- 4.25   1.619% *  0.0176% (0.14   1.0   0.02   5.63) =   0.000%
          HN    GLU-  36 - HB2   TRP   27  14.30 +/- 0.74   0.294% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   27  15.57 +/- 2.85   0.416% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   TRP   27  18.30 +/- 2.55   0.163% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2427 (8.81, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.907, support = 5.23, residual support = 46.3:
          HN    ASN   28 - HB2   TRP   27   3.19 +/- 0.21  74.308% * 93.2202% (0.92   5.29  47.30) =  97.962%  kept
          HN    GLU-  25 - HB2   TRP   27   4.79 +/- 0.28  22.438% *  6.4073% (0.15   2.18   0.63) =   2.033%  kept
          HN    ASP-  44 - HB2   TRP   27  10.92 +/- 2.40   2.744% *  0.0669% (0.18   0.02   0.02) =   0.003%
          HN    ASN   69 - HB2   TRP   27  17.83 +/- 1.88   0.510% *  0.3057% (0.80   0.02   0.02) =   0.002%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2428 (7.33, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.771, support = 4.43, residual support = 97.6:
      O   HE3   TRP   27 - HB3   TRP   27   2.60 +/- 0.21  79.243% * 86.3880% (0.76  10.0   4.50 100.64) =  96.987%  kept
          HN    THR   23 - HB3   TRP   27   4.81 +/- 0.66  16.015% * 13.2642% (0.98   1.0   2.39   1.33) =   3.010%  kept
          QE    PHE   95 - HB3   TRP   27  14.13 +/- 1.95   0.649% *  0.1120% (0.99   1.0   0.02   0.02) =   0.001%
          HD2   HIS   22 - HB3   TRP   27   8.43 +/- 1.11   2.815% *  0.0252% (0.22   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - HB3   TRP   27  14.92 +/- 2.61   0.817% *  0.0776% (0.69   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - HB3   TRP   27  20.99 +/- 3.17   0.260% *  0.0944% (0.84   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   TRP   27  20.82 +/- 2.89   0.201% *  0.0386% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2429 (7.19, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.08, residual support = 100.6:
      O   HD1   TRP   27 - HB3   TRP   27   3.80 +/- 0.11  66.763% * 99.7286% (0.98  10.0   4.08 100.64) =  99.953%  kept
          HE21  GLN   30 - HB3   TRP   27   6.48 +/- 1.97  31.538% *  0.0939% (0.92   1.0   0.02   0.02) =   0.044%
          QD    PHE   59 - HB3   TRP   27  16.11 +/- 2.71   1.354% *  0.0997% (0.98   1.0   0.02   0.02) =   0.002%
          HH2   TRP   49 - HB3   TRP   27  22.86 +/- 2.84   0.346% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2430 (7.74, 2.99, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.64, residual support = 100.6:
      O   HN    TRP   27 - HB3   TRP   27   3.11 +/- 0.19  87.240% * 99.5184% (0.76  10.0   5.64 100.64) =  99.991%  kept
          HD1   TRP   87 - HB3   TRP   27  13.21 +/- 3.76   1.865% *  0.1202% (0.92   1.0   0.02   5.63) =   0.003%
          HN    THR   39 - HB3   TRP   27  13.33 +/- 1.90   1.536% *  0.1232% (0.95   1.0   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HB3   TRP   27  17.09 +/- 3.76   1.866% *  0.0489% (0.38   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB3   TRP   27  13.46 +/- 1.08   1.220% *  0.0737% (0.57   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB3   TRP   27  13.84 +/- 3.87   4.295% *  0.0176% (0.14   1.0   0.02   5.63) =   0.001%
          HN    ALA   61 - HB3   TRP   27  14.45 +/- 2.49   1.462% *  0.0444% (0.34   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - HB3   TRP   27  17.94 +/- 2.34   0.516% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2431 (8.82, 2.99, 30.32 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 5.76, residual support = 47.3:
          HN    ASN   28 - HB3   TRP   27   4.19 +/- 0.09  98.150% * 99.4708% (0.65   5.76  47.30) =  99.990%  kept
          HN    ASN   69 - HB3   TRP   27  16.43 +/- 1.64   1.850% *  0.5292% (0.99   0.02   0.02) =   0.010%
    Distance limit 3.81 A violated in 0 structures by 0.37 A, kept.
 
    Peak 2432 (7.88, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.222, support = 4.33, residual support = 19.4:
          HN    LEU   31 - HA    ASN   28   3.47 +/- 0.16  93.191% * 95.9425% (0.22   4.33  19.47) =  99.920%  kept
          HN    LYS+  38 - HA    ASN   28  12.69 +/- 1.30   2.097% *  1.9497% (0.98   0.02   0.02) =   0.046%
          HN    ARG+  54 - HA    ASN   28  24.60 +/- 4.67   1.377% *  1.2064% (0.61   0.02   0.02) =   0.019%
          HN    ASP-  62 - HA    ASN   28  18.93 +/- 3.82   1.332% *  0.5530% (0.28   0.02   0.02) =   0.008%
          HN    SER   37 - HA    ASN   28  12.55 +/- 0.62   2.002% *  0.3483% (0.18   0.02   0.02) =   0.008%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2433 (8.34, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 6.82, residual support = 19.4:
          HN    GLN   30 - HA    ASN   28   3.98 +/- 0.13  85.630% * 95.6234% (0.18   6.83  19.46) =  99.845%  kept
          HN    LYS+  99 - HA    ASN   28  14.95 +/- 4.61   4.816% *  1.4749% (0.92   0.02   0.02) =   0.087%
          HN    ASN   35 - HA    ASN   28   9.38 +/- 0.79   7.130% *  0.3557% (0.22   0.02   0.02) =   0.031%
          HE1   HIS  122 - HA    ASN   28  21.18 +/- 5.56   1.175% *  1.3859% (0.87   0.02   0.02) =   0.020%
          HN    GLU-  14 - HA    ASN   28  18.74 +/- 3.02   1.249% *  1.1602% (0.73   0.02   0.02) =   0.018%
    Distance limit 4.03 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2434 (8.82, 2.93, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 6.3, residual support = 94.6:
      O   HN    ASN   28 - HB2   ASN   28   2.44 +/- 0.10  98.477% * 99.7686% (0.65  10.0   6.30  94.63) =  99.999%  kept
          HN    ASN   69 - HB2   ASN   28  20.79 +/- 2.52   0.214% *  0.1529% (0.99   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASN   35  13.13 +/- 1.55   0.825% *  0.0310% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   35  17.47 +/- 2.78   0.484% *  0.0476% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2435 (6.96, 2.73, 38.30 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.55, residual support = 94.6:
      O   HD22  ASN   28 - HB3   ASN   28   3.36 +/- 0.13  97.772% * 99.9746% (0.98  10.0   3.55  94.63) =  99.999%  kept
          QE    PHE   72 - HB3   ASN   28  14.49 +/- 2.21   2.228% *  0.0254% (0.25   1.0   0.02   0.02) =   0.001%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2436 (7.62, 2.73, 38.30 ppm):
    5 chemical-shift based assignments, quality = 0.868, support = 3.51, residual support = 94.5:
      O   HD21  ASN   28 - HB3   ASN   28   3.98 +/- 0.25  86.705% * 98.4443% (0.87  10.0   3.51  94.63) =  99.892%  kept
          HZ2   TRP   87 - HB3   ASN   28  13.84 +/- 6.18   6.239% *  1.4296% (0.98   1.0   0.26   0.02) =   0.104%  kept
          QE    PHE   60 - HB3   ASN   28  16.20 +/- 2.37   2.474% *  0.0780% (0.69   1.0   0.02   0.02) =   0.002%
          HN    ILE   56 - HB3   ASN   28  25.77 +/- 4.96   3.390% *  0.0199% (0.18   1.0   0.02   0.02) =   0.001%
          HN    LEU   63 - HB3   ASN   28  20.38 +/- 3.77   1.193% *  0.0283% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.46 A, kept.
 
    Peak 2437 (8.31, 2.73, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.602, support = 5.46, residual support = 28.3:
          HN    GLU-  29 - HB3   ASN   28   3.31 +/- 0.14  75.066% * 36.7580% (0.45   5.79  32.53) =  67.663%  kept
          HN    GLN   30 - HB3   ASN   28   5.07 +/- 0.07  21.112% * 62.4259% (0.92   4.78  19.46) =  32.318%  kept
          HN    ASP-  86 - HB3   ASN   28  17.47 +/- 6.21   1.197% *  0.2457% (0.87   0.02   0.02) =   0.007%
          HN    LYS+  99 - HB3   ASN   28  16.52 +/- 4.95   1.605% *  0.1604% (0.57   0.02   0.02) =   0.006%
          HN    GLU-  14 - HB3   ASN   28  19.77 +/- 3.24   0.536% *  0.2268% (0.80   0.02   0.02) =   0.003%
          HE1   HIS  122 - HB3   ASN   28  23.30 +/- 5.76   0.484% *  0.1832% (0.65   0.02   0.02) =   0.002%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2438 (8.81, 2.73, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.02, residual support = 94.6:
      O   HN    ASN   28 - HB3   ASN   28   3.55 +/- 0.01  86.979% * 99.8777% (0.92  10.0   6.02  94.63) =  99.997%  kept
          HN    GLU-  25 - HB3   ASN   28   7.14 +/- 0.37  10.944% *  0.0167% (0.15   1.0   0.02   3.81) =   0.002%
          HN    ASN   69 - HB3   ASN   28  20.79 +/- 2.76   0.612% *  0.0866% (0.80   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - HB3   ASN   28  15.21 +/- 2.44   1.465% *  0.0189% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2439 (8.33, 2.93, 38.30 ppm):
    10 chemical-shift based assignments, quality = 0.374, support = 4.56, residual support = 19.4:
          HN    GLN   30 - HB2   ASN   28   4.53 +/- 0.09  64.059% * 95.1440% (0.38   4.57  19.46) =  99.754%  kept
          HN    GLU-  14 - HB2   ASN   35  16.86 +/- 5.03  14.235% *  0.3264% (0.29   0.02   0.02) =   0.076%
          HN    LYS+  99 - HB2   ASN   28  17.13 +/- 4.78   3.742% *  1.1067% (1.00   0.02   0.02) =   0.068%
          HN    GLU-  14 - HB2   ASN   28  19.13 +/- 3.21   1.583% *  1.0492% (0.95   0.02   0.02) =   0.027%
          HE1   HIS  122 - HB2   ASN   28  23.17 +/- 5.58   1.121% *  1.1067% (1.00   0.02   0.02) =   0.020%
          HN    LYS+  99 - HB2   ASN   35  15.65 +/- 6.49   3.506% *  0.3443% (0.31   0.02   0.02) =   0.020%
          HN    GLN   30 - HB2   ASN   35  10.48 +/- 1.23   6.391% *  0.1295% (0.12   0.02   0.02) =   0.014%
          HN    ASP-  86 - HB2   ASN   28  17.47 +/- 5.75   2.230% *  0.3423% (0.31   0.02   0.02) =   0.012%
          HE1   HIS  122 - HB2   ASN   35  22.89 +/- 6.49   0.852% *  0.3443% (0.31   0.02   0.02) =   0.005%
          HN    ASP-  86 - HB2   ASN   35  23.59 +/- 6.25   2.282% *  0.1065% (0.10   0.02   0.02) =   0.004%
    Distance limit 3.26 A violated in 0 structures by 1.27 A, kept.
 
    Peak 2440 (7.62, 2.93, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.606, support = 3.87, residual support = 94.5:
      O   HD21  ASN   28 - HB2   ASN   28   3.93 +/- 0.11  84.807% * 98.0697% (0.61  10.0   3.87  94.63) =  99.894%  kept
          HZ2   TRP   87 - HB2   ASN   28  13.88 +/- 5.77   4.949% *  1.6638% (0.80   1.0   0.26   0.02) =   0.099%
          QE    PHE   60 - HB2   ASN   28  16.01 +/- 2.29   1.927% *  0.1493% (0.92   1.0   0.02   0.02) =   0.003%
          QE    PHE   60 - HB2   ASN   35  17.11 +/- 3.39   3.159% *  0.0464% (0.29   1.0   0.02   0.02) =   0.002%
          HZ2   TRP   87 - HB2   ASN   35  18.61 +/- 6.56   2.675% *  0.0403% (0.25   1.0   0.02   0.02) =   0.001%
          HD21  ASN   28 - HB2   ASN   35  14.19 +/- 2.03   2.484% *  0.0305% (0.19   1.0   0.02   0.02) =   0.001%
    Distance limit 3.74 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2441 (8.33, 4.00, 59.66 ppm):
    15 chemical-shift based assignments, quality = 0.485, support = 6.5, residual support = 26.7:
      O   HN    GLN   30 - HA    GLU-  29   3.51 +/- 0.01  71.078% * 98.3493% (0.49  10.0   6.51  26.75) =  99.898%  kept
          HN    GLN   30 - HA    GLN   32   6.80 +/- 0.26   9.911% *  0.6070% (0.11   1.0   0.55   1.77) =   0.086%
          HN    LYS+  99 - HA    GLU-  29  17.19 +/- 4.52   1.116% *  0.1950% (0.96   1.0   0.02   0.02) =   0.003%
          HN    GLU-  14 - HA    GLU-  29  16.69 +/- 3.36   1.077% *  0.2003% (0.99   1.0   0.02   0.02) =   0.003%
          HN    GLN   30 - HA    LYS+  33   7.65 +/- 0.57   7.211% *  0.0270% (0.13   1.0   0.02   0.31) =   0.003%
          HN    GLU-  14 - HA    LYS+  33  13.59 +/- 4.01   2.128% *  0.0549% (0.27   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HA    GLN   32  15.19 +/- 5.57   1.953% *  0.0437% (0.22   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    GLU-  29  23.49 +/- 5.31   0.380% *  0.2003% (0.99   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HA    GLN   32  16.94 +/- 4.03   1.547% *  0.0449% (0.22   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    LYS+  33  16.77 +/- 4.84   0.978% *  0.0535% (0.26   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLU-  29  20.01 +/- 5.06   0.598% *  0.0831% (0.41   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    LYS+  33  22.68 +/- 5.27   0.381% *  0.0549% (0.27   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  22.78 +/- 5.87   0.413% *  0.0449% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  23.01 +/- 5.26   0.672% *  0.0228% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  21.22 +/- 5.65   0.557% *  0.0186% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2442 (8.31, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.523, support = 5.72, residual support = 77.4:
      O   HN    GLU-  29 - HB2   GLU-  29   2.38 +/- 0.26  69.704% * 57.8519% (0.41  10.0   5.45  92.64) =  76.868%  kept
          HN    GLN   30 - HB2   GLU-  29   3.23 +/- 0.22  29.076% * 41.7310% (0.90   1.0   6.61  26.75) =  23.130%  kept
          HN    GLU-  14 - HB2   GLU-  29  15.63 +/- 3.26   0.634% *  0.1175% (0.84   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   GLU-  29  23.34 +/- 5.00   0.203% *  0.0967% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  29  18.33 +/- 4.03   0.227% *  0.0854% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLU-  29  19.93 +/- 4.56   0.156% *  0.1175% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2443 (8.31, 2.15, 30.32 ppm):
    12 chemical-shift based assignments, quality = 0.55, support = 5.01, residual support = 73.8:
      O   HN    GLU-  29 - HB3   GLU-  29   3.45 +/- 0.30  51.436% * 63.2253% (0.41  10.0   4.92  92.64) =  71.456%  kept
          HN    GLN   30 - HB3   GLU-  29   3.90 +/- 0.18  35.951% * 36.1154% (0.90   1.0   5.24  26.75) =  28.529%  kept
          HN    GLU-  14 - HB3   GLU-  29  15.13 +/- 3.34   1.426% *  0.1285% (0.84   1.0   0.02   0.02) =   0.004%
          HN    GLU-  14 - QB    GLU-  36  12.37 +/- 4.21   2.698% *  0.0398% (0.26   1.0   0.02   0.02) =   0.002%
          HN    GLN   30 - QB    GLU-  36   9.89 +/- 0.94   2.440% *  0.0427% (0.28   1.0   0.02   0.02) =   0.002%
          HN    ASP-  86 - QB    GLU-  36  22.42 +/- 5.64   2.121% *  0.0398% (0.26   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HB3   GLU-  29  18.51 +/- 3.99   0.521% *  0.0933% (0.61   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB3   GLU-  29  21.04 +/- 4.53   0.324% *  0.1285% (0.84   1.0   0.02   0.02) =   0.001%
          HN    GLU-  29 - QB    GLU-  36  11.39 +/- 1.09   1.599% *  0.0196% (0.13   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB3   GLU-  29  23.78 +/- 5.25   0.220% *  0.1056% (0.69   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - QB    GLU-  36  15.95 +/- 4.76   0.804% *  0.0289% (0.19   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - QB    GLU-  36  20.79 +/- 5.19   0.460% *  0.0327% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2444 (2.44, 2.15, 30.32 ppm):
    16 chemical-shift based assignments, quality = 0.935, support = 4.39, residual support = 92.3:
      O T HG2   GLU-  29 - HB3   GLU-  29   2.76 +/- 0.22  39.067% * 95.1378% (0.99  10.0 10.00   4.40  92.64) =  94.088%  kept
      O T HG2   GLU-  36 - QB    GLU-  36   2.39 +/- 0.13  57.947% *  4.0244% (0.04  10.0 10.00   4.28  86.24) =   5.903%  kept
        T HG2   GLU-  29 - QB    GLU-  36  11.09 +/- 1.63   0.693% *  0.2947% (0.31   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   GLU-  36 - HB3   GLU-  29  11.70 +/- 2.21   0.700% *  0.1299% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HB3   GLU-  29  19.81 +/- 4.90   0.158% *  0.0951% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB3   GLU-  29  21.48 +/- 3.13   0.178% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    GLU-  36  21.39 +/- 5.38   0.296% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   GLU-  29  23.37 +/- 3.11   0.083% *  0.0659% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLU-  36  21.77 +/- 2.98   0.216% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB3   GLU-  29  19.95 +/- 2.99   0.129% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB3   GLU-  29  27.07 +/- 4.65   0.060% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    GLU-  36  21.54 +/- 2.14   0.093% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    GLU-  36  19.21 +/- 3.17   0.168% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  29  24.27 +/- 2.53   0.067% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLU-  36  25.20 +/- 3.57   0.064% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLU-  36  22.69 +/- 2.16   0.082% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2445 (1.62, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.944, support = 0.305, residual support = 0.304:
          QD    LYS+  33 - HA    GLN   30   3.60 +/- 0.65  86.879% * 82.4795% (0.95   0.31   0.31) =  99.532%  kept
          HD2   LYS+  74 - HA    GLN   30  13.63 +/- 2.84   9.484% *  2.1381% (0.38   0.02   0.02) =   0.282%  kept
          QB    ALA   57 - HA    GLN   30  18.84 +/- 3.13   2.460% *  3.9133% (0.69   0.02   0.02) =   0.134%  kept
          HB3   LEU  123 - HA    GLN   30  26.89 +/- 4.52   0.307% *  5.3890% (0.95   0.02   0.02) =   0.023%
          HG3   ARG+  54 - HA    GLN   30  27.59 +/- 4.81   0.657% *  1.9433% (0.34   0.02   0.02) =   0.018%
          HD3   LYS+ 111 - HA    GLN   30  30.72 +/- 3.15   0.212% *  4.1368% (0.73   0.02   0.02) =   0.012%
    Distance limit 3.83 A violated in 0 structures by 0.14 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2446 (0.83, 3.84, 58.37 ppm):
    5 chemical-shift based assignments, quality = 0.428, support = 0.02, residual support = 0.02:
          QD1   LEU   71 - HA    GLN   30   9.76 +/- 3.11  58.533% *  8.2693% (0.15   0.02   0.02) =  34.798%  kept
          QD2   LEU  123 - HA    GLN   30  22.13 +/- 3.51   8.025% * 48.0646% (0.90   0.02   0.02) =  27.730%  kept
          HB3   LEU  104 - HA    GLN   30  18.74 +/- 4.09  14.838% * 22.0331% (0.41   0.02   0.02) =  23.504%  kept
          HG3   LYS+ 121 - HA    GLN   30  23.11 +/- 4.51   7.942% * 13.3638% (0.25   0.02   0.02) =   7.630%  kept
          QD1   LEU  123 - HA    GLN   30  20.37 +/- 3.40  10.663% *  8.2693% (0.15   0.02   0.02) =   6.339%  kept
    Distance limit 4.05 A violated in 19 structures by 5.24 A, eliminated.
    Peak unassigned.
 
    Peak 2447 (8.31, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.972, support = 6.37, residual support = 156.5:
      O   HN    GLN   30 - HA    GLN   30   2.81 +/- 0.03  83.632% * 88.3586% (0.98  10.0   6.41 159.23) =  97.928%  kept
          HN    GLU-  29 - HA    GLN   30   5.14 +/- 0.08  13.696% * 11.4064% (0.57   1.0   4.47  26.75) =   2.070%  kept
          HN    GLU-  14 - HA    GLN   30  13.21 +/- 3.14   1.386% *  0.0619% (0.69   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLN   30  19.93 +/- 4.09   0.318% *  0.0853% (0.95   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   30  16.17 +/- 3.78   0.638% *  0.0404% (0.45   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   30  20.49 +/- 4.69   0.329% *  0.0474% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2448 (8.31, 2.04, 28.09 ppm):
    6 chemical-shift based assignments, quality = 0.972, support = 6.32, residual support = 156.7:
      O   HN    GLN   30 - HB2   GLN   30   3.18 +/- 0.57  81.055% * 89.6792% (0.98  10.0   6.37 159.23) =  98.099%  kept
          HN    GLU-  29 - HB2   GLN   30   5.76 +/- 0.64  13.941% * 10.0822% (0.57   1.0   3.89  26.75) =   1.897%  kept
          HN    GLU-  14 - HB2   GLN   30  13.80 +/- 3.03   2.013% *  0.0628% (0.69   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HB2   GLN   30  14.90 +/- 3.71   1.522% *  0.0410% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB2   GLN   30  18.29 +/- 3.77   0.684% *  0.0865% (0.95   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   GLN   30  18.81 +/- 4.60   0.786% *  0.0481% (0.53   1.0   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2449 (8.32, 1.89, 28.09 ppm):
    6 chemical-shift based assignments, quality = 0.643, support = 6.91, residual support = 158.1:
      O   HN    GLN   30 - HB3   GLN   30   2.45 +/- 0.42  87.003% * 93.2018% (0.65  10.0   6.93 159.23) =  99.153%  kept
          HN    GLU-  29 - HB3   GLN   30   4.91 +/- 0.50  10.924% *  6.3159% (0.20   1.0   4.43  26.75) =   0.844%  kept
          HN    GLU-  14 - HB3   GLN   30  14.58 +/- 2.89   0.670% *  0.1428% (0.99   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB3   GLN   30  15.24 +/- 3.58   0.657% *  0.1250% (0.87   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB3   GLN   30  19.03 +/- 4.66   0.431% *  0.1330% (0.92   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB3   GLN   30  17.83 +/- 4.02   0.315% *  0.0816% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2450 (8.32, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.627, support = 7.27, residual support = 153.5:
          HN    GLN   30 - HG2   GLN   30   3.25 +/- 0.50  78.035% * 82.3599% (0.65   7.38 159.23) =  95.680%  kept
          HN    GLU-  29 - HG2   GLN   30   5.34 +/- 0.69  17.519% * 16.4851% (0.20   4.83  26.75) =   4.299%  kept
          HN    GLU-  14 - HG2   GLN   30  13.03 +/- 3.04   2.170% *  0.3420% (0.99   0.02   0.02) =   0.011%
          HE1   HIS  122 - HG2   GLN   30  19.62 +/- 4.83   0.749% *  0.3185% (0.92   0.02   0.02) =   0.004%
          HN    LYS+  99 - HG2   GLN   30  16.74 +/- 3.05   0.789% *  0.2993% (0.87   0.02   0.02) =   0.004%
          HN    ASP-  86 - HG2   GLN   30  19.19 +/- 4.00   0.738% *  0.1953% (0.57   0.02   0.02) =   0.002%
    Distance limit 3.45 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2451 (7.19, 2.73, 33.78 ppm):
    4 chemical-shift based assignments, quality = 0.868, support = 4.04, residual support = 158.3:
      O   HE21  GLN   30 - HG2   GLN   30   3.93 +/- 0.25  86.643% * 95.9353% (0.87  10.0   4.06 159.23) =  99.447%  kept
          HD1   TRP   27 - HG2   GLN   30   7.81 +/- 0.88  11.888% *  3.8784% (1.00   1.0   0.70   0.02) =   0.552%  kept
          QD    PHE   59 - HG2   GLN   30  18.29 +/- 2.66   1.056% *  0.1104% (1.00   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HG2   GLN   30  26.40 +/- 3.98   0.413% *  0.0760% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.30 A, kept.
 
    Peak 2452 (7.19, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 0.868, support = 3.19, residual support = 159.0:
      O   HE21  GLN   30 - HG3   GLN   30   3.85 +/- 0.23  61.774% * 98.5703% (0.87  10.0   3.19 159.23) =  99.838%  kept
          HD1   TRP   27 - HG3   GLN   30   7.79 +/- 0.70   8.370% *  1.1258% (1.00   1.0   0.20   0.02) =   0.154%  kept
          HH2   TRP   49 - HB2   LYS+ 111  13.86 +/- 5.10   6.479% *  0.0157% (0.14   1.0   0.02   0.02) =   0.002%
          QD    PHE   59 - HB2   LYS+ 111  10.07 +/- 1.34   4.242% *  0.0228% (0.20   1.0   0.02   0.02) =   0.002%
          QD    PHE   59 - HG3   GLN   30  17.90 +/- 2.39   0.765% *  0.1134% (1.00   1.0   0.02   0.02) =   0.001%
          QD    PHE   59 - HB2   PRO   93   8.78 +/- 2.66   8.417% *  0.0088% (0.08   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HB2   PRO   93  10.91 +/- 2.97   7.753% *  0.0061% (0.05   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HG3   GLN   30  25.96 +/- 3.73   0.271% *  0.0781% (0.69   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   PRO   93  18.54 +/- 2.83   0.810% *  0.0088% (0.08   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 111  25.33 +/- 3.25   0.283% *  0.0228% (0.20   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   PRO   93  20.56 +/- 2.93   0.618% *  0.0077% (0.07   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   LYS+ 111  26.76 +/- 2.51   0.218% *  0.0198% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2453 (8.32, 2.03, 33.78 ppm):
    18 chemical-shift based assignments, quality = 0.627, support = 6.49, residual support = 153.5:
          HN    GLN   30 - HG3   GLN   30   3.54 +/- 0.68  69.653% * 82.7419% (0.65   6.60 159.23) =  95.685%  kept
          HN    GLU-  29 - HG3   GLN   30   5.71 +/- 0.91  16.594% * 15.5085% (0.20   4.05  26.75) =   4.273%  kept
          HN    GLU-  14 - HG3   GLN   30  13.26 +/- 3.25   3.943% *  0.3839% (0.99   0.02   0.02) =   0.025%
          HN    LYS+  99 - HG3   GLN   30  16.49 +/- 3.03   1.134% *  0.3360% (0.87   0.02   0.02) =   0.006%
          HE1   HIS  122 - HG3   GLN   30  19.22 +/- 4.57   0.777% *  0.3575% (0.92   0.02   0.02) =   0.005%
          HN    ASP-  86 - HG3   GLN   30  18.85 +/- 3.88   0.786% *  0.2193% (0.57   0.02   0.02) =   0.003%
          HE1   HIS  122 - HB2   LYS+ 111  18.06 +/- 1.98   0.654% *  0.0719% (0.19   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB2   PRO   93  15.43 +/- 2.40   1.858% *  0.0171% (0.04   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   PRO   93  16.77 +/- 3.55   1.110% *  0.0279% (0.07   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   LYS+ 111  21.77 +/- 2.65   0.394% *  0.0675% (0.17   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   LYS+ 111  22.14 +/- 2.96   0.355% *  0.0441% (0.11   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   PRO   93  21.63 +/- 3.51   0.743% *  0.0195% (0.05   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   PRO   93  19.46 +/- 0.90   0.544% *  0.0262% (0.07   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   LYS+ 111  28.13 +/- 3.09   0.202% *  0.0504% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+ 111  33.85 +/- 3.82   0.104% *  0.0772% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   PRO   93  28.67 +/- 4.24   0.193% *  0.0299% (0.08   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   PRO   93  22.70 +/- 3.70   0.762% *  0.0060% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   LYS+ 111  29.32 +/- 3.52   0.196% *  0.0154% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2454 (0.81, 1.89, 28.09 ppm):
    5 chemical-shift based assignments, quality = 0.169, support = 5.32, residual support = 44.6:
          HG    LEU   31 - HB3   GLN   30   4.14 +/- 0.42  51.577% * 74.9855% (0.15  1.00   6.14  51.62) =  84.774%  kept
          QD2   LEU   73 - HB3   GLN   30   5.13 +/- 2.58  46.335% * 14.7993% (0.25  1.00   0.75   5.67) =  15.031%  kept
        T QD1   ILE   56 - HB3   GLN   30  18.09 +/- 2.69   0.978% *  7.7038% (0.49 10.00   0.02   0.02) =   0.165%  kept
          HG3   LYS+ 121 - HB3   GLN   30  21.73 +/- 4.54   0.526% *  1.5514% (0.98  1.00   0.02   0.02) =   0.018%
          QD2   LEU  123 - HB3   GLN   30  20.86 +/- 3.38   0.583% *  0.9600% (0.61  1.00   0.02   0.02) =   0.012%
    Distance limit 3.70 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2455 (0.59, 1.89, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.871, support = 2.54, residual support = 5.3:
          QD1   LEU   73 - HB3   GLN   30   4.37 +/- 2.79  52.207% * 76.0756% (0.87   2.69   5.67) =  93.547%  kept
          QD2   LEU   80 - HB3   GLN   30  12.04 +/- 5.70  12.901% * 12.9001% (0.99   0.40   0.02) =   3.920%  kept
          QD1   LEU   63 - HB3   GLN   30  12.68 +/- 2.96  10.779% *  9.3558% (0.87   0.33   0.02) =   2.375%  kept
          QD2   LEU   63 - HB3   GLN   30  12.92 +/- 3.26  14.355% *  0.1816% (0.28   0.02   0.02) =   0.061%
          QD1   LEU  104 - HB3   GLN   30  13.25 +/- 3.08   3.803% *  0.5666% (0.87   0.02   0.02) =   0.051%
          QG1   VAL   83 - HB3   GLN   30  11.91 +/- 4.37   5.092% *  0.2685% (0.41   0.02   0.02) =   0.032%
          QD2   LEU  115 - HB3   GLN   30  17.80 +/- 2.80   0.864% *  0.6517% (1.00   0.02   0.02) =   0.013%
    Distance limit 3.79 A violated in 2 structures by 0.44 A, kept.
 
    Peak 2456 (0.82, 2.04, 28.09 ppm):
    3 chemical-shift based assignments, quality = 0.756, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HB2   GLN   30  20.71 +/- 3.22  29.288% * 54.6388% (0.97   0.02   0.02) =  52.859%  kept
          HG3   LYS+ 121 - HB2   GLN   30  21.51 +/- 4.34  29.021% * 36.6255% (0.65   0.02   0.02) =  35.110%  kept
          QD1   ILE   56 - HB2   GLN   30  18.17 +/- 2.72  41.691% *  8.7356% (0.15   0.02   0.02) =  12.030%  kept
    Distance limit 3.54 A violated in 20 structures by 12.23 A, eliminated.
    Peak unassigned.
 
    Peak 2457 (0.59, 2.04, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.869, support = 2.63, residual support = 5.4:
          QD1   LEU   73 - HB2   GLN   30   4.66 +/- 2.85  50.564% * 80.4976% (0.87   2.74   5.67) =  95.261%  kept
          QD2   LEU   80 - HB2   GLN   30  12.39 +/- 5.41  11.884% * 10.3006% (0.99   0.31   0.02) =   2.865%  kept
          QD1   LEU   63 - HB2   GLN   30  12.63 +/- 2.64   9.474% *  7.4740% (0.87   0.25   0.02) =   1.657%  kept
          QD1   LEU  104 - HB2   GLN   30  12.89 +/- 3.33   7.189% *  0.5867% (0.87   0.02   0.02) =   0.099%
          QD2   LEU   63 - HB2   GLN   30  12.79 +/- 2.91  13.953% *  0.1881% (0.28   0.02   0.02) =   0.061%
          QG1   VAL   83 - HB2   GLN   30  12.29 +/- 4.05   5.715% *  0.2781% (0.41   0.02   0.02) =   0.037%
          QD2   LEU  115 - HB2   GLN   30  17.83 +/- 2.72   1.221% *  0.6749% (1.00   0.02   0.02) =   0.019%
    Distance limit 3.78 A violated in 5 structures by 0.86 A, kept.
 
    Peak 2458 (3.85, 2.03, 33.78 ppm):
    27 chemical-shift based assignments, quality = 0.647, support = 5.01, residual support = 159.2:
      O T HA    GLN   30 - HG3   GLN   30   3.15 +/- 0.46  53.992% * 98.6729% (0.65  10.0 10.00   5.01 159.23) =  99.955%  kept
          HB    THR   39 - HG3   GLN   30  10.90 +/- 3.53  12.613% *  0.1166% (0.76   1.0  1.00   0.02   0.02) =   0.028%
        T HD3   PRO   52 - HB2   PRO   93  11.21 +/- 3.24   2.868% *  0.0863% (0.06   1.0 10.00   0.02   0.02) =   0.005%
          HB3   SER   37 - HG3   GLN   30  11.11 +/- 2.28   1.808% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          QB    SER   13 - HG3   GLN   30  12.87 +/- 2.70   1.205% *  0.1221% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB3   SER   82 - HG3   GLN   30  18.51 +/- 5.01   0.604% *  0.1512% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE   89 - HB2   PRO   93   9.25 +/- 1.52   7.420% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - HB2   LYS+ 111  14.16 +/- 4.08   1.354% *  0.0223% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HG3   GLN   30  19.75 +/- 2.40   0.297% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - HB2   PRO   93   8.69 +/- 3.13   8.770% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   LYS+ 111  10.26 +/- 2.17   2.765% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   PRO   93  22.49 +/- 3.67   0.238% *  0.0769% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   LYS+ 111  28.74 +/- 2.95   0.082% *  0.1983% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   GLN   30  25.97 +/- 3.94   0.143% *  0.1108% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   LYS+ 111  15.57 +/- 2.62   0.607% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   GLN   30  21.46 +/- 2.87   0.251% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLN   30  22.10 +/- 3.57   0.246% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   LYS+ 111  13.42 +/- 2.82   1.092% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   PRO   93  11.33 +/- 2.83   2.290% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   PRO   93  18.21 +/- 2.79   0.467% *  0.0118% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   LYS+ 111  25.73 +/- 3.35   0.131% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   LYS+ 111  26.32 +/- 3.16   0.137% *  0.0234% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   PRO   93  21.89 +/- 2.55   0.207% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   LYS+ 111  29.67 +/- 3.30   0.093% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   LYS+ 111  31.72 +/- 3.85   0.063% *  0.0245% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   PRO   93  27.04 +/- 4.53   0.116% *  0.0095% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   PRO   93  25.09 +/- 3.24   0.141% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2459 (6.74, 0.00, 23.44 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.99, residual support = 22.4:
          HZ2   TRP   27 - QD1   LEU   31   2.76 +/- 0.45  92.680% * 99.8219% (0.87   1.99  22.42) =  99.986%  kept
          HZ    PHE   72 - QD1   LEU   31  10.82 +/- 3.04   7.320% *  0.1781% (0.15   0.02   0.02) =   0.014%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2460 (7.60, 0.00, 23.44 ppm):
    7 chemical-shift based assignments, quality = 0.865, support = 0.841, residual support = 13.1:
          HD21  ASN   28 - QD1   LEU   31   4.50 +/- 0.93  44.183% * 57.2426% (0.92   0.89  19.47) =  64.301%  kept
          HZ2   TRP   87 - QD1   LEU   31   9.44 +/- 6.01  35.044% * 39.7540% (0.76   0.75   1.73) =  35.419%  kept
          HN    ILE   56 - QD1   LEU   31  18.41 +/- 3.73   4.546% *  0.8974% (0.65   0.02   0.02) =   0.104%  kept
          HN    LEU   63 - QD1   LEU   31  13.67 +/- 3.07   2.633% *  1.0601% (0.76   0.02   0.02) =   0.071%
          QE    PHE   60 - QD1   LEU   31  10.48 +/- 2.14   9.971% *  0.2745% (0.20   0.02   0.02) =   0.070%
          HN    ALA   84 - QD1   LEU   31  13.31 +/- 4.41   2.863% *  0.3857% (0.28   0.02   0.02) =   0.028%
          HN    LYS+ 111 - QD1   LEU   31  18.98 +/- 2.94   0.760% *  0.3857% (0.28   0.02   0.02) =   0.007%
    Distance limit 3.92 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2461 (7.82, 0.00, 23.44 ppm):
    3 chemical-shift based assignments, quality = 0.731, support = 0.02, residual support = 0.02:
          HN    ALA   88 - QD1   LEU   31  13.74 +/- 4.24  35.730% * 52.6698% (0.97   0.02   0.02) =  57.425%  kept
          HN    ASP- 105 - QD1   LEU   31  11.86 +/- 3.53  44.587% * 18.6164% (0.34   0.02   0.02) =  25.329%  kept
          HN    PHE   55 - QD1   LEU   31  19.69 +/- 3.79  19.684% * 28.7138% (0.53   0.02   0.02) =  17.247%  kept
    Distance limit 4.30 A violated in 20 structures by 5.48 A, eliminated.
    Peak unassigned.
 
    Peak 2462 (7.86, 0.79, 27.16 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 7.68, residual support = 231.3:
          HN    LEU   31 - HG    LEU   31   2.43 +/- 0.44  96.102% * 99.1396% (0.67   7.68 231.30) =  99.991%  kept
          HN    LYS+  38 - HG    LEU   31  10.41 +/- 1.44   2.249% *  0.1999% (0.52   0.02   0.02) =   0.005%
          HN    ASP-  62 - HG    LEU   31  17.38 +/- 3.41   0.737% *  0.2772% (0.72   0.02   0.02) =   0.002%
          HN    ARG+  54 - HG    LEU   31  23.52 +/- 4.52   0.529% *  0.3063% (0.79   0.02   0.02) =   0.002%
          HN    PHE   55 - HG    LEU   31  23.91 +/- 4.40   0.382% *  0.0771% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2463 (7.88, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.14, residual support = 231.2:
      O   HN    LEU   31 - HB3   LEU   31   3.53 +/- 0.02  88.569% * 99.3670% (0.34  10.0   7.14 231.30) =  99.966%  kept
          HN    LYS+  38 - HB3   LEU   31   8.71 +/- 1.48   8.727% *  0.2907% (1.00   1.0   0.02   0.02) =   0.029%
          HN    ARG+  54 - HB3   LEU   31  24.99 +/- 4.57   1.175% *  0.2226% (0.76   1.0   0.02   0.02) =   0.003%
          HN    ASP-  62 - HB3   LEU   31  18.59 +/- 3.54   1.529% *  0.1198% (0.41   1.0   0.02   0.02) =   0.002%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2464 (8.07, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.774, support = 5.31, residual support = 39.5:
          HN    GLN   32 - HB3   LEU   31   3.94 +/- 0.19  62.830% * 75.7849% (0.76   5.93  44.48) =  85.559%  kept
          HN    ALA   34 - HB3   LEU   31   5.03 +/- 0.65  33.910% * 23.6835% (0.84   1.69   9.89) =  14.431%  kept
          HN    LEU   80 - HB3   LEU   31  17.89 +/- 4.25   1.144% *  0.2431% (0.73   0.02   0.02) =   0.005%
          HN    CYS   53 - HB3   LEU   31  24.61 +/- 4.35   1.221% *  0.1629% (0.49   0.02   0.02) =   0.004%
          HN    SER   85 - HB3   LEU   31  19.16 +/- 4.97   0.894% *  0.1256% (0.38   0.02   0.02) =   0.002%
    Distance limit 3.72 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2465 (4.14, 1.33, 40.94 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 2.55, residual support = 19.4:
        T HA    ASN   28 - HB2   LEU   31   3.69 +/- 0.36  71.031% * 96.9801% (0.73 10.00   2.56  19.47) =  99.725%  kept
        T HA    ALA   34 - HB2   LEU   31   7.48 +/- 0.36   8.981% *  1.1978% (0.90 10.00   0.02   9.89) =   0.156%  kept
          HA    THR   26 - HB2   LEU   31   8.58 +/- 0.27   5.875% *  1.1990% (0.76  1.00   0.23   0.02) =   0.102%  kept
          HA1   GLY  101 - HB2   LEU   31  13.56 +/- 6.52   6.872% *  0.1324% (0.99  1.00   0.02   0.02) =   0.013%
          HA    CYS   53 - HB2   LEU   31  24.13 +/- 4.66   4.226% *  0.0206% (0.15  1.00   0.02   0.02) =   0.001%
          HA    LEU  115 - HB2   LEU   31  22.71 +/- 3.25   0.584% *  0.1021% (0.76  1.00   0.02   0.02) =   0.001%
          HA    ARG+  54 - HB2   LEU   31  25.03 +/- 5.24   1.861% *  0.0297% (0.22  1.00   0.02   0.02) =   0.001%
        T HA    ALA  124 - HB2   LEU   31  27.81 +/- 5.12   0.232% *  0.2061% (0.15 10.00   0.02   0.02) =   0.001%
          HA    GLU- 114 - HB2   LEU   31  25.64 +/- 3.57   0.339% *  0.1324% (0.99  1.00   0.02   0.02) =   0.001%
    Distance limit 3.94 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2467 (7.88, 1.33, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.14, residual support = 231.3:
      O   HN    LEU   31 - HB2   LEU   31   2.58 +/- 0.15  96.388% * 99.3670% (0.34  10.0   7.14 231.30) =  99.990%  kept
          HN    LYS+  38 - HB2   LEU   31   9.61 +/- 1.25   2.434% *  0.2907% (1.00   1.0   0.02   0.02) =   0.007%
          HN    ARG+  54 - HB2   LEU   31  25.59 +/- 4.81   0.688% *  0.2226% (0.76   1.0   0.02   0.02) =   0.002%
          HN    ASP-  62 - HB2   LEU   31  19.36 +/- 3.47   0.490% *  0.1198% (0.41   1.0   0.02   0.02) =   0.001%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2468 (8.07, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.769, support = 5.68, residual support = 42.3:
          HN    GLN   32 - HB2   LEU   31   2.85 +/- 0.27  83.551% * 71.6030% (0.76   5.93  44.48) =  93.612%  kept
          HN    ALA   34 - HB2   LEU   31   5.28 +/- 0.30  14.623% * 27.8948% (0.84   2.11   9.89) =   6.383%  kept
          HN    LEU   80 - HB2   LEU   31  17.72 +/- 4.43   0.645% *  0.2296% (0.73   0.02   0.02) =   0.002%
          HN    CYS   53 - HB2   LEU   31  25.19 +/- 4.64   0.671% *  0.1539% (0.49   0.02   0.02) =   0.002%
          HN    SER   85 - HB2   LEU   31  19.15 +/- 5.14   0.510% *  0.1187% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2469 (7.88, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.14, residual support = 231.3:
      O   HN    LEU   31 - HA    LEU   31   2.78 +/- 0.06  93.802% * 99.3670% (0.34  10.0   7.14 231.30) =  99.982%  kept
          HN    LYS+  38 - HA    LEU   31   7.67 +/- 0.98   5.204% *  0.2907% (1.00   1.0   0.02   0.02) =   0.016%
          HN    ASP-  62 - HA    LEU   31  17.71 +/- 2.93   0.666% *  0.1198% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - HA    LEU   31  24.65 +/- 4.04   0.328% *  0.2226% (0.76   1.0   0.02   0.02) =   0.001%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2470 (8.07, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.777, support = 5.38, residual support = 38.5:
      O   HN    GLN   32 - HA    LEU   31   3.57 +/- 0.05  41.462% * 86.6437% (0.76  10.0   5.93  44.48) =  82.648%  kept
          HN    ALA   34 - HA    LEU   31   3.22 +/- 0.53  57.235% * 13.1763% (0.84   1.0   2.78   9.89) =  17.350%  kept
          HN    LEU   80 - HA    LEU   31  17.50 +/- 4.08   0.539% *  0.0823% (0.73   1.0   0.02   0.02) =   0.001%
          HN    CYS   53 - HA    LEU   31  24.35 +/- 3.77   0.408% *  0.0552% (0.49   1.0   0.02   0.02) =   0.001%
          HN    SER   85 - HA    LEU   31  19.60 +/- 4.38   0.355% *  0.0426% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2471 (0.60, 3.61, 58.19 ppm):
    7 chemical-shift based assignments, quality = 0.543, support = 0.999, residual support = 1.45:
          QD1   LEU   73 - HA    LEU   31   6.50 +/- 2.61  41.041% * 49.5606% (0.49   1.19   1.88) =  76.670%  kept
          QD2   LEU   80 - HA    LEU   31  13.99 +/- 5.57  11.190% * 31.1503% (0.87   0.42   0.02) =  13.139%  kept
          QD1   LEU   63 - HA    LEU   31  12.87 +/- 2.94  15.791% * 14.4634% (0.49   0.35   0.02) =   8.609%  kept
          QD1   LEU  104 - HA    LEU   31  11.56 +/- 3.47  12.485% *  1.6931% (0.99   0.02   0.02) =   0.797%  kept
          QG1   VAL   83 - HA    LEU   31  13.10 +/- 4.70  11.049% *  1.3678% (0.80   0.02   0.02) =   0.570%  kept
          QD2   LEU  115 - HA    LEU   31  17.90 +/- 3.01   2.614% *  1.4268% (0.84   0.02   0.02) =   0.141%  kept
          QG2   ILE   89 - HA    LEU   31  14.69 +/- 2.65   5.831% *  0.3381% (0.20   0.02   0.02) =   0.074%
    Distance limit 3.86 A violated in 12 structures by 1.78 A, kept.
 
    Peak 2472 (7.73, 0.08, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.525, support = 3.58, residual support = 16.7:
          HD1   TRP   87 - QG2   VAL   83   2.69 +/- 0.67  78.627% * 73.5642% (0.53   3.66  16.74) =  96.786%  kept
          HE3   TRP   87 - QG2   VAL   83   6.35 +/- 0.55   8.350% * 19.7272% (0.45   1.15  16.74) =   2.756%  kept
          HN    TRP   27 - QG2   VAL   83  10.98 +/- 3.96   4.613% *  4.9040% (1.00   0.13   0.37) =   0.379%  kept
          HN    ALA   91 - QG2   VAL   83   8.86 +/- 1.58   5.577% *  0.6377% (0.84   0.02   0.02) =   0.060%
          HN    ALA   61 - QG2   VAL   83  14.37 +/- 2.23   0.906% *  0.5835% (0.76   0.02   0.02) =   0.009%
          HN    THR   39 - QG2   VAL   83  16.06 +/- 4.59   1.188% *  0.4323% (0.57   0.02   0.02) =   0.009%
          HN    GLU-  36 - QG2   VAL   83  17.27 +/- 4.71   0.739% *  0.1511% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.34 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2473 (6.72, 0.08, 20.84 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - QG2   VAL   83  12.52 +/- 1.93 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.20 A violated in 20 structures by 9.32 A, eliminated.
    Peak unassigned.
 
    Peak 2474 (7.17, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.562, support = 0.02, residual support = 0.0674:
          HE21  GLN   30 - QG2   VAL   42   9.95 +/- 2.20  26.199% * 30.1124% (0.67   0.02   0.02) =  34.093%  kept
          QD    PHE   59 - QG2   VAL   42   8.48 +/- 2.33  39.124% * 17.5479% (0.39   0.02   0.02) =  29.669%  kept
          HH2   TRP   49 - QG2   VAL   42  16.10 +/- 3.50  13.340% * 34.7918% (0.77   0.02   0.02) =  20.057%  kept
          HD1   TRP   27 - QG2   VAL   42  11.06 +/- 2.42  21.338% * 17.5479% (0.39   0.02   0.31) =  16.181%  kept
    Distance limit 3.39 A violated in 19 structures by 3.60 A, eliminated.
    Peak unassigned.
 
    Peak 2475 (0.98, 0.15, 20.83 ppm):
    8 chemical-shift based assignments, quality = 0.776, support = 0.306, residual support = 1.64:
          QD2   LEU   40 - QG2   VAL   42   3.39 +/- 1.17  43.028% * 64.9658% (0.79  1.00   0.33   1.79) =  91.518%  kept
        T HB    VAL   75 - QG2   VAL   42   7.37 +/- 1.23   5.252% * 19.1884% (0.39 10.00   0.02   0.02) =   3.299%  kept
          QD1   LEU   67 - QG2   VAL   42   5.70 +/- 1.80  16.559% *  3.9334% (0.80  1.00   0.02   0.02) =   2.132%  kept
          HG3   LYS+  74 - QG2   VAL   42  10.09 +/- 2.81  11.924% *  3.7291% (0.76  1.00   0.02   0.02) =   1.456%  kept
          QG2   ILE  103 - QG2   VAL   42   7.63 +/- 2.83   5.993% *  3.9072% (0.79  1.00   0.02   0.02) =   0.767%  kept
          QD2   LEU   71 - QG2   VAL   42   7.12 +/- 1.68   7.532% *  1.9188% (0.39  1.00   0.02   0.84) =   0.473%  kept
          QD1   ILE  103 - QG2   VAL   42   8.66 +/- 2.89   3.824% *  1.4795% (0.30  1.00   0.02   0.02) =   0.185%  kept
          QG2   ILE  119 - QG2   VAL   42   9.91 +/- 3.04   5.890% *  0.8777% (0.18  1.00   0.02   0.02) =   0.169%  kept
    Distance limit 3.10 A violated in 1 structures by 0.34 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2476 (6.75, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.968, support = 4.13, residual support = 21.9:
        T HZ2   TRP   27 - QD2   LEU   31   3.49 +/- 0.72  57.069% * 96.6370% (0.99 10.00   4.21  22.42) =  97.449%  kept
        T HZ2   TRP   27 - QG2   VAL   43   6.05 +/- 3.47  42.931% *  3.3630% (0.07 10.00   1.03   3.40) =   2.551%  kept
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2477 (6.64, 0.07, 21.81 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 3.2, residual support = 51.6:
          HE22  GLN   30 - QD2   LEU   31   4.53 +/- 0.21  72.158% * 99.1210% (0.90   3.20  51.62) =  99.960%  kept
          HD22  ASN   69 - QD2   LEU   31  13.71 +/- 1.94   3.237% *  0.4474% (0.65   0.02   0.02) =   0.020%
          HE22  GLN   30 - QG2   VAL   43   9.07 +/- 2.37  15.881% *  0.0420% (0.06   0.02   0.02) =   0.009%
          HN    TRP   49 - QD2   LEU   31  18.58 +/- 2.92   1.560% *  0.3366% (0.49   0.02   0.02) =   0.007%
          HD22  ASN   69 - QG2   VAL   43  13.49 +/- 2.19   3.887% *  0.0303% (0.04   0.02   0.02) =   0.002%
          HN    TRP   49 - QG2   VAL   43  13.57 +/- 1.52   3.277% *  0.0228% (0.03   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.67 A, kept.
 
    Peak 2478 (4.68, 0.06, 21.48 ppm):
    6 chemical-shift based assignments, quality = 0.499, support = 3.0, residual support = 61.0:
      O T HA    VAL   43 - QG2   VAL   43   2.31 +/- 0.40  77.719% * 99.3737% (0.50  10.0 10.00   3.00  61.01) =  99.954%  kept
          HA    HIS   22 - QG2   VAL   43  10.24 +/- 3.31  14.329% *  0.1356% (0.68   1.0  1.00   0.02   0.02) =   0.025%
        T HA    VAL   43 - QD2   LEU   31   7.76 +/- 2.03   5.066% *  0.2851% (0.14   1.0 10.00   0.02   0.02) =   0.019%
          HA    ASN   69 - QG2   VAL   43  13.22 +/- 1.86   0.634% *  0.1295% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS   22 - QD2   LEU   31   9.66 +/- 1.12   1.579% *  0.0389% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - QD2   LEU   31  12.88 +/- 1.91   0.673% *  0.0371% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2479 (6.34, 0.06, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.197, support = 3.01, residual support = 19.5:
        T HZ3   TRP   27 - QD2   LEU   31   2.98 +/- 0.75  63.309% * 76.4977% (0.14 10.00   3.24  22.42) =  84.885%  kept
          HZ3   TRP   27 - QG2   VAL   43   5.38 +/- 3.06  36.691% * 23.5023% (0.50  1.00   1.76   3.40) =  15.115%  kept
    Distance limit 3.04 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2480 (8.05, 2.39, 33.78 ppm):
    5 chemical-shift based assignments, quality = 0.886, support = 4.34, residual support = 41.8:
          HN    GLN   32 - QG    GLN   32   3.62 +/- 0.47  66.258% * 84.4643% (0.92   4.40  44.09) =  94.649%  kept
          HN    ALA   34 - QG    GLN   32   5.55 +/- 0.37  21.021% * 14.9976% (0.22   3.24   0.65) =   5.332%  kept
          HN    THR   94 - QG    GLN   32  21.01 +/- 4.27  11.531% *  0.0728% (0.18   0.02   0.02) =   0.014%
          HN    SER   85 - QG    GLN   32  21.11 +/- 5.13   0.604% *  0.4012% (0.97   0.02   0.02) =   0.004%
          HN    LEU   80 - QG    GLN   32  19.69 +/- 4.36   0.587% *  0.0641% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2481 (8.05, 2.11, 27.95 ppm):
    5 chemical-shift based assignments, quality = 0.92, support = 4.41, residual support = 43.9:
      O   HN    GLN   32 - QB    GLN   32   2.16 +/- 0.06  89.384% * 96.0324% (0.92  10.0   4.42  44.09) =  99.600%  kept
          HN    ALA   34 - QB    GLN   32   4.70 +/- 0.22   8.993% *  3.8330% (0.22   1.0   3.31   0.65) =   0.400%  kept
          HN    THR   94 - QB    GLN   32  20.00 +/- 3.67   1.207% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - QB    GLN   32  20.00 +/- 4.67   0.183% *  0.1004% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    GLN   32  18.23 +/- 4.34   0.232% *  0.0161% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2484 (8.32, 4.00, 59.42 ppm):
    18 chemical-shift based assignments, quality = 0.262, support = 6.33, residual support = 55.7:
      O   HN    GLN   30 - HA    GLU-  29   3.51 +/- 0.01  27.622% * 69.1126% (0.36  10.0   6.51  26.75) =  55.623%  kept
      O   HN    GLU-  29 - HA    GLU-  29   2.76 +/- 0.03  56.714% * 26.6397% (0.14  10.0   6.15  92.64) =  44.022%  kept
          HN    GLN   30 - HA    GLN   32   6.80 +/- 0.26   3.838% *  2.9265% (0.55   1.0   0.55   1.77) =   0.327%  kept
          HN    GLN   30 - HA    LYS+  33   7.65 +/- 0.57   2.809% *  0.1093% (0.57   1.0   0.02   0.31) =   0.009%
          HN    GLU-  29 - HA    GLN   32   7.67 +/- 0.51   2.741% *  0.0409% (0.21   1.0   0.02   0.02) =   0.003%
          HN    GLU-  14 - HA    LYS+  33  13.59 +/- 4.01   0.841% *  0.1260% (0.65   1.0   0.02   0.02) =   0.003%
          HN    GLU-  14 - HA    GLN   32  16.94 +/- 4.03   0.630% *  0.1224% (0.63   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HA    GLN   32  15.19 +/- 5.57   0.769% *  0.0963% (0.50   1.0   0.02   0.02) =   0.002%
          HN    GLU-  29 - HA    LYS+  33   9.23 +/- 0.78   1.624% *  0.0421% (0.22   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HA    LYS+  33  16.77 +/- 4.84   0.382% *  0.0991% (0.51   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HA    GLU-  29  16.69 +/- 3.36   0.434% *  0.0797% (0.41   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    GLU-  29  17.19 +/- 4.52   0.440% *  0.0627% (0.32   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    LYS+  33  23.01 +/- 5.26   0.257% *  0.0991% (0.51   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLN   32  21.22 +/- 5.65   0.214% *  0.0963% (0.50   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    GLN   32  22.78 +/- 5.87   0.160% *  0.1062% (0.55   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  22.68 +/- 5.27   0.147% *  0.1093% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  20.01 +/- 5.06   0.231% *  0.0627% (0.32   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  23.49 +/- 5.31   0.147% *  0.0691% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2485 (8.04, 4.00, 59.42 ppm):
    12 chemical-shift based assignments, quality = 0.388, support = 4.22, residual support = 42.6:
      O   HN    GLN   32 - HA    GLN   32   2.76 +/- 0.07  56.801% * 78.4526% (0.39  10.0   4.25  44.09) =  95.315%  kept
          HN    GLN   32 - HA    LYS+  33   5.22 +/- 0.13   8.546% * 19.1300% (0.40   1.0   4.74  15.25) =   3.497%  kept
          HN    GLN   32 - HA    GLU-  29   3.48 +/- 0.34  30.080% *  1.8365% (0.25   1.0   0.72   0.02) =   1.182%  kept
          HN    THR   94 - HA    GLN   32  21.79 +/- 4.22   2.302% *  0.0674% (0.33   1.0   0.02   0.02) =   0.003%
          HN    SER   85 - HA    LYS+  33  24.06 +/- 5.38   0.372% *  0.1316% (0.65   1.0   0.02   0.02) =   0.001%
          HN    THR   94 - HA    LYS+  33  23.19 +/- 3.42   0.363% *  0.0694% (0.34   1.0   0.02   0.02) =   0.001%
          HN    SER   85 - HA    GLN   32  22.43 +/- 5.37   0.191% *  0.1279% (0.63   1.0   0.02   0.02) =   0.001%
          HN    THR   94 - HA    GLU-  29  21.60 +/- 3.27   0.350% *  0.0439% (0.22   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    GLU-  29  21.05 +/- 4.77   0.184% *  0.0833% (0.41   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    LYS+  33  21.93 +/- 4.54   0.420% *  0.0220% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLN   32  21.55 +/- 3.71   0.191% *  0.0214% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLU-  29  19.44 +/- 3.10   0.200% *  0.0139% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2486 (7.94, 4.01, 59.34 ppm):
    12 chemical-shift based assignments, quality = 0.626, support = 5.94, residual support = 137.1:
      O   HN    LYS+  33 - HA    LYS+  33   2.87 +/- 0.02  54.128% * 79.1048% (0.69  10.0   6.17 153.50) =  88.120%  kept
      O   HN    LYS+  33 - HA    GLN   32   3.57 +/- 0.04  28.181% * 20.3435% (0.18  10.0   4.29  15.25) =  11.799%  kept
          HN    LYS+  33 - HA    GLU-  29   4.92 +/- 0.89  14.213% *  0.2696% (0.19   1.0   0.24   0.02) =   0.079%
          HN    CYS   21 - HA    LYS+  33  13.60 +/- 1.47   0.596% *  0.1033% (0.90   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HA    GLU-  29  11.41 +/- 0.95   0.921% *  0.0288% (0.25   1.0   0.02   0.02) =   0.001%
          HN    ILE   89 - HA    LYS+  33  23.26 +/- 4.33   0.496% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    GLN   32  14.01 +/- 1.15   0.511% *  0.0266% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    LYS+  33  26.19 +/- 3.09   0.084% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN   32  21.31 +/- 4.57   0.482% *  0.0074% (0.06   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLU-  29  20.80 +/- 3.65   0.194% *  0.0080% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLN   32  25.60 +/- 3.65   0.107% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLU-  29  26.23 +/- 3.50   0.088% *  0.0144% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2487 (7.29, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.695, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    LYS+  33  15.13 +/- 2.35  15.915% * 37.1179% (0.92   0.02   0.02) =  38.809%  kept
          HN    LYS+  81 - QB    LYS+  33  20.12 +/- 5.17   9.601% * 39.4132% (0.98   0.02   0.02) =  24.861%  kept
          HE3   TRP   27 - QB    LYS+  33   8.80 +/- 0.91  62.751% *  5.4417% (0.14   0.02   0.02) =  22.434%  kept
          HN    LYS+  66 - QB    LYS+  33  16.88 +/- 2.37  11.733% * 18.0271% (0.45   0.02   0.02) =  13.896%  kept
    Distance limit 3.73 A violated in 20 structures by 4.89 A, eliminated.
    Peak unassigned.
 
    Peak 2488 (7.95, 1.86, 32.27 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.12, residual support = 153.5:
      O   HN    LYS+  33 - QB    LYS+  33   2.42 +/- 0.28  97.957% * 99.9232% (0.97  10.0   6.12 153.50) =  99.999%  kept
          HN    CYS   21 - QB    LYS+  33  10.61 +/- 1.45   1.888% *  0.0586% (0.57   1.0   0.02   0.02) =   0.001%
          HN    ILE  119 - QB    LYS+  33  22.76 +/- 2.67   0.155% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2489 (8.07, 1.86, 32.27 ppm):
    5 chemical-shift based assignments, quality = 0.881, support = 5.64, residual support = 37.9:
          HN    ALA   34 - QB    LYS+  33   3.30 +/- 0.40  70.808% * 67.4768% (0.92   5.93  42.00) =  84.665%  kept
          HN    GLN   32 - QB    LYS+  33   4.74 +/- 0.38  26.950% * 32.0991% (0.65   4.02  15.25) =  15.329%  kept
          HN    LEU   80 - QB    LYS+  33  18.02 +/- 4.58   0.889% *  0.2060% (0.84   0.02   0.02) =   0.003%
          HN    SER   85 - QB    LYS+  33  20.78 +/- 4.42   0.932% *  0.0686% (0.28   0.02   0.02) =   0.001%
          HN    CYS   53 - QB    LYS+  33  25.20 +/- 3.61   0.420% *  0.1496% (0.61   0.02   0.02) =   0.001%
    Distance limit 3.28 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2490 (8.63, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.565, support = 0.02, residual support = 0.02:
          HN    GLY   16 - QB    LYS+  33   9.18 +/- 3.09  59.806% *  8.4971% (0.20   0.02   0.02) =  29.540%  kept
          HN    SER   82 - QB    LYS+  33  20.19 +/- 5.17  13.217% * 34.3809% (0.80   0.02   0.02) =  26.415%  kept
          HN    GLN   90 - QB    LYS+  33  21.73 +/- 3.68  11.985% * 32.8133% (0.76   0.02   0.02) =  22.860%  kept
          HN    ILE  103 - QB    LYS+  33  17.10 +/- 3.87  14.992% * 24.3087% (0.57   0.02   0.02) =  21.185%  kept
    Distance limit 3.93 A violated in 18 structures by 4.98 A, eliminated.
    Peak unassigned.
 
    Peak 2491 (4.02, 1.55, 25.23 ppm):
    24 chemical-shift based assignments, quality = 0.515, support = 5.59, residual support = 149.7:
      O   HA    LYS+  33 - HG2   LYS+  33   3.91 +/- 0.30  35.582% * 94.0826% (0.53  10.0   5.65 153.50) =  97.300%  kept
          HB2   SER   82 - QG    LYS+  81   5.49 +/- 1.49  21.056% *  4.1604% (0.13   1.0   3.50  13.21) =   2.546%  kept
          HA    GLU-  29 - HG2   LYS+  33   6.82 +/- 1.28   8.194% *  0.2591% (0.38   1.0   0.08   0.02) =   0.062%
          HB2   SER   37 - HG2   LYS+  33   7.61 +/- 2.02   8.008% *  0.1494% (0.84   1.0   0.02   0.02) =   0.035%
          HA    VAL   70 - HG2   LYS+  33  12.48 +/- 3.19   3.114% *  0.1494% (0.84   1.0   0.02   0.02) =   0.014%
          HA1   GLY   16 - HG2   LYS+  33  11.14 +/- 3.38   4.921% *  0.0870% (0.49   1.0   0.02   0.02) =   0.012%
          HA    VAL   18 - HG2   LYS+  33   9.94 +/- 2.76   5.959% *  0.0610% (0.34   1.0   0.02   0.02) =   0.011%
          HA1   GLY   16 - QG    LYS+  81  22.61 +/- 6.14   5.014% *  0.0417% (0.23   1.0   0.02   0.02) =   0.006%
          HB2   SER   37 - QG    LYS+  81  23.04 +/- 5.98   1.678% *  0.0715% (0.40   1.0   0.02   0.02) =   0.003%
          HA    GLN  116 - HG2   LYS+ 106  15.42 +/- 2.87   0.725% *  0.0906% (0.51   1.0   0.02   0.02) =   0.002%
          HA    VAL   70 - HG2   LYS+ 106  17.70 +/- 3.89   0.618% *  0.0906% (0.51   1.0   0.02   0.02) =   0.002%
          HA    VAL   70 - QG    LYS+  81  20.43 +/- 3.94   0.720% *  0.0715% (0.40   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HG2   LYS+ 106  21.27 +/- 3.51   0.273% *  0.0906% (0.51   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG    LYS+  81  22.88 +/- 5.45   0.515% *  0.0450% (0.25   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - HG2   LYS+ 106  22.16 +/- 4.77   0.416% *  0.0528% (0.30   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HG2   LYS+ 106  18.94 +/- 3.91   0.577% *  0.0370% (0.21   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HG2   LYS+  33  25.62 +/- 2.67   0.134% *  0.1494% (0.84   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - QG    LYS+  81  21.39 +/- 3.35   0.263% *  0.0715% (0.40   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - QG    LYS+  81  18.42 +/- 3.59   0.627% *  0.0292% (0.16   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HG2   LYS+  33  21.75 +/- 5.40   0.330% *  0.0497% (0.28   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   LYS+ 106  22.28 +/- 2.89   0.228% *  0.0571% (0.32   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    LYS+  81  20.14 +/- 4.56   0.388% *  0.0321% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+ 106  19.68 +/- 3.39   0.381% *  0.0302% (0.17   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   LYS+ 106  21.22 +/- 3.00   0.278% *  0.0407% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2492 (0.79, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.09, residual support = 124.3:
        T QD1   ILE   56 - QG2   ILE   56   2.59 +/- 0.64  75.476% * 99.6085% (0.98 10.00   5.09 124.29) =  99.977%  kept
          QD2   LEU   73 - QG2   ILE   56  11.70 +/- 3.56  13.633% *  0.0814% (0.80  1.00   0.02   0.02) =   0.015%
          HG    LEU   31 - QG2   ILE   56  18.28 +/- 3.88   3.800% *  0.0657% (0.65  1.00   0.02   0.02) =   0.003%
        T QG1   VAL   41 - QG2   ILE   56  14.10 +/- 2.16   1.126% *  0.1568% (0.15 10.00   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - QG2   ILE   56  12.75 +/- 1.74   1.342% *  0.0738% (0.73  1.00   0.02   0.02) =   0.001%
          QD2   LEU  123 - QG2   ILE   56   9.50 +/- 2.16   4.624% *  0.0138% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 2.80 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2493 (4.17, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.984, support = 0.02, residual support = 0.02:
        T HA    CYS   53 - QG2   ILE   56   4.11 +/- 1.28  81.250% * 49.9558% (0.99 10.00   0.02   0.02) =  97.495%  kept
        T HA    ILE   19 - QG2   ILE   56  17.43 +/- 2.39   1.919% * 42.0992% (0.84 10.00   0.02   0.02) =   1.941%  kept
          HA    GLU- 114 - QG2   ILE   56   9.37 +/- 1.37  14.144% *  1.2568% (0.25  1.00   0.02   0.02) =   0.427%  kept
          HA    GLU-  25 - QG2   ILE   56  21.31 +/- 3.70   0.825% *  3.0570% (0.61  1.00   0.02   0.02) =   0.061%
          HA    THR   26 - QG2   ILE   56  21.31 +/- 3.33   0.851% *  2.8535% (0.57  1.00   0.02   0.02) =   0.058%
          HA1   GLY  101 - QG2   ILE   56  21.92 +/- 2.59   1.010% *  0.7777% (0.15  1.00   0.02   0.02) =   0.019%
    Distance limit 3.18 A violated in 5 structures by 1.03 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2494 (4.45, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.906, support = 4.01, residual support = 20.0:
          HA    PHE   55 - QG2   ILE   56   4.66 +/- 0.67  47.680% * 89.6657% (0.92   4.24  21.30) =  93.814%  kept
          HA    ALA  110 - QG2   ILE   56   8.18 +/- 3.80  29.926% *  9.2972% (0.65   0.63   1.08) =   6.105%  kept
          HA    THR   46 - QG2   ILE   56   8.49 +/- 2.45  15.018% *  0.0908% (0.20   0.02   0.02) =   0.030%
          HA    VAL   42 - QG2   ILE   56  12.93 +/- 2.84   3.354% *  0.3672% (0.80   0.02   0.02) =   0.027%
          HA    GLN   90 - QG2   ILE   56  13.89 +/- 3.70   2.563% *  0.3505% (0.76   0.02   0.02) =   0.020%
          HA    GLN   17 - QG2   ILE   56  17.55 +/- 2.94   0.951% *  0.1143% (0.25   0.02   0.02) =   0.002%
          HA    SER   37 - QG2   ILE   56  22.82 +/- 3.20   0.509% *  0.1143% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 2 structures by 0.79 A, kept.
 
    Peak 2495 (6.89, 1.27, 17.92 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QG2   ILE   56  10.76 +/- 1.36 100.000% *100.0000% (0.73   0.02   0.02) = 100.000%  kept
    Distance limit 3.01 A violated in 20 structures by 7.75 A, eliminated.
    Peak unassigned.
 
    Peak 2496 (7.40, 1.27, 17.92 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.26, residual support = 31.0:
          HN    ALA   57 - QG2   ILE   56   3.60 +/- 0.65  60.827% * 99.1079% (0.92   5.27  31.08) =  99.783%  kept
          HE21  GLN  116 - QG2   ILE   56   7.93 +/- 3.57  33.151% *  0.3534% (0.87   0.02   0.02) =   0.194%  kept
          HN    ALA  120 - QG2   ILE   56   9.59 +/- 2.01   4.808% *  0.1983% (0.49   0.02   0.02) =   0.016%
          HE21  GLN   90 - QG2   ILE   56  16.20 +/- 4.15   1.213% *  0.3403% (0.84   0.02   0.02) =   0.007%
    Distance limit 3.50 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2497 (7.60, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.642, support = 6.64, residual support = 122.8:
          HN    ILE   56 - QG2   ILE   56   2.71 +/- 0.56  72.357% * 91.3411% (0.65   6.71 124.29) =  98.796%  kept
          HN    LYS+ 111 - QG2   ILE   56   8.05 +/- 2.53  10.042% *  4.3874% (0.28   0.75   1.77) =   0.659%  kept
          QE    PHE   60 - QG2   ILE   56   7.74 +/- 2.24  11.031% *  3.1228% (0.20   0.75   3.32) =   0.515%  kept
          HN    LEU   63 - QG2   ILE   56   8.38 +/- 1.35   4.112% *  0.3216% (0.76   0.02   0.02) =   0.020%
          HD21  ASN   28 - QG2   ILE   56  19.00 +/- 3.80   1.320% *  0.3884% (0.92   0.02   0.02) =   0.008%
          HZ2   TRP   87 - QG2   ILE   56  17.53 +/- 3.08   0.441% *  0.3216% (0.76   0.02   0.02) =   0.002%
          HN    ALA   84 - QG2   ILE   56  16.20 +/- 3.18   0.696% *  0.1170% (0.28   0.02   0.02) =   0.001%
    Distance limit 2.99 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2498 (3.86, 1.28, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.788, support = 2.54, residual support = 5.07:
        T HB    THR   39 - QB    ALA   34   4.60 +/- 1.33  35.055% * 91.4204% (0.80 10.00   2.63   5.35) =  93.345%  kept
          HA    GLN   30 - QB    ALA   34   4.85 +/- 1.16  27.879% *  4.2868% (0.44  1.00   1.73   1.69) =   3.481%  kept
          HB3   SER   37 - QB    ALA   34   5.30 +/- 0.90  27.712% *  3.9081% (0.69  1.00   1.00   0.53) =   3.155%  kept
          QB    SER   13 - QB    ALA   34  12.30 +/- 2.76   3.067% *  0.0941% (0.83  1.00   0.02   0.02) =   0.008%
          HA    ILE   89 - QB    ALA   34  16.38 +/- 2.55   2.081% *  0.0779% (0.69  1.00   0.02   0.02) =   0.005%
          HB3   SER   82 - QB    ALA   34  17.30 +/- 4.50   1.256% *  0.1010% (0.89  1.00   0.02   0.02) =   0.004%
          HB    THR  118 - QB    ALA   34  16.93 +/- 2.65   1.069% *  0.0383% (0.34  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - QB    ALA   34  22.56 +/- 2.75   0.532% *  0.0577% (0.51  1.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - QB    ALA   34  19.33 +/- 2.97   1.350% *  0.0157% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.34 A, kept.
 
    Peak 2499 (3.63, 1.28, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.651, support = 1.8, residual support = 9.89:
          HA    LEU   31 - QB    ALA   34   2.38 +/- 0.40 100.000% *100.0000% (0.65   1.80   9.89) = 100.000%  kept
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2500 (0.77, 1.28, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.752, support = 3.07, residual support = 8.38:
        T QG1   VAL   41 - QB    ALA   34   2.93 +/- 1.42  54.844% * 88.3875% (0.75 10.00   3.12   8.31) =  95.060%  kept
          HG    LEU   31 - QB    ALA   34   4.74 +/- 0.69  23.745% * 10.4349% (0.83  1.00   2.14   9.89) =   4.859%  kept
        T QG2   VAL   18 - QB    ALA   34   8.64 +/- 2.18   6.443% *  0.4350% (0.37 10.00   0.02   0.02) =   0.055%
          QD2   LEU   73 - QB    ALA   34   5.90 +/- 1.75   9.178% *  0.0847% (0.72  1.00   0.02   0.02) =   0.015%
          QG1   VAL   43 - QB    ALA   34   8.04 +/- 1.35   4.210% *  0.0685% (0.58  1.00   0.02   0.02) =   0.006%
        T QD1   ILE   56 - QB    ALA   34  15.37 +/- 2.47   0.449% *  0.5567% (0.47 10.00   0.02   0.02) =   0.005%
          QG2   THR   46 - QB    ALA   34  12.75 +/- 2.16   1.131% *  0.0327% (0.28  1.00   0.02   0.02) =   0.001%
    Distance limit 2.58 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2501 (8.38, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.616, support = 3.45, residual support = 21.2:
          HN    ASN   35 - QB    ALA   34   2.98 +/- 0.19  96.863% * 98.6540% (0.62   3.45  21.18) =  99.986%  kept
          HN    ALA   12 - QB    ALA   34  16.02 +/- 2.74   0.849% *  0.8315% (0.89   0.02   0.02) =   0.007%
          HN    PHE   97 - QB    ALA   34  12.30 +/- 2.54   1.840% *  0.2572% (0.28   0.02   0.02) =   0.005%
          HN    LEU  115 - QB    ALA   34  19.37 +/- 2.33   0.448% *  0.2572% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2502 (8.09, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.58, support = 3.7, residual support = 25.1:
      O   HN    ALA   34 - QB    ALA   34   2.05 +/- 0.07  97.707% * 99.6936% (0.58  10.0   3.70  25.14) =  99.998%  kept
          HN    LEU   80 - QB    ALA   34  15.36 +/- 3.71   1.243% *  0.1178% (0.69   1.0   0.02   0.02) =   0.002%
          HN    THR   26 - QB    ALA   34  10.52 +/- 1.04   0.858% *  0.0428% (0.25   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   34  20.59 +/- 2.82   0.191% *  0.1458% (0.85   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2503 (8.08, 4.13, 54.46 ppm):
    8 chemical-shift based assignments, quality = 0.865, support = 3.5, residual support = 25.1:
      O   HN    ALA   34 - HA    ALA   34   2.74 +/- 0.04  90.874% * 99.6949% (0.87  10.0   3.50  25.14) =  99.996%  kept
          HN    GLN   32 - HA    ALA   34   6.66 +/- 0.38   6.559% *  0.0287% (0.25   1.0   0.02   0.65) =   0.002%
          HN    LEU   80 - HA    ALA   34  19.55 +/- 4.87   1.690% *  0.1031% (0.89   1.0   0.02   0.02) =   0.002%
          HN    CYS   53 - HA    ALA   34  26.05 +/- 3.32   0.161% *  0.0977% (0.85   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA  124  23.35 +/- 4.57   0.315% *  0.0224% (0.19   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    ALA  124  26.93 +/- 5.65   0.168% *  0.0229% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA  124  30.19 +/- 4.45   0.117% *  0.0237% (0.21   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    ALA  124  28.61 +/- 5.32   0.116% *  0.0066% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2504 (3.87, 4.13, 54.46 ppm):
    16 chemical-shift based assignments, quality = 0.85, support = 1.51, residual support = 3.46:
          HB    THR   39 - HA    ALA   34   5.24 +/- 1.63  30.782% * 61.8080% (0.88   1.93   5.35) =  59.716%  kept
          HB3   SER   37 - HA    ALA   34   4.49 +/- 1.58  42.431% * 26.6103% (0.89   0.81   0.53) =  35.439%  kept
          HA    GLN   30 - HA    ALA   34   6.25 +/- 1.43  18.202% *  8.2994% (0.16   1.45   1.69) =   4.741%  kept
          QB    SER   13 - HA    ALA   34  13.43 +/- 3.64   2.873% *  0.6318% (0.87   0.02   0.02) =   0.057%
          HA    ILE   89 - HA    ALA   34  21.47 +/- 3.26   0.731% *  0.6532% (0.89   0.02   0.02) =   0.015%
          HB3   SER   82 - HA    ALA   34  22.04 +/- 5.57   0.725% *  0.4754% (0.65   0.02   0.02) =   0.011%
          HB    THR  118 - HA    ALA   34  21.62 +/- 3.09   0.502% *  0.5003% (0.69   0.02   0.02) =   0.008%
          HB    THR  118 - HA    ALA  124  13.84 +/- 0.61   1.305% *  0.1148% (0.16   0.02   0.02) =   0.005%
          QB    SER   13 - HA    ALA  124  26.66 +/- 7.49   0.565% *  0.1450% (0.20   0.02   0.02) =   0.003%
          HB    THR   39 - HA    ALA  124  24.20 +/- 6.76   0.475% *  0.1473% (0.20   0.02   0.02) =   0.002%
          HB3   SER   37 - HA    ALA  124  26.12 +/- 6.98   0.333% *  0.1499% (0.21   0.02   0.02) =   0.002%
          HD3   PRO   52 - HA    ALA   34  28.44 +/- 3.30   0.208% *  0.1457% (0.20   0.02   0.02) =   0.001%
          HA    ILE   89 - HA    ALA  124  28.29 +/- 2.97   0.156% *  0.1499% (0.21   0.02   0.02) =   0.001%
          HD3   PRO   52 - HA    ALA  124  25.98 +/- 5.18   0.403% *  0.0335% (0.05   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA  124  34.57 +/- 4.24   0.094% *  0.1091% (0.15   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ALA  124  27.56 +/- 5.32   0.215% *  0.0263% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.36 A, kept.
 
    Peak 2505 (4.39, 2.95, 38.12 ppm):
    18 chemical-shift based assignments, quality = 0.896, support = 4.02, residual support = 54.6:
      O T HA    ASN   35 - HB2   ASN   35   2.67 +/- 0.18  80.420% * 97.5620% (0.90  10.0 10.00   4.02  54.66) =  99.949%  kept
        T HA    GLU-  15 - HB2   ASN   35  14.34 +/- 4.13   3.163% *  0.4877% (0.45   1.0 10.00   0.02   0.02) =   0.020%
        T HA    LEU   40 - HB2   ASN   35  10.18 +/- 1.02   2.047% *  0.7037% (0.65   1.0 10.00   0.02   0.02) =   0.018%
          HA    SER   13 - HB2   ASN   35  18.15 +/- 5.03   6.661% *  0.0488% (0.45   1.0  1.00   0.02   0.02) =   0.004%
        T HA    ASN   35 - HB2   ASN   28  13.18 +/- 1.30   0.755% *  0.3035% (0.28   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LEU   40 - HB2   ASN   28  15.44 +/- 1.85   0.578% *  0.2189% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HB2   ASN   35  13.82 +/- 6.49   1.465% *  0.0831% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HB2   ASN   28  15.95 +/- 4.81   2.947% *  0.0259% (0.24   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  15 - HB2   ASN   28  17.27 +/- 2.14   0.379% *  0.1517% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB2   ASN   35  27.41 +/- 5.56   0.121% *  0.1066% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   35  28.34 +/- 4.55   0.102% *  0.1004% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   35  24.99 +/- 3.88   0.144% *  0.0530% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   28  20.26 +/- 3.49   0.441% *  0.0152% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   28  25.85 +/- 4.36   0.208% *  0.0312% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   28  22.29 +/- 4.28   0.331% *  0.0165% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   28  28.03 +/- 5.30   0.105% *  0.0332% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   35  30.91 +/- 3.39   0.059% *  0.0447% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   28  29.71 +/- 4.19   0.074% *  0.0139% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2506 (8.35, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 5.83, residual support = 54.7:
      O   HN    ASN   35 - HB2   ASN   35   3.10 +/- 0.44  77.676% * 99.6071% (0.57  10.0   5.83  54.66) =  99.984%  kept
          HN    GLU-  14 - HB2   ASN   35  16.86 +/- 5.03  14.592% *  0.0600% (0.34   1.0   0.02   0.02) =   0.011%
          HN    LYS+  99 - HB2   ASN   35  15.65 +/- 6.49   1.350% *  0.0996% (0.57   1.0   0.02   0.02) =   0.002%
          HN    ASN   35 - HB2   ASN   28  11.13 +/- 0.76   1.921% *  0.0310% (0.18   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   ASN   28  17.13 +/- 4.78   1.641% *  0.0310% (0.18   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   ASN   35  22.89 +/- 6.49   0.352% *  0.0856% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   35  19.80 +/- 4.76   0.912% *  0.0308% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   28  19.13 +/- 3.21   0.731% *  0.0187% (0.11   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   28  23.17 +/- 5.58   0.348% *  0.0266% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   28  22.20 +/- 4.11   0.476% *  0.0096% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2508 (7.37, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.58, residual support = 54.7:
      O   HD21  ASN   35 - HB2   ASN   35   2.97 +/- 0.42  90.238% * 99.7208% (1.00  10.0   3.58  54.66) =  99.997%  kept
          HE21  GLN   90 - HB2   ASN   35  27.63 +/- 6.35   2.413% *  0.0249% (0.25   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB2   ASN   28  12.05 +/- 1.66   1.860% *  0.0310% (0.31   1.0   0.02   0.02) =   0.001%
          HD2   HIS   22 - HB2   ASN   28  12.44 +/- 1.58   1.707% *  0.0237% (0.24   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   35  19.54 +/- 2.57   0.429% *  0.0762% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   35  19.50 +/- 3.77   0.956% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   35  30.49 +/- 4.62   0.270% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   28  25.19 +/- 4.43   0.536% *  0.0188% (0.19   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   28  20.00 +/- 3.97   1.131% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   28  22.34 +/- 4.44   0.460% *  0.0077% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2509 (3.98, 2.95, 38.12 ppm):
    24 chemical-shift based assignments, quality = 0.819, support = 2.52, residual support = 6.6:
        T HA    GLN   32 - HB2   ASN   35   4.78 +/- 1.14  26.194% * 73.6080% (0.99 10.00   2.06   3.40) =  79.260%  kept
        T HA    GLU-  29 - HB2   ASN   28   4.20 +/- 0.18  32.055% *  7.8802% (0.11 10.00   5.75  32.53) =  10.384%  kept
        T HA    LYS+  33 - HB2   ASN   35   5.45 +/- 0.30  14.992% * 16.5340% (0.22 10.00   2.85   5.09) =  10.190%  kept
          HA    VAL   18 - HB2   ASN   35  14.97 +/- 3.47   3.016% *  0.5967% (0.38  1.00   0.43   0.02) =   0.074%
        T HA    GLN   32 - HB2   ASN   28   8.60 +/- 0.82   3.938% *  0.2290% (0.31 10.00   0.02   0.02) =   0.037%
        T HA    GLU-  29 - HB2   ASN   35   9.79 +/- 1.40   2.459% *  0.2533% (0.34 10.00   0.02   0.02) =   0.026%
          HA    ALA   88 - HB2   ASN   35  25.43 +/- 5.79   2.479% *  0.0728% (0.98  1.00   0.02   0.02) =   0.007%
        T HA    LYS+  65 - HB2   ASN   35  20.67 +/- 3.03   0.358% *  0.3330% (0.45 10.00   0.02   0.02) =   0.005%
          HA2   GLY   16 - HB2   ASN   35  15.66 +/- 4.99   4.006% *  0.0279% (0.38  1.00   0.02   0.02) =   0.005%
        T HA    LYS+  33 - HB2   ASN   28  10.95 +/- 0.72   1.914% *  0.0514% (0.07 10.00   0.02   0.02) =   0.004%
        T HA    LYS+  65 - HB2   ASN   28  19.26 +/- 3.44   0.496% *  0.1036% (0.14 10.00   0.02   0.02) =   0.002%
          QB    SER   85 - HB2   ASN   35  23.45 +/- 5.68   0.910% *  0.0279% (0.38  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB2   ASN   28  17.42 +/- 7.83   2.084% *  0.0104% (0.14  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HB2   ASN   35  27.91 +/- 4.57   0.287% *  0.0620% (0.84  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HB2   ASN   28  26.45 +/- 4.81   0.640% *  0.0226% (0.30  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HB2   ASN   28  22.10 +/- 4.67   0.723% *  0.0193% (0.26  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HB2   ASN   35  30.87 +/- 4.28   0.187% *  0.0728% (0.98  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HB2   ASN   28  20.21 +/- 4.54   0.510% *  0.0226% (0.30  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   35  25.02 +/- 7.29   0.324% *  0.0333% (0.45  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   28  14.88 +/- 1.76   0.908% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   28  17.65 +/- 5.17   0.778% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   28  19.63 +/- 2.47   0.410% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   35  27.46 +/- 4.55   0.163% *  0.0101% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   28  27.68 +/- 4.72   0.171% *  0.0031% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2510 (2.15, 2.86, 38.12 ppm):
    6 chemical-shift based assignments, quality = 0.988, support = 4.94, residual support = 51.4:
          QB    GLU-  36 - HB3   ASN   35   4.38 +/- 0.20  68.442% * 97.7474% (0.99   4.96  51.53) =  99.686%  kept
          HB2   LYS+  38 - HB3   ASN   35   7.25 +/- 0.71  16.844% *  0.9715% (0.18   0.28   0.02) =   0.244%  kept
          HB3   GLU-  29 - HB3   ASN   35  10.02 +/- 1.07   6.407% *  0.3674% (0.92   0.02   0.02) =   0.035%
          HB2   GLN   90 - HB3   ASN   35  26.92 +/- 5.25   3.590% *  0.3042% (0.76   0.02   0.02) =   0.016%
          HG3   GLU-  29 - HB3   ASN   35  12.02 +/- 1.08   3.564% *  0.2254% (0.57   0.02   0.02) =   0.012%
          HB3   GLU-  79 - HB3   ASN   35  22.35 +/- 4.43   1.153% *  0.3841% (0.97   0.02   0.02) =   0.007%
    Distance limit 4.00 A violated in 0 structures by 0.34 A, kept.
 
    Peak 2511 (2.15, 2.95, 38.12 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 5.47, residual support = 44.8:
          QB    GLU-  36 - HB2   ASN   35   4.94 +/- 0.58  24.258% * 65.2855% (0.99  1.00   5.41  51.53) =  65.545%  kept
          HG3   GLU-  29 - HB2   ASN   28   4.09 +/- 0.41  39.392% * 12.3169% (0.18  1.00   5.74  32.53) =  20.081%  kept
          HB3   GLU-  29 - HB2   ASN   28   5.51 +/- 0.29  17.361% * 19.3703% (0.29  1.00   5.54  32.53) =  13.918%  kept
          HB2   LYS+  38 - HB2   ASN   35   6.60 +/- 0.83  10.455% *  0.8445% (0.18  1.00   0.40   0.02) =   0.365%  kept
        T HB3   GLU-  79 - HB2   ASN   28  16.11 +/- 4.02   1.230% *  0.7313% (0.30 10.00   0.02   0.02) =   0.037%
          HB3   GLU-  29 - HB2   ASN   35  11.07 +/- 1.07   2.153% *  0.2249% (0.92  1.00   0.02   0.02) =   0.020%
        T HB2   GLN   90 - HB2   ASN   28  22.09 +/- 4.15   0.350% *  0.5791% (0.24 10.00   0.02   0.02) =   0.008%
          HG3   GLU-  29 - HB2   ASN   35  13.03 +/- 1.32   1.354% *  0.1379% (0.57  1.00   0.02   0.02) =   0.008%
          HB2   GLN   90 - HB2   ASN   35  27.36 +/- 5.47   0.981% *  0.1862% (0.76  1.00   0.02   0.02) =   0.008%
          HB3   GLU-  79 - HB2   ASN   35  23.12 +/- 4.73   0.473% *  0.2351% (0.97  1.00   0.02   0.02) =   0.005%
          QB    GLU-  36 - HB2   ASN   28  12.84 +/- 0.93   1.326% *  0.0751% (0.31  1.00   0.02   0.02) =   0.004%
          HB2   LYS+  38 - HB2   ASN   28  16.87 +/- 2.03   0.665% *  0.0133% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2512 (4.00, 2.86, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.731, support = 1.83, residual support = 4.22:
          HA    LYS+  33 - HB3   ASN   35   4.30 +/- 0.68  32.534% * 56.1571% (0.92  1.00   1.77   5.09) =  53.345%  kept
          HA    GLN   32 - HB3   ASN   35   3.90 +/- 1.13  45.010% * 33.6065% (0.49  1.00   2.00   3.40) =  44.165%  kept
        T HA    VAL   18 - HB3   ASN   35  14.29 +/- 3.70  11.601% *  6.8735% (1.00 10.00   0.02   0.02) =   2.328%  kept
          HA    GLU-  29 - HB3   ASN   35   8.81 +/- 1.16   3.498% *  0.6828% (0.99  1.00   0.02   0.02) =   0.070%
          HA    VAL   70 - HB3   ASN   35  13.82 +/- 2.35   3.743% *  0.4456% (0.65  1.00   0.02   0.02) =   0.049%
          HA    ALA   88 - HB3   ASN   35  25.02 +/- 5.56   2.435% *  0.3624% (0.53  1.00   0.02   0.02) =   0.026%
          HB2   SER   82 - HB3   ASN   35  24.32 +/- 7.04   0.347% *  0.6873% (1.00  1.00   0.02   0.02) =   0.007%
          HA    SER   48 - HB3   ASN   35  27.21 +/- 4.59   0.425% *  0.5265% (0.76  1.00   0.02   0.02) =   0.007%
          HA    GLN  116 - HB3   ASN   35  27.21 +/- 3.29   0.162% *  0.4456% (0.65  1.00   0.02   0.02) =   0.002%
          HD2   PRO   52 - HB3   ASN   35  30.41 +/- 4.42   0.244% *  0.2126% (0.31  1.00   0.02   0.02) =   0.002%
    Distance limit 3.61 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2513 (4.39, 2.86, 38.12 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 3.94, residual support = 54.7:
      O   HA    ASN   35 - HB3   ASN   35   2.98 +/- 0.14  87.475% * 99.4336% (0.90  10.0   3.94  54.66) =  99.991%  kept
          HA    SER   13 - HB3   ASN   35  17.51 +/- 4.94   5.164% *  0.0497% (0.45   1.0   0.02   0.02) =   0.003%
          HA    LEU   40 - HB3   ASN   35  10.24 +/- 1.03   2.298% *  0.0717% (0.65   1.0   0.02   0.02) =   0.002%
          HA    LYS+  99 - HB3   ASN   35  13.75 +/- 6.14   1.915% *  0.0847% (0.76   1.0   0.02   0.02) =   0.002%
          HA    GLU-  15 - HB3   ASN   35  13.84 +/- 4.03   2.506% *  0.0497% (0.45   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HB3   ASN   35  27.45 +/- 5.34   0.171% *  0.1087% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   ASN   35  28.11 +/- 4.51   0.175% *  0.1023% (0.92   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   ASN   35  24.70 +/- 3.74   0.205% *  0.0540% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   ASN   35  30.88 +/- 3.29   0.091% *  0.0456% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2514 (7.37, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 54.7:
      O   HD21  ASN   35 - HB3   ASN   35   2.49 +/- 0.44  97.791% * 99.8105% (1.00  10.0   3.26  54.66) =  99.999%  kept
          HE21  GLN   90 - HB3   ASN   35  27.20 +/- 6.23   1.330% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   ASN   35  18.58 +/- 2.40   0.427% *  0.0763% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   ASN   35  19.24 +/- 3.48   0.334% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASN   35  29.88 +/- 4.58   0.117% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2515 (7.76, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 0.964, support = 5.84, residual support = 50.9:
          HN    GLU-  36 - HB3   ASN   35   2.96 +/- 0.22  82.382% * 92.3663% (0.97   5.91  51.53) =  98.723%  kept
          HN    THR   39 - HB3   ASN   35   7.04 +/- 0.94  14.014% *  6.9642% (0.90   0.48   0.11) =   1.266%  kept
          HD1   TRP   87 - HB3   ASN   35  20.99 +/- 5.30   1.394% *  0.2990% (0.92   0.02   0.02) =   0.005%
          HN    LYS+ 102 - HB3   ASN   35  15.96 +/- 6.88   1.279% *  0.2705% (0.84   0.02   0.02) =   0.004%
          HN    TRP   27 - HB3   ASN   35  13.78 +/- 0.82   0.930% *  0.1000% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2516 (8.37, 2.86, 38.12 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.86, residual support = 54.7:
      O   HN    ASN   35 - HB3   ASN   35   2.27 +/- 0.22  99.609% * 99.9102% (0.97  10.0   5.86  54.66) = 100.000%  kept
          HN    ALA   12 - HB3   ASN   35  19.20 +/- 4.63   0.391% *  0.0898% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2517 (6.53, 2.86, 38.12 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 3.26, residual support = 54.7:
      O   HD22  ASN   35 - HB3   ASN   35   3.54 +/- 0.27 100.000% *100.0000% (0.99  10.0   3.26  54.66) = 100.000%  kept
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2518 (7.77, 2.95, 38.12 ppm):
    8 chemical-shift based assignments, quality = 0.919, support = 5.99, residual support = 51.1:
          HN    GLU-  36 - HB2   ASN   35   3.57 +/- 0.50  73.522% * 94.8577% (0.92   6.04  51.53) =  99.101%  kept
          HN    THR   39 - HB2   ASN   35   7.00 +/- 1.19  14.242% *  4.2913% (0.53   0.48   0.11) =   0.868%  kept
          HN    LYS+ 102 - HB2   ASN   35  15.88 +/- 7.33   2.728% *  0.3395% (1.00   0.02   0.02) =   0.013%
          HD1   TRP   87 - HB2   ASN   35  21.45 +/- 5.62   4.148% *  0.1926% (0.57   0.02   0.02) =   0.011%
          HN    GLU-  36 - HB2   ASN   28  12.98 +/- 0.70   1.765% *  0.0977% (0.29   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HB2   ASN   28  17.93 +/- 5.10   1.079% *  0.1056% (0.31   0.02   0.02) =   0.002%
          HD1   TRP   87 - HB2   ASN   28  16.28 +/- 4.67   1.375% *  0.0599% (0.18   0.02   0.02) =   0.001%
          HN    THR   39 - HB2   ASN   28  14.86 +/- 1.27   1.142% *  0.0557% (0.16   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2519 (4.09, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 5.55, residual support = 86.2:
      O T HA    GLU-  36 - QB    GLU-  36   2.40 +/- 0.18  96.251% * 99.4140% (0.84  10.0 10.00   5.55  86.24) =  99.996%  kept
        T HA    GLU-  36 - HB3   GLU-  29  12.47 +/- 1.22   0.788% *  0.3080% (0.26   1.0 10.00   0.02   0.02) =   0.003%
          HA    LYS+  81 - QB    GLU-  36  23.18 +/- 6.18   1.697% *  0.0864% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  66 - QB    GLU-  36  19.04 +/- 2.75   0.268% *  0.0626% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HB3   GLU-  29  21.92 +/- 3.82   0.299% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    GLU-  36  26.00 +/- 6.16   0.153% *  0.0367% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   GLU-  29  21.67 +/- 4.39   0.188% *  0.0268% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    GLU-  36  26.76 +/- 4.09   0.094% *  0.0265% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   GLU-  29  27.82 +/- 5.18   0.189% *  0.0082% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   GLU-  29  30.56 +/- 5.85   0.075% *  0.0114% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2520 (7.93, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.446, support = 3.67, residual support = 18.7:
          HN    SER   37 - QB    GLU-  36   3.21 +/- 0.38  62.604% * 91.6334% (0.45   3.71  18.97) =  98.818%  kept
          HN    LYS+  33 - QB    GLU-  36   5.69 +/- 0.76  14.024% *  4.5441% (0.28   0.30   0.02) =   1.098%  kept
          HN    LYS+  33 - HB3   GLU-  29   5.61 +/- 1.03  16.587% *  0.0948% (0.09   0.02   0.02) =   0.027%
          HN    ILE   89 - QB    GLU-  36  22.57 +/- 4.46   1.812% *  0.7121% (0.65   0.02   0.02) =   0.022%
          HN    CYS   21 - QB    GLU-  36  14.39 +/- 1.86   0.846% *  1.0624% (0.97   0.02   0.02) =   0.015%
          HN    CYS   21 - HB3   GLU-  29  10.74 +/- 1.19   1.851% *  0.3291% (0.30   0.02   0.02) =   0.010%
          HN    SER   37 - HB3   GLU-  29  11.85 +/- 1.59   1.638% *  0.1529% (0.14   0.02   0.02) =   0.004%
          HN    ILE  119 - QB    GLU-  36  24.16 +/- 3.04   0.186% *  0.9549% (0.87   0.02   0.02) =   0.003%
          HN    ILE   89 - HB3   GLU-  29  21.97 +/- 3.31   0.306% *  0.2206% (0.20   0.02   0.02) =   0.001%
          HN    ILE  119 - HB3   GLU-  29  26.85 +/- 3.48   0.146% *  0.2958% (0.27   0.02   0.02) =   0.001%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2521 (7.77, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.686, support = 7.29, residual support = 86.1:
      O   HN    GLU-  36 - QB    GLU-  36   2.13 +/- 0.14  92.008% * 96.5232% (0.69  10.0   7.30  86.24) =  99.826%  kept
          HN    THR   39 - QB    GLU-  36   6.18 +/- 0.56   4.838% *  3.1724% (0.28   1.0   1.62   1.06) =   0.173%  kept
          HN    LYS+ 102 - QB    GLU-  36  16.44 +/- 5.43   0.338% *  0.1219% (0.87   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   GLU-  29  10.30 +/- 1.35   0.982% *  0.0299% (0.21   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    GLU-  36  20.62 +/- 4.84   0.652% *  0.0434% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   GLU-  29  19.15 +/- 4.43   0.219% *  0.0378% (0.27   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   GLU-  29  13.32 +/- 1.99   0.518% *  0.0121% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    GLU-  36  19.04 +/- 3.30   0.164% *  0.0350% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   GLU-  29  19.56 +/- 3.60   0.159% *  0.0134% (0.10   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HB3   GLU-  29  21.26 +/- 3.22   0.122% *  0.0109% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2522 (7.78, 2.46, 36.40 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 4.81, residual support = 86.2:
          HN    GLU-  36 - HG2   GLU-  36   3.49 +/- 0.45  98.307% * 98.3902% (0.28   4.82  86.24) =  99.987%  kept
          HN    LYS+ 102 - HG2   GLU-  36  18.72 +/- 6.71   1.166% *  0.6590% (0.45   0.02   0.02) =   0.008%
          HN    ASP- 105 - HG2   GLU-  36  21.71 +/- 4.24   0.527% *  0.9508% (0.65   0.02   0.02) =   0.005%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2523 (7.77, 2.31, 36.40 ppm):
    10 chemical-shift based assignments, quality = 0.681, support = 4.76, residual support = 85.1:
          HN    GLU-  36 - HG3   GLU-  36   3.88 +/- 0.61  78.726% * 90.6900% (0.69   4.82  86.24) =  98.607%  kept
          HN    THR   39 - HG3   GLU-  36   7.69 +/- 1.33  11.912% *  8.3650% (0.28   1.10   1.06) =   1.376%  kept
          HN    LYS+ 102 - HG3   GLU-  36  19.35 +/- 6.54   1.046% *  0.4757% (0.87   0.02   0.02) =   0.007%
          HD1   TRP   87 - HG3   GLU-  36  24.21 +/- 5.82   2.916% *  0.1693% (0.31   0.02   0.02) =   0.007%
          HN    GLU-  36 - QB    MET   11  17.08 +/- 4.48   2.001% *  0.0469% (0.09   0.02   0.02) =   0.001%
          HN    ASP- 105 - HG3   GLU-  36  22.32 +/- 4.11   0.529% *  0.1367% (0.25   0.02   0.02) =   0.001%
          HN    LYS+ 102 - QB    MET   11  25.81 +/- 5.68   0.725% *  0.0593% (0.11   0.02   0.02) =   0.001%
          HN    THR   39 - QB    MET   11  18.80 +/- 4.24   1.212% *  0.0190% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    MET   11  27.53 +/- 5.91   0.583% *  0.0211% (0.04   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    MET   11  27.65 +/- 4.16   0.349% *  0.0170% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2524 (7.78, 4.10, 58.69 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 6.05, residual support = 86.2:
      O   HN    GLU-  36 - HA    GLU-  36   2.80 +/- 0.05  99.021% * 99.6076% (0.28  10.0   6.05  86.24) =  99.998%  kept
          HN    LYS+ 102 - HA    GLU-  36  18.21 +/- 7.00   0.700% *  0.1606% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASP- 105 - HA    GLU-  36  21.33 +/- 4.18   0.279% *  0.2318% (0.65   1.0   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2525 (7.91, 4.03, 64.19 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.8, residual support = 29.7:
      O   HN    SER   37 - HB2   SER   37   2.98 +/- 0.42  98.042% * 99.7690% (0.98  10.0   3.80  29.69) =  99.999%  kept
          HN    CYS   21 - HB2   SER   37  14.64 +/- 2.90   1.306% *  0.0418% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ILE   89 - HB2   SER   37  23.21 +/- 4.00   0.369% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   SER   37  23.25 +/- 3.63   0.283% *  0.0883% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2526 (8.29, 3.88, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.51, support = 0.02, residual support = 0.02:
          HN    GLU-  29 - HB3   SER   37  14.00 +/- 1.72  11.220% * 22.4691% (0.82   0.02   0.02) =  22.868%  kept
          HN    GLN   30 - HB3   SER   37  11.84 +/- 1.77  19.209% * 12.9780% (0.47   0.02   0.02) =  22.614%  kept
          HN    GLU-  29 - QB    SER   13  15.89 +/- 2.88   9.649% * 17.1942% (0.63   0.02   0.02) =  15.049%  kept
          HN    VAL   18 - QB    SER   13  10.70 +/- 2.20  24.969% *  4.8772% (0.18   0.02   0.02) =  11.047%  kept
          HN    GLN   30 - QB    SER   13  14.53 +/- 2.69  12.037% *  9.9312% (0.36   0.02   0.02) =  10.844%  kept
          HN    VAL   18 - HB3   SER   37  13.25 +/- 3.39  16.330% *  6.3735% (0.23   0.02   0.02) =   9.441%  kept
          HN    ASP-  86 - HB3   SER   37  24.19 +/- 5.24   4.294% * 14.8290% (0.54   0.02   0.02) =   5.776%  kept
          HN    ASP-  86 - QB    SER   13  25.36 +/- 5.17   2.293% * 11.3477% (0.41   0.02   0.02) =   2.360%  kept
    Distance limit 3.91 A violated in 20 structures by 4.53 A, eliminated.
    Peak unassigned.
 
    Peak 2527 (7.88, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.914, support = 6.63, residual support = 217.1:
      O   HN    LYS+  38 - HA    LYS+  38   2.22 +/- 0.01  79.211% * 91.8827% (0.92  10.0   6.63 219.76) =  98.640%  kept
          HN    SER   37 - HA    LYS+  38   4.13 +/- 0.19  12.499% *  8.0217% (0.25   1.0   6.46  20.59) =   1.359%  kept
          HN    LYS+  38 - HA    GLU- 100  12.42 +/- 8.58   3.799% *  0.0056% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LYS+  38   9.97 +/- 1.72   1.347% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LYS+  38  27.69 +/- 4.05   0.055% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LYS+  38  20.14 +/- 2.55   0.130% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLU- 100  13.15 +/- 7.85   1.647% *  0.0015% (0.02   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    GLU- 100  13.54 +/- 5.42   1.172% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    GLU- 100  28.81 +/- 2.90   0.041% *  0.0029% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    GLU- 100  22.23 +/- 2.83   0.098% *  0.0012% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2528 (7.75, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.922, support = 6.33, residual support = 22.7:
      O   HN    THR   39 - HA    LYS+  38   3.04 +/- 0.13  56.659% * 91.9153% (0.92  10.0   6.41  22.99) =  98.382%  kept
          HN    GLU-  36 - HA    LYS+  38   5.35 +/- 0.32  10.673% *  7.3786% (0.95   1.0   1.57   2.48) =   1.488%  kept
          HN    LYS+ 102 - HA    GLU- 100   5.25 +/- 0.54  12.283% *  0.4792% (0.05   1.0   1.99   0.02) =   0.111%  kept
          HD1   TRP   87 - HA    LYS+  38  20.17 +/- 5.84   8.674% *  0.0942% (0.95   1.0   0.02   0.02) =   0.015%
          HN    LYS+ 102 - HA    LYS+  38  14.55 +/- 7.99   1.793% *  0.0797% (0.80   1.0   0.02   0.02) =   0.003%
          HN    THR   39 - HA    GLU- 100  12.13 +/- 8.25   5.898% *  0.0056% (0.06   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HA    LYS+  38  15.49 +/- 1.96   0.506% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    GLU- 100  13.46 +/- 7.35   2.267% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    GLU- 100  17.95 +/- 4.21   0.471% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    GLU- 100  16.95 +/- 4.55   0.777% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2529 (7.91, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.2, residual support = 20.6:
          HN    SER   37 - HB2   LYS+  38   4.66 +/- 0.17  94.556% * 99.1939% (1.00   5.20  20.59) =  99.985%  kept
          HN    ILE   89 - HB2   LYS+  38  24.42 +/- 4.66   2.273% *  0.3693% (0.97   0.02   0.02) =   0.009%
          HN    ILE  119 - HB2   LYS+  38  24.49 +/- 4.24   1.033% *  0.3064% (0.80   0.02   0.02) =   0.003%
          HN    CYS   21 - HB2   LYS+  38  17.79 +/- 2.32   2.138% *  0.1305% (0.34   0.02   0.02) =   0.003%
    Distance limit 3.82 A violated in 0 structures by 0.84 A, kept.
 
    Peak 2530 (7.77, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.503, support = 5.33, residual support = 20.3:
          HN    THR   39 - HB2   LYS+  38   4.31 +/- 0.19  62.265% * 69.4232% (0.45   5.94  22.99) =  86.803%  kept
          HN    GLU-  36 - HB2   LYS+  38   6.22 +/- 0.35  21.870% * 29.8121% (0.87   1.32   2.48) =  13.093%  kept
          HD1   TRP   87 - HB2   LYS+  38  22.53 +/- 6.02  11.324% *  0.2537% (0.49   0.02   0.02) =   0.058%
          HN    LYS+ 102 - HB2   LYS+  38  16.33 +/- 8.41   4.540% *  0.5109% (0.98   0.02   0.02) =   0.047%
    Distance limit 3.41 A violated in 0 structures by 0.82 A, kept.
 
    Peak 2531 (7.89, 1.32, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.755, support = 5.74, residual support = 198.3:
          HN    LYS+  38 - HG2   LYS+  38   3.33 +/- 0.35  71.027% * 71.6649% (0.80   5.85 219.76) =  89.237%  kept
          HN    SER   37 - HG2   LYS+  38   4.96 +/- 0.32  21.899% * 28.0174% (0.38   4.88  20.59) =  10.756%  kept
          HN    LYS+  38 - HG2   LYS+  99  13.42 +/- 8.05   3.648% *  0.0668% (0.22   0.02   0.02) =   0.004%
          HN    SER   37 - HG2   LYS+  99  14.20 +/- 7.45   2.147% *  0.0313% (0.10   0.02   0.02) =   0.001%
          HN    ILE   89 - HG2   LYS+  38  24.28 +/- 4.48   0.533% *  0.0681% (0.22   0.02   0.02) =   0.001%
          HN    ARG+  54 - HG2   LYS+  38  29.50 +/- 4.33   0.157% *  0.1044% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  99  20.02 +/- 2.11   0.414% *  0.0186% (0.06   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  99  27.21 +/- 2.86   0.175% *  0.0285% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2532 (7.89, 1.26, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.741, support = 5.65, residual support = 191.8:
          HN    LYS+  38 - HG3   LYS+  38   4.36 +/- 0.12  63.897% * 69.4923% (0.80   5.71 219.76) =  85.963%  kept
          HN    SER   37 - HG3   LYS+  38   6.06 +/- 0.19  23.934% * 30.2812% (0.38   5.31  20.59) =  14.031%  kept
          HN    LYS+  38 - HG3   LYS+  99  13.53 +/- 7.75   6.220% *  0.0254% (0.08   0.02   0.02) =   0.003%
          HN    SER   37 - HG3   LYS+  99  14.36 +/- 7.13   3.907% *  0.0119% (0.04   0.02   0.02) =   0.001%
          HN    ILE   89 - HG3   LYS+  38  24.38 +/- 4.52   0.678% *  0.0677% (0.22   0.02   0.02) =   0.001%
          HN    ARG+  54 - HG3   LYS+  38  29.39 +/- 4.29   0.292% *  0.1037% (0.34   0.02   0.02) =   0.001%
          HN    ILE   89 - HG3   LYS+  99  19.99 +/- 2.28   0.746% *  0.0071% (0.02   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  99  26.74 +/- 3.15   0.326% *  0.0108% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.39 A, kept.
 
    Peak 2533 (7.75, 4.27, 62.55 ppm):
    12 chemical-shift based assignments, quality = 0.958, support = 3.75, residual support = 36.7:
      O   HN    THR   39 - HA    THR   39   2.87 +/- 0.03  72.556% * 94.9459% (0.97  10.0   3.75  36.84) =  99.063%  kept
          HN    LYS+ 102 - HA    ILE  103   5.02 +/- 0.29  13.910% *  4.6316% (0.24   1.0   3.92  23.23) =   0.926%  kept
          HN    GLU-  36 - HA    THR   39   8.26 +/- 0.91   4.547% *  0.0882% (0.90   1.0   0.02   1.06) =   0.006%
          HD1   TRP   87 - HA    THR   39  19.60 +/- 5.12   1.150% *  0.0964% (0.98   1.0   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HA    THR   39  15.22 +/- 7.60   1.341% *  0.0714% (0.73   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HA    ILE  103  16.96 +/- 4.38   3.240% *  0.0134% (0.14   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HA    ILE  103  14.02 +/- 3.03   0.922% *  0.0319% (0.32   1.0   0.02   0.43) =   0.000%
          HN    THR   39 - HA    ILE  103  15.25 +/- 5.64   0.833% *  0.0314% (0.32   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  15.95 +/- 2.21   0.544% *  0.0404% (0.41   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  17.47 +/- 4.93   0.456% *  0.0292% (0.30   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  23.41 +/- 3.01   0.173% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  17.59 +/- 1.18   0.329% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2534 (8.87, 4.27, 62.55 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 4.34, residual support = 24.7:
      O   HN    LEU   40 - HA    THR   39   2.27 +/- 0.11  92.914% * 99.8247% (0.57  10.0   4.34  24.68) =  99.996%  kept
          HN    GLY  101 - HA    ILE  103   6.25 +/- 0.53   4.807% *  0.0353% (0.20   1.0   0.02   0.02) =   0.002%
          HN    GLY  101 - HA    THR   39  14.09 +/- 7.64   1.394% *  0.1069% (0.61   1.0   0.02   0.02) =   0.002%
          HN    LEU   40 - HA    ILE  103  13.82 +/- 6.03   0.885% *  0.0330% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2535 (7.75, 3.86, 70.88 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.69, residual support = 36.8:
      O   HN    THR   39 - HB    THR   39   2.89 +/- 0.53  88.651% * 99.6727% (0.97  10.0   3.69  36.84) =  99.989%  kept
          HN    GLU-  36 - HB    THR   39   7.70 +/- 1.22   7.588% *  0.0926% (0.90   1.0   0.02   1.06) =   0.008%
          HN    LYS+ 102 - HB    THR   39  15.60 +/- 6.45   1.336% *  0.0750% (0.73   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HB    THR   39  19.10 +/- 4.48   0.877% *  0.1012% (0.98   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HB    THR   39  14.67 +/- 2.81   1.310% *  0.0425% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - HB    THR   39  23.23 +/- 2.74   0.238% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2536 (8.88, 3.86, 70.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.23, residual support = 24.7:
          HN    LEU   40 - HB    THR   39   3.91 +/- 0.55  95.355% * 99.9156% (0.98   4.23  24.68) =  99.996%  kept
          HN    GLY  101 - HB    THR   39  14.39 +/- 6.47   4.645% *  0.0844% (0.18   0.02   0.02) =   0.004%
    Distance limit 3.91 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2539 (8.16, 1.26, 21.81 ppm):
    15 chemical-shift based assignments, quality = 0.578, support = 0.141, residual support = 0.131:
          HN    LEU   71 - QG2   THR   39   5.22 +/- 2.63  40.242% * 45.9103% (0.60   0.15   0.14) =  89.885%  kept
          HN    GLU- 114 - QB    ALA   91  12.13 +/- 3.53   8.919% *  4.0083% (0.40   0.02   0.02) =   1.739%  kept
          HN    THR  118 - QG2   THR   39  17.82 +/- 3.05   5.935% *  4.9027% (0.49   0.02   0.02) =   1.416%  kept
          HN    GLN  116 - QG2   THR   39  19.33 +/- 2.49   2.576% *  7.2332% (0.72   0.02   0.02) =   0.906%  kept
          HN    GLN  116 - QB    ALA   91  13.31 +/- 3.54   4.798% *  3.4157% (0.34   0.02   0.02) =   0.797%  kept
          HN    GLU- 114 - QG2   THR   39  20.98 +/- 2.40   1.915% *  8.4882% (0.85   0.02   0.02) =   0.791%  kept
          HN    LEU   71 - QG2   THR   23  14.90 +/- 2.41   4.312% *  3.3379% (0.33   0.02   0.02) =   0.700%  kept
          HN    LEU   71 - QB    ALA   91  18.44 +/- 2.71   4.346% *  2.8090% (0.28   0.02   0.02) =   0.594%  kept
          HN    PHE   60 - QG2   THR   39  15.02 +/- 2.12   4.132% *  2.9539% (0.30   0.02   0.02) =   0.594%  kept
          HN    PHE   60 - QG2   THR   23  16.83 +/- 2.77   6.162% *  1.6576% (0.17   0.02   0.02) =   0.497%  kept
          HN    GLN  116 - QG2   THR   23  21.91 +/- 3.76   2.378% *  4.0589% (0.41   0.02   0.02) =   0.470%  kept
          HN    THR  118 - QB    ALA   91  14.36 +/- 3.05   3.915% *  2.3152% (0.23   0.02   0.02) =   0.441%  kept
          HN    THR  118 - QG2   THR   23  21.20 +/- 4.29   3.220% *  2.7511% (0.28   0.02   0.02) =   0.431%  kept
          HN    PHE   60 - QB    ALA   91  13.74 +/- 2.46   5.599% *  1.3949% (0.14   0.02   0.02) =   0.380%  kept
          HN    GLU- 114 - QG2   THR   23  23.49 +/- 3.68   1.552% *  4.7631% (0.48   0.02   0.02) =   0.360%  kept
    Distance limit 3.46 A violated in 8 structures by 1.80 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2540 (8.89, 1.26, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 4.14, residual support = 24.7:
          HN    LEU   40 - QG2   THR   39   3.21 +/- 0.75  98.125% * 99.5035% (0.66   4.14  24.68) =  99.995%  kept
          HN    LEU   40 - QG2   THR   23  16.73 +/- 2.34   1.059% *  0.2696% (0.37   0.02   0.02) =   0.003%
          HN    LEU   40 - QB    ALA   91  19.12 +/- 1.98   0.816% *  0.2269% (0.31   0.02   0.02) =   0.002%
    Distance limit 3.51 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2541 (7.74, 1.25, 21.56 ppm):
    24 chemical-shift based assignments, quality = 0.591, support = 3.1, residual support = 14.4:
      O   HN    ALA   91 - QB    ALA   91   2.31 +/- 0.18  48.362% * 88.4969% (0.61  10.0   3.07  12.80) =  93.326%  kept
          HN    THR   39 - QG2   THR   39   2.92 +/- 0.55  30.269% *  9.9262% (0.38   1.0   3.60  36.84) =   6.552%  kept
          HN    TRP   27 - QG2   THR   23   4.75 +/- 0.82   7.417% *  0.7064% (0.10   1.0   1.00   1.33) =   0.114%  kept
          HD1   TRP   87 - QB    ALA   91   9.18 +/- 1.09   1.054% *  0.1115% (0.76   1.0   0.02   0.02) =   0.003%
          HN    GLU-  36 - QG2   THR   39   6.83 +/- 0.96   2.317% *  0.0259% (0.18   1.0   0.02   1.06) =   0.001%
          HN    TRP   27 - QG2   THR   39  12.85 +/- 2.16   0.408% *  0.0636% (0.44   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - QB    ALA   91  10.81 +/- 1.15   0.613% *  0.0364% (0.25   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   23  15.17 +/- 4.11   5.313% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   39  16.56 +/- 3.81   0.373% *  0.0527% (0.36   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA   91  14.28 +/- 2.46   0.253% *  0.0768% (0.53   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   91  18.09 +/- 2.20   0.120% *  0.1347% (0.92   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   39  13.53 +/- 5.89   0.674% *  0.0153% (0.11   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   91  21.16 +/- 2.38   0.088% *  0.1168% (0.80   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   39  14.10 +/- 2.26   0.269% *  0.0362% (0.25   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    ALA   91  23.26 +/- 3.48   0.165% *  0.0548% (0.38   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   39  15.73 +/- 4.16   0.483% *  0.0172% (0.12   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   23  14.03 +/- 3.32   0.505% *  0.0117% (0.08   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   39  19.75 +/- 2.62   0.120% *  0.0418% (0.29   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    ALA   91  19.23 +/- 1.30   0.088% *  0.0325% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   23  15.47 +/- 2.38   0.272% *  0.0081% (0.06   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   THR   23  16.29 +/- 1.96   0.163% *  0.0123% (0.08   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   23  17.86 +/- 2.82   0.147% *  0.0093% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   23  18.69 +/- 4.27   0.363% *  0.0034% (0.02   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   23  15.69 +/- 1.28   0.162% *  0.0058% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2542 (8.47, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 0.866, support = 3.13, residual support = 9.23:
          HN    MET   92 - QB    ALA   91   3.18 +/- 0.24  75.555% * 96.5981% (0.87   3.13   9.24) =  99.885%  kept
          HN    THR   46 - QB    ALA   91   8.01 +/- 1.58   7.313% *  0.6972% (0.98   0.02   0.02) =   0.070%
          HN    LYS+ 112 - QB    ALA   91  11.14 +/- 3.80   4.136% *  0.2426% (0.34   0.02   0.02) =   0.014%
          HN    LYS+  74 - QG2   THR   39  11.17 +/- 2.28   2.639% *  0.2913% (0.41   0.02   0.02) =   0.011%
          HN    LYS+  74 - QB    ALA   91  15.23 +/- 1.36   0.814% *  0.6170% (0.87   0.02   0.02) =   0.007%
          HN    LYS+  74 - QG2   THR   23   8.76 +/- 1.09   4.295% *  0.0649% (0.09   0.02   0.02) =   0.004%
          HN    THR   46 - QG2   THR   39  16.06 +/- 2.06   0.806% *  0.3292% (0.46   0.02   0.02) =   0.004%
          HN    MET   11 - QG2   THR   39  18.11 +/- 4.37   0.724% *  0.1767% (0.25   0.02   0.02) =   0.002%
          HN    MET   92 - QG2   THR   39  20.75 +/- 2.59   0.364% *  0.2913% (0.41   0.02   0.02) =   0.001%
          HN    THR   46 - QG2   THR   23  14.31 +/- 2.59   1.093% *  0.0733% (0.10   0.02   0.02) =   0.001%
          HN    MET   11 - QB    ALA   91  31.56 +/- 5.16   0.212% *  0.3742% (0.53   0.02   0.02) =   0.001%
          HN    MET   11 - QG2   THR   23  20.00 +/- 4.35   1.044% *  0.0393% (0.06   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QG2   THR   39  21.92 +/- 2.31   0.291% *  0.1146% (0.16   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   23  18.62 +/- 2.38   0.473% *  0.0649% (0.09   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   23  23.40 +/- 3.34   0.240% *  0.0255% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2543 (4.39, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.644, support = 5.38, residual support = 87.1:
          HA    LEU   40 - QD2   LEU   40   2.52 +/- 0.57  62.180% * 63.2767% (0.61   6.07 106.44) =  80.339%  kept
          HA    LYS+  99 - QD2   LEU   40   7.47 +/- 6.52  27.311% * 35.1503% (0.80   2.56   8.09) =  19.602%  kept
          HA    ASN   35 - QD2   LEU   40   8.49 +/- 1.39   6.165% *  0.3171% (0.92   0.02   0.02) =   0.040%
          HA    LEU  123 - QD2   LEU   40  15.52 +/- 5.01   0.981% *  0.3405% (0.99   0.02   0.02) =   0.007%
          HA    PRO   58 - QD2   LEU   40  13.56 +/- 3.16   1.394% *  0.1540% (0.45   0.02   0.02) =   0.004%
          HA    ILE   56 - QD2   LEU   40  15.73 +/- 3.15   0.407% *  0.3249% (0.95   0.02   0.02) =   0.003%
          HA    GLU-  15 - QD2   LEU   40  12.91 +/- 3.28   0.888% *  0.1412% (0.41   0.02   0.02) =   0.003%
          HA    ASP- 113 - QD2   LEU   40  17.05 +/- 2.47   0.402% *  0.1540% (0.45   0.02   0.02) =   0.001%
          HA    SER   13 - QD2   LEU   40  17.80 +/- 3.47   0.272% *  0.1412% (0.41   0.02   0.02) =   0.001%
    Distance limit 2.99 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2544 (4.40, 0.91, 26.66 ppm):
    11 chemical-shift based assignments, quality = 0.985, support = 4.59, residual support = 105.5:
          HA    LEU   40 - QD1   LEU   40   3.59 +/- 0.47  54.993% * 93.1300% (0.99   4.63 106.44) =  99.032%  kept
          HA    LYS+  99 - QD1   LEU   40   9.03 +/- 5.57  16.296% *  2.0841% (0.31   0.33   8.09) =   0.657%  kept
          HA    LEU  123 - QD1   LEU   40  15.12 +/- 5.32   3.493% *  2.9001% (0.61   0.24   0.02) =   0.196%  kept
          HA    PRO   58 - QD1   LEU   40  12.57 +/- 3.11   6.793% *  0.3748% (0.92   0.02   0.02) =   0.049%
          HA    GLU-  15 - QD1   LEU   40  12.30 +/- 3.48   2.371% *  0.3641% (0.90   0.02   0.02) =   0.017%
          HA    ASN   35 - QD1   LEU   40   9.38 +/- 1.27   4.227% *  0.1820% (0.45   0.02   0.02) =   0.015%
          HA    SER   37 - QD1   LEU   40   9.93 +/- 1.29   4.045% *  0.1253% (0.31   0.02   0.71) =   0.010%
          HA    GLN   17 - QD1   LEU   40  10.63 +/- 3.49   4.038% *  0.1253% (0.31   0.02   0.02) =   0.010%
          HA    ILE   56 - QD1   LEU   40  14.97 +/- 3.14   1.824% *  0.1976% (0.49   0.02   0.02) =   0.007%
          HA    SER   13 - QD1   LEU   40  17.13 +/- 3.73   0.693% *  0.3641% (0.90   0.02   0.02) =   0.005%
          HA    THR   46 - QD1   LEU   40  13.69 +/- 1.65   1.227% *  0.1524% (0.38   0.02   0.02) =   0.004%
    Distance limit 3.81 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2545 (2.77, 0.91, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.551, support = 0.0989, residual support = 0.02:
        T HB3   HIS  122 - QD1   LEU   40  12.07 +/- 5.89  23.814% * 56.7123% (0.69 10.00   0.02   0.02) =  58.724%  kept
          QE    LYS+ 121 - QD1   LEU   40  11.55 +/- 5.28  25.374% * 33.1635% (0.34  1.00   0.24   0.02) =  36.590%  kept
          HB3   ASP-  78 - QD1   LEU   40  17.54 +/- 2.40   6.253% *  7.4044% (0.90  1.00   0.02   0.02) =   2.013%  kept
          QE    LYS+  74 - QD1   LEU   40  10.16 +/- 1.44  27.426% *  1.4459% (0.18  1.00   0.02   0.02) =   1.724%  kept
          QB    CYS   50 - QD1   LEU   40  14.67 +/- 3.12  17.132% *  1.2739% (0.15  1.00   0.02   0.02) =   0.949%  kept
    Distance limit 3.82 A violated in 14 structures by 3.56 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2546 (7.18, 0.91, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.919, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD1   LEU   40   9.70 +/- 2.80  37.648% * 27.6510% (1.00   0.02   0.02) =  41.278%  kept
          QD    PHE   59 - QD1   LEU   40  10.49 +/- 2.34  32.669% * 23.0961% (0.84   0.02   0.02) =  29.918%  kept
          HD1   TRP   27 - QD1   LEU   40  12.70 +/- 2.37  16.326% * 23.0961% (0.84   0.02   0.02) =  14.951%  kept
          HH2   TRP   49 - QD1   LEU   40  18.78 +/- 4.36  13.356% * 26.1568% (0.95   0.02   0.02) =  13.853%  kept
    Distance limit 3.85 A violated in 18 structures by 4.06 A, eliminated.
    Peak unassigned.
 
    Peak 2547 (7.18, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.917, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD2   LEU   40  10.12 +/- 2.35  37.176% * 27.6510% (1.00   0.02   0.02) =  40.852%  kept
          QD    PHE   59 - QD2   LEU   40  10.98 +/- 2.27  31.170% * 23.0961% (0.84   0.02   0.02) =  28.610%  kept
          HD1   TRP   27 - QD2   LEU   40  12.46 +/- 2.01  19.452% * 23.0961% (0.84   0.02   0.02) =  17.854%  kept
          HH2   TRP   49 - QD2   LEU   40  19.24 +/- 4.02  12.202% * 26.1568% (0.95   0.02   0.02) =  12.684%  kept
    Distance limit 3.66 A violated in 20 structures by 4.82 A, eliminated.
    Peak unassigned.
 
    Peak 2548 (9.01, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.76, residual support = 20.9:
          HN    VAL   41 - QD2   LEU   40   2.74 +/- 0.81 100.000% *100.0000% (0.73   4.76  20.92) = 100.000%  kept
    Distance limit 3.18 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2549 (9.69, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.45, residual support = 8.43:
          HN    LEU   98 - QD2   LEU   40   6.67 +/- 5.45 100.000% *100.0000% (0.97   4.45   8.43) = 100.000%  kept
    Distance limit 3.62 A violated in 8 structures by 3.30 A, kept.
 
    Peak 2550 (8.88, 1.48, 42.31 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.85, residual support = 106.4:
      O   HN    LEU   40 - HB3   LEU   40   2.79 +/- 0.45  94.300% * 99.9683% (0.98  10.0   4.85 106.44) =  99.999%  kept
          HN    GLY  101 - HB3   LEU   40  13.20 +/- 7.70   4.621% *  0.0179% (0.18   1.0   0.02   0.02) =   0.001%
          HN    LEU   40 - HB3   LEU  115  19.82 +/- 3.07   0.802% *  0.0117% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   LEU  115  22.09 +/- 2.16   0.277% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2551 (8.89, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 5.0, residual support = 106.4:
      O   HN    LEU   40 - HB2   LEU   40   2.48 +/- 0.46  97.731% * 99.9908% (0.76  10.0   5.00 106.44) = 100.000%  kept
          HN    LEU   40 - HB2   LEU   67   9.99 +/- 1.72   2.269% *  0.0092% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2552 (0.17, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.8, support = 3.99, residual support = 35.7:
          QG2   VAL   70 - HB2   LEU   40   3.81 +/- 1.12  57.922% * 99.9538% (0.80   3.99  35.70) =  99.966%  kept
          QG2   VAL   70 - HB2   LEU   67   4.57 +/- 1.08  42.078% *  0.0462% (0.07   0.02   0.02) =   0.034%
    Distance limit 3.61 A violated in 3 structures by 0.51 A, kept.
 
    Peak 2553 (0.18, 1.48, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.99, residual support = 35.7:
        T QG2   VAL   70 - HB3   LEU   40   4.26 +/- 1.02  94.326% * 99.8828% (0.98 10.00   3.99  35.70) =  99.993%  kept
        T QG2   VAL   70 - HB3   LEU  115  13.09 +/- 1.87   5.674% *  0.1172% (0.12 10.00   0.02   0.02) =   0.007%
    Distance limit 3.75 A violated in 2 structures by 0.74 A, kept.
 
    Peak 2554 (4.37, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.216, support = 5.04, residual support = 97.8:
      O T HA    LEU   40 - HG    LEU   40   3.51 +/- 0.39  39.979% * 68.0719% (0.18  10.0 10.00   5.44 106.44) =  91.602%  kept
          HA    ASP- 113 - HG    LEU  115   6.61 +/- 1.23   9.704% * 10.1249% (0.53   1.0  1.00   0.97   0.02) =   3.307%  kept
          HA    LYS+  99 - HG    LEU   40  10.34 +/- 7.54   9.669% *  7.8744% (0.98   1.0  1.00   0.41   8.09) =   2.563%  kept
          HA    ILE   56 - HG    LEU  115   6.83 +/- 1.89  11.642% *  4.7514% (0.50   1.0  1.00   0.49   0.31) =   1.862%  kept
          HA    PHE   59 - HG    LEU  115   6.97 +/- 1.02   6.762% *  1.4024% (0.20   1.0  1.00   0.37  29.56) =   0.319%  kept
        T HA    ASN   35 - HG    LEU   40  10.43 +/- 1.31   2.465% *  3.4859% (0.90   1.0 10.00   0.02   0.02) =   0.289%  kept
        T HA    ASN   35 - HG    LEU  115  24.92 +/- 3.80   0.152% *  2.0182% (0.52   1.0 10.00   0.02   0.02) =   0.010%
          HA    LEU  123 - HG    LEU   40  18.61 +/- 5.93   0.871% *  0.2970% (0.76   1.0  1.00   0.02   0.02) =   0.009%
        T HA    LEU   40 - HG    LEU  115  18.32 +/- 3.31   0.492% *  0.3941% (0.10   1.0 10.00   0.02   0.02) =   0.007%
          HA    LEU  123 - HG    LEU  115  13.47 +/- 1.33   0.859% *  0.1720% (0.44   1.0  1.00   0.02   0.02) =   0.005%
          HA    LEU   40 - HG    LEU   73  10.52 +/- 2.71   9.822% *  0.0127% (0.03   1.0  1.00   0.02   0.02) =   0.004%
          HA    ILE   56 - HG    LEU   40  18.65 +/- 3.45   0.362% *  0.3372% (0.87   1.0  1.00   0.02   0.02) =   0.004%
          HA    LYS+  99 - HG    LEU   73  13.69 +/- 3.82   1.342% *  0.0710% (0.18   1.0  1.00   0.02   0.02) =   0.003%
          HA    PHE   59 - HG    LEU   40  14.67 +/- 2.42   0.718% *  0.1326% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          HA    ASP- 113 - HG    LEU   40  20.77 +/- 3.11   0.247% *  0.3588% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HA    ILE   56 - HG    LEU   73  17.84 +/- 4.25   1.172% *  0.0629% (0.16   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASN   35 - HG    LEU   73  13.14 +/- 2.38   1.087% *  0.0650% (0.17   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HG    LEU  115  19.64 +/- 3.05   0.268% *  0.2206% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    PHE   59 - HG    LEU   73  14.58 +/- 3.56   1.802% *  0.0247% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HG    LEU   73  22.11 +/- 4.59   0.315% *  0.0669% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HG    LEU   73  21.46 +/- 4.12   0.269% *  0.0554% (0.14   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2556 (0.18, 1.46, 26.98 ppm):
    3 chemical-shift based assignments, quality = 0.963, support = 6.25, residual support = 34.9:
        T QG2   VAL   70 - HG    LEU   40   3.29 +/- 0.89  87.185% * 83.8767% (0.98 10.00   6.33  35.70) =  97.835%  kept
        T QG2   VAL   70 - HG    LEU   73   7.94 +/- 0.88  10.269% * 15.6376% (0.18 10.00   2.44   0.75) =   2.148%  kept
        T QG2   VAL   70 - HG    LEU  115  12.62 +/- 1.83   2.546% *  0.4856% (0.57 10.00   0.02   0.02) =   0.017%
    Distance limit 3.50 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2557 (0.17, 0.91, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.17, residual support = 35.7:
          QG2   VAL   70 - QD1   LEU   40   2.50 +/- 0.80 100.000% *100.0000% (0.80   4.17  35.70) = 100.000%  kept
    Distance limit 2.95 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2558 (0.20, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.44, residual support = 35.7:
          QG2   VAL   70 - QD2   LEU   40   3.38 +/- 0.92 100.000% *100.0000% (0.53   4.44  35.70) = 100.000%  kept
    Distance limit 3.27 A violated in 1 structures by 0.40 A, kept.
 
    Peak 2559 (0.66, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 0.02, residual support = 0.02:
          QG2   ILE   19 - QD2   LEU   40   9.76 +/- 1.86 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.65 A violated in 20 structures by 7.11 A, eliminated.
    Peak unassigned.
 
    Peak 2560 (1.47, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.757, support = 4.88, residual support = 106.3:
      O T HG    LEU   40 - QD2   LEU   40   2.11 +/- 0.02  57.523% * 41.1943% (0.65  10.0 10.00   4.22 106.44) =  55.566%  kept
      O   HB3   LEU   40 - QD2   LEU   40   2.65 +/- 0.41  33.106% * 57.1093% (0.90  10.0  1.00   5.70 106.44) =  44.334%  kept
        T HG    LEU   73 - QD2   LEU   40   8.89 +/- 2.31   5.343% *  0.7128% (0.20   1.0 10.00   0.11   0.02) =   0.089%
        T HG    LEU  115 - QD2   LEU   40  13.67 +/- 2.75   0.318% *  0.6354% (1.00   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   LYS+  74 - QD2   LEU   40  11.57 +/- 2.24   0.710% *  0.1771% (0.28   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   67 - QD2   LEU   40   8.59 +/- 1.77   1.366% *  0.0487% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  120 - QD2   LEU   40  12.76 +/- 3.26   0.654% *  0.0635% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - QD2   LEU   40  12.65 +/- 6.26   0.691% *  0.0177% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD2   LEU   40  13.79 +/- 2.60   0.289% *  0.0412% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2561 (1.75, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.261, support = 2.01, residual support = 8.04:
        T HB2   LYS+  99 - QD2   LEU   40   7.45 +/- 6.90  32.134% * 57.5677% (0.28 10.00   2.13   8.09) =  67.367%  kept
        T HB3   LYS+  99 - QD2   LEU   40   8.14 +/- 6.66  21.225% * 41.3632% (0.22 10.00   1.79   8.09) =  31.971%  kept
          HB    VAL   43 - QD2   LEU   40   8.56 +/- 1.35  19.481% *  0.8477% (0.38  1.00   0.22   0.02) =   0.601%  kept
          QD    LYS+  81 - QD2   LEU   40  17.60 +/- 3.94  10.760% *  0.0639% (0.31  1.00   0.02   0.02) =   0.025%
          HB    ILE   89 - QD2   LEU   40  14.18 +/- 2.51   4.943% *  0.1256% (0.61  1.00   0.02   0.02) =   0.023%
          QG1   ILE   56 - QD2   LEU   40  12.40 +/- 2.66  11.458% *  0.0319% (0.15  1.00   0.02   0.02) =   0.013%
    Distance limit 3.09 A violated in 8 structures by 2.15 A, kept.
 
    Peak 2562 (3.47, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.384, support = 0.02, residual support = 0.02:
          HB2   HIS  122 - QD2   LEU   40  12.64 +/- 5.89  32.734% * 19.5836% (0.31   0.02   0.02) =  32.166%  kept
          HB2   HIS   22 - QD2   LEU   40  16.53 +/- 3.04  13.842% * 33.3822% (0.53   0.02   0.02) =  23.185%  kept
          HA    LEU   63 - QD2   LEU   40   9.81 +/- 1.19  41.488% * 11.1120% (0.18   0.02   0.02) =  23.132%  kept
          HA    LYS+ 112 - QD2   LEU   40  15.65 +/- 2.08  11.937% * 35.9222% (0.57   0.02   0.02) =  21.516%  kept
    Distance limit 3.62 A violated in 18 structures by 4.82 A, eliminated.
    Peak unassigned.
 
    Peak 2563 (3.02, 0.98, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.72, support = 2.59, residual support = 7.08:
          QE    LYS+  99 - QD2   LEU   40   7.22 +/- 6.53  52.650% * 79.5495% (0.69   2.93   8.09) =  86.101%  kept
          QE    LYS+  38 - QD2   LEU   40   7.25 +/- 2.25  33.848% * 19.6588% (0.92   0.54   0.83) =  13.679%  kept
          QE    LYS+ 102 - QD2   LEU   40  12.04 +/- 5.28  13.502% *  0.7917% (1.00   0.02   0.02) =   0.220%  kept
    Distance limit 4.05 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2564 (2.37, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.842, support = 0.754, residual support = 0.685:
        T HB3   PHE   97 - QD2   LEU   40   7.55 +/- 4.98  35.637% * 87.6354% (0.84 10.00   0.75   0.72) =  94.372%  kept
          HB2   GLU- 100 - QD2   LEU   40  11.06 +/- 6.68  15.279% * 11.7185% (0.99  1.00   0.85   0.02) =   5.410%  kept
          QG    GLU-  79 - QD2   LEU   40  14.98 +/- 2.94  12.006% *  0.1810% (0.65  1.00   0.02   0.02) =   0.066%
          HB2   GLN  116 - QD2   LEU   40  15.76 +/- 2.65   8.100% *  0.2647% (0.95  1.00   0.02   0.02) =   0.065%
          QG    GLN   32 - QD2   LEU   40  11.40 +/- 1.42  17.160% *  0.0954% (0.34  1.00   0.02   0.02) =   0.049%
          HB2   PRO   58 - QD2   LEU   40  14.71 +/- 3.09  11.819% *  0.1050% (0.38  1.00   0.02   0.02) =   0.038%
    Distance limit 4.32 A violated in 9 structures by 3.25 A, kept.
 
    Peak 2565 (1.95, 0.91, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.38, residual support = 106.4:
      O T HB2   LEU   40 - QD1   LEU   40   2.54 +/- 0.45  82.182% * 99.2435% (0.84  10.0 10.00   4.39 106.44) =  99.950%  kept
        T HB2   LEU   67 - QD1   LEU   40   6.87 +/- 1.58   6.506% *  0.4885% (0.41   1.0 10.00   0.02   0.02) =   0.039%
          HB    VAL   18 - QD1   LEU   40   9.78 +/- 3.29   7.322% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.007%
          HB3   ARG+  54 - QD1   LEU   40  17.15 +/- 4.62   1.668% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HB3   MET   96 - QD1   LEU   40  10.69 +/- 2.48   1.544% *  0.0533% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - QD1   LEU   40  15.33 +/- 3.79   0.778% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2566 (1.96, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.342, support = 5.42, residual support = 106.2:
      O   HB2   LEU   40 - QD2   LEU   40   2.83 +/- 0.42  85.029% * 96.6350% (0.34  10.0  1.00   5.44 106.44) =  99.772%  kept
        T HB2   LEU   67 - QD2   LEU   40   8.07 +/- 1.94   6.580% *  2.5407% (0.90   1.0 10.00   0.02   0.02) =   0.203%  kept
          HB    VAL   18 - QD2   LEU   40  10.76 +/- 3.23   5.205% *  0.2833% (1.00   1.0  1.00   0.02   0.02) =   0.018%
          HB3   ARG+  54 - QD2   LEU   40  18.10 +/- 4.52   0.920% *  0.2541% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HG3   PRO   58 - QD2   LEU   40  16.15 +/- 3.11   1.255% *  0.1379% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU  115 - QD2   LEU   40  14.07 +/- 2.32   1.011% *  0.1490% (0.53   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2567 (1.47, 0.91, 26.66 ppm):
    9 chemical-shift based assignments, quality = 0.763, support = 4.53, residual support = 106.4:
      O   HG    LEU   40 - QD1   LEU   40   2.11 +/- 0.02  52.954% * 41.4524% (0.65  10.0  1.00   4.41 106.44) =  53.244%  kept
      O T HB3   LEU   40 - QD1   LEU   40   2.57 +/- 0.44  33.521% * 57.4671% (0.90  10.0 10.00   4.68 106.44) =  46.726%  kept
        T HG    LEU   67 - QD1   LEU   40   7.49 +/- 1.31   1.918% *  0.4897% (0.76   1.0 10.00   0.02   0.02) =   0.023%
        T HB3   LEU  115 - QD1   LEU   40  13.66 +/- 2.60   0.301% *  0.4145% (0.65   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   73 - QD1   LEU   40   8.46 +/- 2.61   8.970% *  0.0127% (0.20   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA  120 - QD1   LEU   40  12.77 +/- 3.45   0.533% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  115 - QD1   LEU   40  13.43 +/- 2.89   0.372% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QD1   LEU   40  10.69 +/- 2.41   1.097% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   40  14.21 +/- 5.19   0.336% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2568 (0.91, 1.94, 42.31 ppm):
    6 chemical-shift based assignments, quality = 0.945, support = 4.38, residual support = 103.7:
      O T QD1   LEU   40 - HB2   LEU   40   2.54 +/- 0.45  52.215% * 92.1745% (1.00  10.0 10.00   4.39 106.44) =  93.996%  kept
      O   QD2   LEU   67 - HB2   LEU   67   2.83 +/- 0.42  40.272% *  7.6201% (0.08  10.0  1.00   4.26  60.78) =   5.993%  kept
        T QD1   LEU   40 - HB2   LEU   67   6.87 +/- 1.58   3.913% *  0.0850% (0.09   1.0 10.00   0.02   0.02) =   0.006%
          QD2   LEU   67 - HB2   LEU   40   7.91 +/- 1.50   2.710% *  0.0827% (0.90   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL  108 - HB2   LEU   40  18.26 +/- 1.79   0.167% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   67  18.54 +/- 3.41   0.722% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2569 (0.91, 1.48, 42.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.68, residual support = 106.4:
      O T QD1   LEU   40 - HB3   LEU   40   2.57 +/- 0.44  88.422% * 99.7412% (1.00  10.0 10.00   4.68 106.44) =  99.994%  kept
          QD2   LEU   67 - HB3   LEU   40   8.41 +/- 1.80   4.058% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.004%
        T QD1   LEU   40 - HB3   LEU  115  13.66 +/- 2.60   1.054% *  0.1170% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HB3   LEU  115   9.48 +/- 2.16   5.229% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU   40  17.96 +/- 1.78   0.357% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB3   LEU  115  14.24 +/- 2.38   0.880% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2570 (0.99, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.864, support = 4.21, residual support = 105.9:
      O T QD2   LEU   40 - HG    LEU   40   2.11 +/- 0.02  63.094% * 88.9079% (0.87  10.0 10.00   4.22 106.44) =  99.519%  kept
          QD1   ILE  119 - HG    LEU  115   4.27 +/- 1.03  12.175% *  1.1880% (0.10   1.0  1.00   2.29   7.75) =   0.257%  kept
        T QD1   LEU   67 - HG    LEU   73   8.51 +/- 1.54   1.316% *  6.5374% (0.16   1.0 10.00   0.82   0.02) =   0.153%  kept
        T QD1   LEU   67 - HG    LEU   40   7.04 +/- 1.48   2.547% *  0.8561% (0.84   1.0 10.00   0.02   0.02) =   0.039%
        T QD2   LEU   40 - HG    LEU   73   8.89 +/- 2.31   4.906% *  0.1658% (0.16   1.0 10.00   0.02   0.02) =   0.014%
        T HG3   LYS+  74 - HG    LEU   40  14.69 +/- 2.69   0.353% *  0.6217% (0.61   1.0 10.00   0.02   0.02) =   0.004%
        T QD1   LEU   67 - HG    LEU  115  12.41 +/- 1.86   0.430% *  0.4957% (0.48   1.0 10.00   0.02   0.02) =   0.004%
        T QD2   LEU   40 - HG    LEU  115  13.67 +/- 2.75   0.352% *  0.5147% (0.50   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  74 - HG    LEU  115  15.07 +/- 3.62   0.293% *  0.3599% (0.35   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   71 - HG    LEU   40   7.11 +/- 2.11   5.182% *  0.0180% (0.18   1.0  1.00   0.02   1.45) =   0.002%
          QG2   ILE  103 - HG    LEU   40  11.18 +/- 4.51   0.885% *  0.0744% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HG    LEU   40  11.65 +/- 1.81   0.580% *  0.0889% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HG    LEU   73   7.81 +/- 1.14   1.614% *  0.0166% (0.16   1.0  1.00   0.02   1.47) =   0.000%
          QG2   ILE  103 - HG    LEU   73  12.65 +/- 3.42   1.502% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU  115  14.00 +/- 2.79   0.324% *  0.0515% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU  115  13.15 +/- 2.36   0.319% *  0.0431% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG    LEU   73   8.74 +/- 0.82   1.005% *  0.0116% (0.11   1.0  1.00   0.02  42.48) =   0.000%
          QD1   ILE  119 - HG    LEU   40  13.56 +/- 2.89   0.373% *  0.0180% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU   73   7.74 +/- 1.19   1.621% *  0.0033% (0.03   1.0  1.00   0.02   1.76) =   0.000%
          QD1   ILE  119 - HG    LEU   73  14.16 +/- 3.51   0.889% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU  115  15.91 +/- 2.50   0.241% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2571 (0.56, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.866, support = 3.99, residual support = 76.2:
      O T QG2   VAL   41 - QG1   VAL   41   2.07 +/- 0.06  55.070% * 95.9667% (0.87  10.0 10.00   4.01  76.54) =  99.455%  kept
          QD2   LEU   98 - QG1   VAL   41   6.21 +/- 4.19  14.483% *  1.5527% (0.69   1.0  1.00   0.41  20.04) =   0.423%  kept
        T QD1   LEU   73 - QG1   VAL   41   6.46 +/- 2.39   7.192% *  0.3415% (0.31   1.0 10.00   0.02   0.02) =   0.046%
        T QG2   VAL   41 - QG2   VAL   18   8.61 +/- 1.99   2.340% *  0.7334% (0.66   1.0 10.00   0.02   0.02) =   0.032%
        T QD1   LEU   73 - QG2   VAL   18   6.90 +/- 1.71   2.893% *  0.2610% (0.24   1.0 10.00   0.02   0.75) =   0.014%
        T QD1   LEU   63 - QG2   VAL   18   7.49 +/- 1.87   1.691% *  0.2610% (0.24   1.0 10.00   0.02   0.02) =   0.008%
        T QD1   LEU   63 - QG1   VAL   41   9.07 +/- 1.63   0.926% *  0.3415% (0.31   1.0 10.00   0.02   0.02) =   0.006%
        T QG2   VAL   41 - QD2   LEU  104   7.78 +/- 3.50   3.313% *  0.0515% (0.05   1.0 10.00   0.02   0.02) =   0.003%
        T QD2   LEU   98 - QD2   LEU  104   5.63 +/- 0.83   3.460% *  0.0408% (0.04   1.0 10.00   0.02  11.02) =   0.003%
          QD1   LEU   80 - QG1   VAL   41  12.08 +/- 4.50   1.777% *  0.0760% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   63 - QG2   VAL   18   7.42 +/- 1.99   1.687% *  0.0758% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - QG1   VAL   41   9.01 +/- 1.64   0.900% *  0.0992% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   98 - QG2   VAL   18  11.10 +/- 2.56   0.736% *  0.0581% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   80 - QG2   VAL   18  11.45 +/- 2.60   0.486% *  0.0581% (0.52   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - QD2   LEU  104  10.85 +/- 2.91   1.186% *  0.0183% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104  10.71 +/- 2.37   0.662% *  0.0183% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QD2   LEU  104  15.34 +/- 3.54   0.225% *  0.0408% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU  104  10.67 +/- 2.79   0.975% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2572 (1.30, 0.55, 21.65 ppm):
    6 chemical-shift based assignments, quality = 0.252, support = 1.27, residual support = 6.46:
          QB    ALA   34 - QG2   VAL   41   3.95 +/- 1.54  53.847% * 41.9120% (0.18   1.52   8.31) =  77.690%  kept
          QB    ALA   88 - QG2   VAL   41  11.87 +/- 2.44  10.950% * 42.1208% (0.61   0.44   0.02) =  15.877%  kept
          HG2   LYS+  99 - QG2   VAL   41   9.37 +/- 5.00  13.718% * 10.6918% (0.20   0.34   0.02) =   5.049%  kept
          QG2   THR   77 - QG2   VAL   41  10.41 +/- 1.63   8.064% *  2.9840% (0.95   0.02   0.02) =   0.828%  kept
          QG2   THR   23 - QG2   VAL   41  11.38 +/- 2.60   8.131% *  1.4142% (0.45   0.02   0.02) =   0.396%  kept
          HG2   LYS+  38 - QG2   VAL   41   9.15 +/- 1.30   5.291% *  0.8771% (0.28   0.02   0.02) =   0.160%  kept
    Distance limit 3.26 A violated in 4 structures by 0.72 A, kept.
 
    Peak 2573 (1.42, 0.55, 21.65 ppm):
    13 chemical-shift based assignments, quality = 0.344, support = 2.31, residual support = 19.8:
        T QB    LEU   98 - QG2   VAL   41   5.74 +/- 3.88  28.181% * 95.0610% (0.34 10.00   2.33  20.04) =  98.931%  kept
        T HB2   LEU   80 - QG2   VAL   41  12.45 +/- 3.96   6.627% *  2.2315% (0.80 10.00   0.02   0.02) =   0.546%  kept
          HB3   LYS+  74 - QG2   VAL   41   9.85 +/- 2.32   4.158% *  0.9561% (0.61  1.00   0.11   0.02) =   0.147%  kept
          HG12  ILE   19 - QG2   VAL   41   8.53 +/- 3.47  13.564% *  0.2781% (1.00  1.00   0.02   0.02) =   0.139%  kept
          HG    LEU   73 - QG2   VAL   41   6.78 +/- 2.90  20.411% *  0.0860% (0.31  1.00   0.02   0.02) =   0.065%
          HB3   LEU   67 - QG2   VAL   41   9.95 +/- 1.66   7.450% *  0.1914% (0.69  1.00   0.02   0.02) =   0.053%
          QB    ALA   61 - QG2   VAL   41  10.32 +/- 2.04   3.845% *  0.2328% (0.84  1.00   0.02   0.02) =   0.033%
          HG    LEU   80 - QG2   VAL   41  12.96 +/- 4.48   3.303% *  0.2689% (0.97  1.00   0.02   0.02) =   0.033%
          QB    ALA  110 - QG2   VAL   41  14.45 +/- 1.79   1.388% *  0.2732% (0.98  1.00   0.02   0.02) =   0.014%
          HG2   LYS+ 102 - QG2   VAL   41  11.66 +/- 5.17   5.754% *  0.0620% (0.22  1.00   0.02   0.02) =   0.013%
          HD3   LYS+ 121 - QG2   VAL   41  14.62 +/- 4.64   1.839% *  0.1803% (0.65  1.00   0.02   0.02) =   0.012%
          QG    LYS+  66 - QG2   VAL   41  12.70 +/- 1.31   2.377% *  0.1356% (0.49  1.00   0.02   0.02) =   0.012%
          QB    ALA   12 - QG2   VAL   41  14.63 +/- 2.76   1.102% *  0.0430% (0.15  1.00   0.02   0.02) =   0.002%
    Distance limit 3.18 A violated in 6 structures by 1.12 A, kept.
 
    Peak 2574 (8.98, 0.55, 21.65 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.02, residual support = 0.02:
          HN    LYS+ 106 - QG2   VAL   41  11.87 +/- 3.07 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.06 A violated in 20 structures by 8.82 A, eliminated.
    Peak unassigned.
 
    Peak 2575 (9.01, 1.84, 34.57 ppm):
    1 chemical-shift based assignment, quality = 0.472, support = 4.67, residual support = 76.5:
      O   HN    VAL   41 - HB    VAL   41   3.33 +/- 0.44 100.000% *100.0000% (0.47  10.0   4.67  76.54) = 100.000%  kept
    Distance limit 3.51 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2577 (9.70, 0.76, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.925, support = 2.55, residual support = 19.5:
          HN    LEU   98 - QG1   VAL   41   7.35 +/- 4.40  33.426% * 95.7752% (0.98   2.60  20.04) =  93.868%  kept
          HN    LEU   98 - QD2   LEU  104   4.46 +/- 0.93  55.404% *  3.6611% (0.05   1.85  11.02) =   5.947%  kept
          HN    LEU   98 - QG2   VAL   18  12.25 +/- 3.35  11.169% *  0.5637% (0.75   0.02   0.02) =   0.185%  kept
    Distance limit 3.81 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2578 (7.28, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.575, support = 0.02, residual support = 0.02:
          QD    PHE   60 - HB    VAL   41  10.56 +/- 1.91  41.506% * 34.1212% (0.66   0.02   0.02) =  52.326%  kept
          HN    LYS+  66 - HB    VAL   41  13.88 +/- 1.89  21.823% * 29.5320% (0.57   0.02   0.02) =  23.812%  kept
          HN    LYS+  81 - HB    VAL   41  18.13 +/- 4.68  16.651% * 24.2865% (0.47   0.02   0.02) =  14.941%  kept
          QE    PHE   59 - HB    VAL   41  14.39 +/- 2.22  20.021% * 12.0603% (0.23   0.02   0.02) =   8.921%  kept
    Distance limit 3.75 A violated in 19 structures by 5.66 A, eliminated.
    Peak unassigned.
 
    Peak 2579 (8.94, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 5.29, residual support = 29.4:
      O   HN    VAL   42 - HA    VAL   41   2.28 +/- 0.08  84.723% * 99.1929% (0.98  10.0   5.30  29.45) =  99.897%  kept
          HN    LEU   73 - HA    VAL   41   6.33 +/- 2.13  11.854% *  0.7145% (0.98   1.0   0.14   0.02) =   0.101%  kept
          HN    ILE   19 - HA    VAL   41   9.34 +/- 3.39   2.961% *  0.0614% (0.61   1.0   0.02   0.02) =   0.002%
          HN    LYS+ 106 - HA    VAL   41  14.41 +/- 3.44   0.462% *  0.0312% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2580 (9.17, 4.44, 60.39 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.04, residual support = 39.7:
      O   HN    VAL   43 - HA    VAL   42   2.24 +/- 0.06  99.783% * 99.9765% (0.90  10.0   5.04  39.68) = 100.000%  kept
          HN    VAL   43 - HA    PHE   55  18.34 +/- 2.30   0.217% *  0.0235% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2581 (0.28, 0.55, 21.65 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2582 (0.09, 0.55, 21.65 ppm):
    3 chemical-shift based assignments, quality = 0.718, support = 0.02, residual support = 0.02:
          QD1   ILE   89 - QG2   VAL   41   8.48 +/- 1.99  22.993% * 46.1912% (0.98   0.02   0.02) =  38.703%  kept
          QD2   LEU   31 - QG2   VAL   41   4.49 +/- 2.35  56.494% * 16.0745% (0.34   0.02   0.02) =  33.092%  kept
          QG2   VAL   83 - QG2   VAL   41   9.15 +/- 3.24  20.513% * 37.7342% (0.80   0.02   0.02) =  28.206%  kept
    Distance limit 3.04 A violated in 7 structures by 1.13 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2583 (1.82, 1.39, 32.90 ppm):
    18 chemical-shift based assignments, quality = 0.832, support = 4.11, residual support = 29.2:
        T HB    VAL   41 - HB    VAL   42   5.39 +/- 0.49  26.427% * 96.2631% (0.84 10.00   4.14  29.45) =  99.033%  kept
          HB2   LEU   71 - HB    VAL   42   8.37 +/- 2.79  16.866% *  1.1618% (0.42  1.00   0.48   0.84) =   0.763%  kept
        T QB    LYS+ 102 - HB    VAL   42  13.77 +/- 4.10   2.225% *  0.6453% (0.56 10.00   0.02   0.02) =   0.056%
          HG2   PRO   93 - HB2   LYS+ 112   9.60 +/- 4.13  12.302% *  0.0611% (0.53  1.00   0.02   0.02) =   0.029%
          HG12  ILE  103 - HB    VAL   42  11.02 +/- 3.98   8.129% *  0.0865% (0.75  1.00   0.02   0.02) =   0.027%
          HB3   PRO   52 - HB2   LYS+ 112   9.75 +/- 3.73  11.010% *  0.0427% (0.37  1.00   0.02   0.02) =   0.018%
          QB    LYS+  66 - HB    VAL   42  10.67 +/- 2.23   4.449% *  0.0995% (0.87  1.00   0.02   0.02) =   0.017%
        T HB    VAL   41 - HB2   LYS+ 112  21.32 +/- 2.47   0.449% *  0.6794% (0.59 10.00   0.02   0.02) =   0.012%
          QB    LYS+  65 - HB    VAL   42  10.48 +/- 1.82   5.698% *  0.0525% (0.46  1.00   0.02   0.02) =   0.012%
          HG2   PRO   93 - HB    VAL   42  14.98 +/- 2.61   2.216% *  0.0865% (0.75  1.00   0.02   0.02) =   0.007%
        T QB    LYS+ 102 - HB2   LYS+ 112  22.46 +/- 1.26   0.346% *  0.4554% (0.40 10.00   0.02   0.02) =   0.006%
          QB    LYS+  66 - HB2   LYS+ 112  15.31 +/- 3.09   1.898% *  0.0702% (0.61  1.00   0.02   0.02) =   0.005%
          HG    LEU  123 - HB2   LYS+ 112  13.31 +/- 1.63   2.131% *  0.0427% (0.37  1.00   0.02   0.02) =   0.004%
          HG    LEU  123 - HB    VAL   42  16.78 +/- 3.43   1.286% *  0.0605% (0.53  1.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - HB2   LYS+ 112  22.97 +/- 5.15   1.963% *  0.0343% (0.30  1.00   0.02   0.02) =   0.003%
          QB    LYS+  65 - HB2   LYS+ 112  14.70 +/- 2.28   1.561% *  0.0370% (0.32  1.00   0.02   0.02) =   0.002%
          HB3   PRO   52 - HB    VAL   42  19.40 +/- 2.50   0.594% *  0.0605% (0.53  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HB2   LYS+ 112  20.77 +/- 1.59   0.450% *  0.0611% (0.53  1.00   0.02   0.02) =   0.001%
    Distance limit 3.33 A violated in 16 structures by 1.62 A, eliminated.
    Peak unassigned.
 
    Peak 2584 (8.96, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.641, support = 5.2, residual support = 86.4:
          HN    VAL   42 - QG2   VAL   42   2.91 +/- 0.63  78.074% * 80.1407% (0.64   5.36  89.91) =  96.087%  kept
          HN    LEU   73 - QG2   VAL   42   6.30 +/- 1.66  12.980% * 19.4951% (0.64   1.30   0.49) =   3.886%  kept
          HN    LYS+ 106 - QG2   VAL   42   9.51 +/- 2.83   5.145% *  0.2988% (0.64   0.02   0.02) =   0.024%
          HN    ILE   19 - QG2   VAL   42   9.68 +/- 2.48   3.800% *  0.0654% (0.14   0.02   0.02) =   0.004%
    Distance limit 3.38 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2585 (9.17, 0.15, 20.83 ppm):
    1 chemical-shift based assignment, quality = 0.718, support = 5.13, residual support = 39.7:
          HN    VAL   43 - QG2   VAL   42   3.69 +/- 0.45 100.000% *100.0000% (0.72   5.13  39.68) = 100.000%  kept
    Distance limit 3.92 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2586 (4.44, 0.37, 21.48 ppm):
    14 chemical-shift based assignments, quality = 0.955, support = 3.97, residual support = 88.5:
      O T HA    VAL   42 - QG1   VAL   42   2.55 +/- 0.30  65.990% * 91.4882% (0.97  10.0 10.00   4.00  89.91) =  98.194%  kept
          HA    THR   46 - QB    ALA   47   3.91 +/- 0.12  19.909% *  5.4594% (0.44   1.0  1.00   2.63  11.60) =   1.768%  kept
        T HA    GLN   17 - QG1   VAL   42  11.73 +/- 2.99   1.116% *  0.5549% (0.59   1.0 10.00   0.02   0.02) =   0.010%
        T HA    VAL   42 - QB    ALA   47  13.93 +/- 1.65   0.612% *  0.7901% (0.83   1.0 10.00   0.02   0.02) =   0.008%
        T HA    PHE   55 - QB    ALA   47  10.82 +/- 1.21   1.020% *  0.4473% (0.47   1.0 10.00   0.02   0.02) =   0.007%
        T HA    PHE   55 - QG1   VAL   42  13.66 +/- 2.17   0.687% *  0.5180% (0.55   1.0 10.00   0.02   0.02) =   0.006%
          HA    GLN   90 - QB    ALA   47   8.29 +/- 2.09   4.073% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLN   17 - QB    ALA   47  19.33 +/- 3.73   0.224% *  0.4792% (0.51   1.0 10.00   0.02   0.02) =   0.002%
          HA    THR   46 - QG1   VAL   42   9.30 +/- 0.88   1.775% *  0.0481% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - QB    ALA   47  10.29 +/- 2.58   2.177% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   90 - QG1   VAL   42  12.49 +/- 1.71   0.782% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG1   VAL   42  11.89 +/- 2.17   1.054% *  0.0254% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG1   VAL   42  13.97 +/- 1.05   0.453% *  0.0555% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   47  24.02 +/- 3.24   0.129% *  0.0479% (0.51   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2587 (7.28, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.914, support = 1.88, residual support = 5.4:
          QD    PHE   60 - QG1   VAL   42   4.96 +/- 1.66  40.745% * 90.0931% (0.93   1.93   5.57) =  96.861%  kept
          QE    PHE   59 - QG1   VAL   42   7.76 +/- 2.19  14.551% *  6.0814% (0.33   0.37   0.02) =   2.335%  kept
          HN    LYS+  66 - QG1   VAL   42   8.85 +/- 1.96  17.044% *  0.8060% (0.81   0.02   0.02) =   0.362%  kept
          QD    PHE   60 - QB    ALA   47  10.04 +/- 1.81   9.019% *  0.8042% (0.80   0.02   0.02) =   0.191%  kept
          HN    LYS+  81 - QB    ALA   47  11.67 +/- 2.88   5.168% *  0.5724% (0.57   0.02   0.02) =   0.078%
          HN    LYS+  66 - QB    ALA   47  14.95 +/- 2.88   3.516% *  0.6960% (0.70   0.02   0.02) =   0.065%
          HN    LYS+  81 - QG1   VAL   42  14.26 +/- 2.45   3.335% *  0.6628% (0.66   0.02   0.02) =   0.058%
          QE    PHE   59 - QB    ALA   47  11.30 +/- 2.09   6.622% *  0.2842% (0.28   0.02   0.02) =   0.050%
    Distance limit 3.07 A violated in 8 structures by 1.44 A, kept.
 
    Peak 2588 (8.96, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.772, support = 5.16, residual support = 84.2:
          HN    VAL   42 - QG1   VAL   42   3.65 +/- 0.31  54.490% * 86.3866% (0.77   5.46  89.91) =  93.625%  kept
          HN    LEU   73 - QG1   VAL   42   5.92 +/- 2.11  25.576% * 12.3471% (0.77   0.78   0.49) =   6.281%  kept
          HN    LYS+ 106 - QG1   VAL   42   8.68 +/- 2.42   8.445% *  0.3167% (0.77   0.02   0.02) =   0.053%
          HN    LYS+ 106 - QB    ALA   47  15.15 +/- 3.49   3.810% *  0.2735% (0.67   0.02   0.02) =   0.021%
          HN    VAL   42 - QB    ALA   47  14.17 +/- 1.84   1.283% *  0.2735% (0.67   0.02   0.02) =   0.007%
          HN    ILE   19 - QG1   VAL   42   9.61 +/- 2.30   4.676% *  0.0693% (0.17   0.02   0.02) =   0.006%
          HN    LEU   73 - QB    ALA   47  14.44 +/- 1.60   1.046% *  0.2735% (0.67   0.02   0.02) =   0.006%
          HN    ILE   19 - QB    ALA   47  17.27 +/- 3.03   0.675% *  0.0598% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2589 (9.19, 0.37, 21.48 ppm):
    4 chemical-shift based assignments, quality = 0.397, support = 5.13, residual support = 39.7:
          HN    VAL   43 - QG1   VAL   42   2.66 +/- 0.35  95.055% * 99.3946% (0.40   5.13  39.68) =  99.990%  kept
          HN    VAL   24 - QG1   VAL   42  12.78 +/- 2.17   3.036% *  0.1454% (0.15   0.02   0.02) =   0.005%
          HN    VAL   43 - QB    ALA   47  12.67 +/- 1.51   1.221% *  0.3345% (0.34   0.02   0.02) =   0.004%
          HN    VAL   24 - QB    ALA   47  16.22 +/- 3.03   0.688% *  0.1255% (0.13   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2590 (9.40, 0.37, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.42, support = 0.02, residual support = 0.02:
          HN    LEU  104 - QG1   VAL   42   8.36 +/- 3.12  75.992% * 53.6601% (0.43   0.02   0.02) =  78.565%  kept
          HN    LEU  104 - QB    ALA   47  17.32 +/- 3.36  24.008% * 46.3399% (0.37   0.02   0.02) =  21.435%  kept
    Distance limit 3.83 A violated in 19 structures by 4.07 A, eliminated.
    Peak unassigned.
 
    Peak 2591 (6.65, 0.37, 21.60 ppm):
    6 chemical-shift based assignments, quality = 0.292, support = 3.73, residual support = 16.2:
          HN    TRP   49 - QB    ALA   47   2.69 +/- 0.28  90.381% * 95.0605% (0.29   3.73  16.20) =  99.895%  kept
          HD22  ASN   69 - QG1   VAL   42  10.23 +/- 2.72   4.727% *  1.0556% (0.61   0.02   0.02) =   0.058%
          HE22  GLN   30 - QG1   VAL   42   9.91 +/- 1.75   2.732% *  0.9177% (0.53   0.02   0.02) =   0.029%
          HD22  ASN   69 - QB    ALA   47  19.32 +/- 3.04   0.422% *  1.3782% (0.79   0.02   0.02) =   0.007%
          HN    TRP   49 - QG1   VAL   42  14.38 +/- 2.14   1.387% *  0.3901% (0.22   0.02   0.02) =   0.006%
          HE22  GLN   30 - QB    ALA   47  18.21 +/- 2.46   0.351% *  1.1981% (0.69   0.02   0.02) =   0.005%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2592 (7.03, 0.37, 21.60 ppm):
    4 chemical-shift based assignments, quality = 0.396, support = 2.29, residual support = 10.6:
      O   HN    ALA   47 - QB    ALA   47   2.33 +/- 0.20  75.050% * 87.1056% (0.39  10.0   2.32  10.83) =  97.850%  kept
          QD    PHE   95 - QG1   VAL   42   4.62 +/- 1.69  21.592% *  5.8730% (0.70   1.0   0.75   0.92) =   1.898%  kept
          QD    PHE   95 - QB    ALA   47   8.84 +/- 1.51   2.414% *  6.9547% (0.91   1.0   0.68   0.17) =   0.251%  kept
          HN    ALA   47 - QG1   VAL   42  11.01 +/- 1.21   0.944% *  0.0667% (0.30   1.0   0.02   0.02) =   0.001%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2593 (1.37, 0.76, 21.16 ppm):
    15 chemical-shift based assignments, quality = 0.536, support = 4.06, residual support = 31.0:
          HB    VAL   42 - QG1   VAL   43   5.79 +/- 0.64  12.020% * 65.3266% (0.62  1.00   4.56  39.68) =  65.614%  kept
          HB3   ASP-  44 - QG1   VAL   43   6.03 +/- 0.91  12.399% * 28.4079% (0.34  1.00   3.63  16.56) =  29.432%  kept
        T HB3   LEU   73 - QG1   VAL   43   7.18 +/- 2.85  13.273% *  3.1894% (0.69 10.00   0.02   2.38) =   3.537%  kept
          HG3   LYS+ 106 - QG1   VAL   43   6.68 +/- 2.62  15.426% *  0.3948% (0.85  1.00   0.02   0.02) =   0.509%  kept
          HG    LEU   98 - QG1   VAL   43   6.70 +/- 2.81  13.333% *  0.2700% (0.58  1.00   0.02   0.02) =   0.301%  kept
          QB    ALA   84 - QG1   VAL   43   7.81 +/- 2.24   8.283% *  0.3189% (0.69  1.00   0.02   0.02) =   0.221%  kept
          HB3   PRO   93 - QG1   VAL   43   9.66 +/- 1.76   4.122% *  0.3342% (0.72  1.00   0.02   0.02) =   0.115%  kept
          HB3   LEU   80 - QG1   VAL   43   9.73 +/- 3.59   8.769% *  0.0826% (0.18  1.00   0.02   0.02) =   0.061%
          HB2   LEU   63 - QG1   VAL   43   9.48 +/- 2.05   5.918% *  0.1160% (0.25  1.00   0.02   0.02) =   0.057%
          HG3   LYS+ 102 - QG1   VAL   43  12.44 +/- 3.27   1.771% *  0.3342% (0.72  1.00   0.02   0.02) =   0.049%
          HG3   LYS+  33 - QG1   VAL   43  12.12 +/- 1.74   1.530% *  0.2531% (0.54  1.00   0.02   0.02) =   0.032%
          HG3   LYS+  65 - QG1   VAL   43  12.73 +/- 1.98   1.270% *  0.2867% (0.62  1.00   0.02   0.02) =   0.030%
          HB2   LYS+ 112 - QG1   VAL   43  14.78 +/- 2.43   0.879% *  0.3620% (0.78  1.00   0.02   0.02) =   0.027%
          QB    ALA  124 - QG1   VAL   43  17.09 +/- 2.78   0.546% *  0.2196% (0.47  1.00   0.02   0.02) =   0.010%
          QB    ALA   12 - QG1   VAL   43  17.34 +/- 2.54   0.461% *  0.1041% (0.22  1.00   0.02   0.02) =   0.004%
    Distance limit 3.34 A violated in 0 structures by 0.63 A, kept.
 
    Peak 2594 (6.33, 0.76, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.267, support = 1.33, residual support = 3.4:
        T HH2   TRP   27 - QG1   VAL   43   5.52 +/- 2.81  55.479% * 46.7138% (0.31 10.00   1.05   3.40) =  52.209%  kept
        T HZ3   TRP   27 - QG1   VAL   43   5.87 +/- 2.49  44.521% * 53.2862% (0.22 10.00   1.64   3.40) =  47.791%  kept
    Distance limit 3.01 A violated in 7 structures by 1.95 A, kept.
 
    Peak 2595 (9.17, 0.76, 21.16 ppm):
    1 chemical-shift based assignment, quality = 0.804, support = 5.32, residual support = 61.0:
          HN    VAL   43 - QG1   VAL   43   2.44 +/- 0.72 100.000% *100.0000% (0.80   5.32  61.01) = 100.000%  kept
    Distance limit 3.30 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2596 (8.80, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.358, support = 3.58, residual support = 16.8:
          HN    ASP-  44 - QG2   VAL   43   3.66 +/- 0.43  44.831% * 69.0299% (0.39   3.92  16.56) =  82.001%  kept
          HN    ASN   28 - QD2   LEU   31   4.29 +/- 0.95  34.144% * 18.1131% (0.18   2.20  19.47) =  16.387%  kept
          HN    ASN   28 - QG2   VAL   43   9.41 +/- 2.78   4.769% * 11.2189% (0.63   0.39   0.02) =   1.418%  kept
          HN    ASP-  44 - QD2   LEU   31   8.90 +/- 1.81   5.825% *  0.9440% (0.11   0.19   0.02) =   0.146%  kept
          HN    GLU-  25 - QG2   VAL   43  11.11 +/- 3.18   3.052% *  0.3272% (0.36   0.02   0.02) =   0.026%
          HN    GLU-  25 - QD2   LEU   31   8.02 +/- 1.00   4.521% *  0.0939% (0.10   0.02   0.02) =   0.011%
          HN    ASN   69 - QG2   VAL   43  12.66 +/- 2.07   1.572% *  0.2121% (0.23   0.02   0.02) =   0.009%
          HN    ASN   69 - QD2   LEU   31  13.05 +/- 1.93   1.286% *  0.0609% (0.07   0.02   0.02) =   0.002%
    Distance limit 3.45 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2597 (9.17, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.866, support = 4.22, residual support = 61.0:
      O   HN    VAL   43 - HB    VAL   43   2.86 +/- 0.56 100.000% *100.0000% (0.87  10.0   4.22  61.01) = 100.000%  kept
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2598 (9.31, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.508, support = 1.5, residual support = 15.3:
          HN    MET   96 - HB    VAL   43   4.36 +/- 1.88 100.000% *100.0000% (0.51   1.50  15.29) = 100.000%  kept
    Distance limit 3.80 A violated in 2 structures by 0.86 A, kept.
 
    Peak 2599 (6.87, 1.34, 38.87 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.61, residual support = 18.8:
        T QD    PHE   45 - HB3   ASP-  44   4.69 +/- 0.23 100.000% *100.0000% (0.80 10.00   4.61  18.79) = 100.000%  kept
    Distance limit 3.89 A violated in 0 structures by 0.80 A, kept.
 
    Peak 2600 (8.78, 1.34, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.02, residual support = 39.9:
      O   HN    ASP-  44 - HB3   ASP-  44   3.38 +/- 0.40  97.637% * 99.8560% (0.98  10.0   4.02  39.89) =  99.998%  kept
          HN    GLU-  25 - HB3   ASP-  44  16.48 +/- 2.60   1.067% *  0.0983% (0.97   1.0   0.02   0.02) =   0.001%
          HN    ASN   28 - HB3   ASP-  44  15.21 +/- 2.34   1.297% *  0.0457% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.58 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2601 (4.92, 2.27, 38.87 ppm):
    2 chemical-shift based assignments, quality = 0.869, support = 1.27, residual support = 2.57:
          HA    LYS+  74 - HB2   ASP-  44   6.12 +/- 3.01  70.851% * 34.0557% (0.92  1.00   1.94   4.48) =  55.659%  kept
        T HA    MET   92 - HB2   ASP-  44  10.93 +/- 1.75  29.149% * 65.9443% (0.80 10.00   0.43   0.19) =  44.341%  kept
    Distance limit 4.03 A violated in 6 structures by 1.76 A, kept.
 
    Peak 2602 (8.78, 2.27, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.14, residual support = 39.9:
      O   HN    ASP-  44 - HB2   ASP-  44   2.84 +/- 0.44  97.464% * 99.8560% (0.98  10.0   3.14  39.89) =  99.998%  kept
          HN    GLU-  25 - HB2   ASP-  44  15.93 +/- 2.14   0.814% *  0.0983% (0.97   1.0   0.02   0.02) =   0.001%
          HN    ASN   28 - HB2   ASP-  44  14.40 +/- 2.02   1.721% *  0.0457% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2603 (8.77, 4.29, 51.33 ppm):
    4 chemical-shift based assignments, quality = 0.614, support = 3.91, residual support = 33.6:
      O   HN    ASP-  44 - HA    ASP-  44   2.88 +/- 0.06  33.603% * 81.9551% (0.80  10.0   3.85  39.89) =  70.105%  kept
      O   HN    PHE   45 - HA    ASP-  44   2.30 +/- 0.05  65.512% * 17.9245% (0.18  10.0   4.06  18.79) =  29.893%  kept
          HN    ALA  110 - HA    ASP-  44  11.63 +/- 2.17   0.648% *  0.0349% (0.34   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HA    ASP-  44  16.28 +/- 2.07   0.237% *  0.0855% (0.84   1.0   0.02   0.02) =   0.001%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2604 (5.97, 4.29, 51.33 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 2.0, residual support = 4.17:
          HA    PHE   95 - HA    ASP-  44   3.90 +/- 1.79 100.000% *100.0000% (0.87   2.00   4.17) = 100.000%  kept
    Distance limit 3.67 A violated in 3 structures by 0.76 A, kept.
 
    Peak 2605 (3.96, 3.05, 39.30 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 2.96, residual support = 27.3:
        T HB    THR   94 - HB2   PHE   45   2.88 +/- 0.60  69.496% * 98.9931% (0.65 10.00   2.96  27.35) =  99.975%  kept
          HA    GLN   32 - HB2   PHE   45  20.98 +/- 4.80  15.691% *  0.0303% (0.20  1.00   0.02   0.02) =   0.007%
          QB    SER   48 - HB2   PHE   45  10.06 +/- 1.39   3.055% *  0.1169% (0.76  1.00   0.02   0.02) =   0.005%
          QB    SER   85 - HB2   PHE   45  11.19 +/- 1.07   1.722% *  0.1477% (0.97  1.00   0.02   0.02) =   0.004%
          HA    LYS+  65 - HB2   PHE   45  15.18 +/- 3.57   1.375% *  0.1413% (0.92  1.00   0.02   0.02) =   0.003%
          QB    SER  117 - HB2   PHE   45  14.23 +/- 2.45   3.050% *  0.0382% (0.25  1.00   0.02   0.02) =   0.002%
          HA    ALA  120 - HB2   PHE   45  19.18 +/- 2.54   0.522% *  0.1448% (0.95  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB2   PHE   45  13.93 +/- 1.41   0.954% *  0.0745% (0.49  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HB2   PHE   45  11.84 +/- 2.02   1.307% *  0.0522% (0.34  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HB2   PHE   45  10.40 +/- 1.18   2.181% *  0.0268% (0.18  1.00   0.02   0.79) =   0.001%
          HA2   GLY   16 - HB2   PHE   45  22.04 +/- 4.51   0.275% *  0.1477% (0.97  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HB2   PHE   45  19.62 +/- 2.32   0.372% *  0.0866% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2606 (1.28, 3.05, 39.30 ppm):
    6 chemical-shift based assignments, quality = 0.419, support = 2.14, residual support = 8.68:
          QG2   THR   77 - HB2   PHE   45   5.41 +/- 4.52  49.968% * 74.5811% (0.45   2.19   9.64) =  89.248%  kept
          QB    ALA   88 - HB2   PHE   45   8.73 +/- 1.32  19.344% * 21.8952% (0.15   1.87   0.79) =  10.143%  kept
          QG2   ILE   56 - HB2   PHE   45   9.75 +/- 2.78  17.310% *  0.6812% (0.45   0.02   0.02) =   0.282%  kept
          QB    ALA   34 - HB2   PHE   45  14.76 +/- 2.40  10.860% *  0.9829% (0.65   0.02   0.02) =   0.256%  kept
          QG2   THR   23 - HB2   PHE   45  14.81 +/- 1.94   1.843% *  1.4372% (0.95   0.02   0.02) =   0.063%
          HG3   LYS+  38 - HB2   PHE   45  23.41 +/- 2.34   0.674% *  0.4224% (0.28   0.02   0.02) =   0.007%
    Distance limit 3.80 A violated in 4 structures by 0.67 A, kept.
 
    Peak 2607 (0.63, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 1.07, residual support = 15.7:
        T QG2   ILE   89 - HB2   PHE   45   3.68 +/- 0.75  90.465% * 99.8620% (1.00 10.00   1.08  15.70) =  99.991%  kept
          QG1   VAL   83 - HB2   PHE   45   9.61 +/- 1.86   7.487% *  0.1054% (0.57  1.00   0.02   1.31) =   0.009%
          QD1   LEU  104 - HB2   PHE   45  14.18 +/- 1.34   2.048% *  0.0326% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.76 A violated in 1 structures by 0.25 A, kept.
 
    Peak 2608 (1.31, 2.42, 39.30 ppm):
    7 chemical-shift based assignments, quality = 0.896, support = 2.39, residual support = 7.52:
          QG2   THR   77 - HB3   PHE   45   5.55 +/- 4.42  52.783% * 57.1289% (0.87   2.62   9.64) =  76.045%  kept
          QB    ALA   88 - HB3   PHE   45   8.65 +/- 1.54  22.677% * 41.7176% (0.99   1.67   0.79) =  23.858%  kept
          HB2   LEU   31 - HB3   PHE   45  17.82 +/- 3.53  12.851% *  0.1553% (0.31   0.02   0.02) =   0.050%
          HB3   LEU   80 - HB3   PHE   45  10.67 +/- 3.21   7.072% *  0.0996% (0.20   0.02   0.02) =   0.018%
          HG2   LYS+ 111 - HB3   PHE   45  14.08 +/- 2.39   2.922% *  0.1888% (0.38   0.02   0.02) =   0.014%
          HG2   LYS+  38 - HB3   PHE   45  23.39 +/- 2.10   0.807% *  0.3844% (0.76   0.02   0.02) =   0.008%
          HG2   LYS+  99 - HB3   PHE   45  19.59 +/- 1.14   0.888% *  0.3254% (0.65   0.02   0.02) =   0.007%
    Distance limit 3.49 A violated in 5 structures by 0.98 A, kept.
 
    Peak 2609 (0.64, 2.42, 39.30 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 1.16, residual support = 15.7:
        T QG2   ILE   89 - HB3   PHE   45   3.69 +/- 0.84 100.000% *100.0000% (0.69 10.00   1.16  15.70) = 100.000%  kept
    Distance limit 3.62 A violated in 0 structures by 0.38 A, kept.
 
    Peak 2610 (6.84, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.36, residual support = 79.8:
      O   QD    PHE   45 - HB2   PHE   45   2.53 +/- 0.20  98.564% * 99.6976% (0.65  10.0   4.36  79.80) =  99.999%  kept
          HE22  GLN  116 - HB2   PHE   45  17.33 +/- 3.76   0.531% *  0.1337% (0.87   1.0   0.02   0.02) =   0.001%
          HD2   HIS  122 - HB2   PHE   45  16.32 +/- 2.43   0.438% *  0.1382% (0.90   1.0   0.02   0.02) =   0.001%
          HE22  GLN   17 - HB2   PHE   45  20.91 +/- 4.23   0.467% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2611 (8.75, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.723, support = 3.62, residual support = 79.4:
      O   HN    PHE   45 - HB2   PHE   45   2.93 +/- 0.63  85.886% * 95.0115% (0.73  10.0   3.63  79.80) =  99.371%  kept
          HN    ASP-  44 - HB2   PHE   45   6.45 +/- 0.55  10.608% *  4.8351% (0.22   1.0   3.32  18.79) =   0.625%  kept
          HN    ALA  110 - HB2   PHE   45  10.66 +/- 2.34   2.821% *  0.1208% (0.92   1.0   0.02   0.02) =   0.004%
          HN    GLU-  25 - HB2   PHE   45  17.21 +/- 2.69   0.685% *  0.0326% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2612 (6.84, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.06, residual support = 79.8:
      O   QD    PHE   45 - HB3   PHE   45   2.50 +/- 0.17  98.572% * 99.6976% (0.65  10.0   5.06  79.80) =  99.998%  kept
          HE22  GLN  116 - HB3   PHE   45  17.28 +/- 3.57   0.670% *  0.1337% (0.87   1.0   0.02   0.02) =   0.001%
          HD2   HIS  122 - HB3   PHE   45  16.27 +/- 2.82   0.487% *  0.1382% (0.90   1.0   0.02   0.02) =   0.001%
          HE22  GLN   17 - HB3   PHE   45  21.10 +/- 4.08   0.272% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2613 (8.75, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.724, support = 3.95, residual support = 79.5:
      O   HN    PHE   45 - HB3   PHE   45   2.86 +/- 0.55  87.851% * 95.0120% (0.73  10.0   3.95  79.80) =  99.495%  kept
          HN    ASP-  44 - HB3   PHE   45   6.50 +/- 0.61   8.690% *  4.8346% (0.22   1.0   3.32  18.79) =   0.501%  kept
          HN    ALA  110 - HB3   PHE   45  10.48 +/- 2.11   2.893% *  0.1208% (0.92   1.0   0.02   0.02) =   0.004%
          HN    GLU-  25 - HB3   PHE   45  17.46 +/- 2.85   0.566% *  0.0326% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2614 (5.04, 0.75, 18.88 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 1.03, residual support = 3.72:
          HA    ASP-  76 - QG2   THR   46   6.63 +/- 4.36 100.000% *100.0000% (0.41   1.03   3.72) = 100.000%  kept
    Distance limit 3.40 A violated in 11 structures by 3.43 A, kept.
 
    Peak 2615 (8.48, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 3.34, residual support = 34.1:
          HN    THR   46 - QG2   THR   46   2.62 +/- 0.38  74.110% * 90.4575% (0.76   3.35  34.25) =  99.451%  kept
          HN    LYS+  74 - QG2   THR   46   9.08 +/- 2.19   3.416% *  8.0962% (1.00   0.23   0.02) =   0.410%  kept
          HN    MET   92 - QG2   THR   46   8.14 +/- 2.17  16.798% *  0.3997% (0.57   0.02   0.02) =   0.100%
          HN    LYS+ 112 - QG2   THR   46  11.55 +/- 2.98   5.585% *  0.4568% (0.65   0.02   0.02) =   0.038%
          HN    MET   11 - QG2   THR   46  26.55 +/- 3.84   0.091% *  0.5898% (0.84   0.02   0.02) =   0.001%
    Distance limit 3.08 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2616 (7.03, 0.75, 18.88 ppm):
    2 chemical-shift based assignments, quality = 0.297, support = 2.97, residual support = 10.7:
          HN    ALA   47 - QG2   THR   46   3.31 +/- 0.80  77.881% * 76.3685% (0.25   3.20  11.60) =  91.921%  kept
          QD    PHE   95 - QG2   THR   46   6.76 +/- 1.42  22.119% * 23.6315% (0.84   0.30   0.02) =   8.079%  kept
    Distance limit 3.96 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2617 (2.82, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.316, support = 0.917, residual support = 0.626:
          QB    CYS   50 - QG2   THR   46   4.73 +/- 1.79  47.925% * 81.4308% (0.31   0.99   0.68) =  92.351%  kept
          QE    LYS+  74 - QG2   THR   46   7.23 +/- 3.66  33.963% *  7.3617% (0.28   0.10   0.02) =   5.917%  kept
          HB2   PHE   72 - QG2   THR   46   9.84 +/- 1.57   9.644% *  5.3357% (1.00   0.02   0.02) =   1.218%  kept
          HA    ALA   64 - QG2   THR   46  10.38 +/- 1.85   6.351% *  2.1985% (0.41   0.02   0.02) =   0.330%  kept
          HB3   ASN   69 - QG2   THR   46  15.69 +/- 1.91   2.117% *  3.6733% (0.69   0.02   0.02) =   0.184%  kept
    Distance limit 3.60 A violated in 3 structures by 0.59 A, kept.
 
    Peak 2619 (9.46, 3.99, 61.71 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 2.61, residual support = 9.23:
      O   HN    SER   48 - HA    SER   48   2.75 +/- 0.06  98.702% * 99.9333% (0.49  10.0   2.61   9.23) = 100.000%  kept
          HN    SER   48 - HB2   SER   82  15.92 +/- 2.99   0.836% *  0.0439% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - HA    VAL   70  20.79 +/- 3.45   0.463% *  0.0228% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2620 (9.45, 3.94, 63.31 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.43, residual support = 9.23:
      O   HN    SER   48 - QB    SER   48   2.35 +/- 0.17  98.480% * 99.9496% (0.95  10.0   2.43   9.23) = 100.000%  kept
          HN    SER   48 - QB    SER  117  18.48 +/- 3.65   0.759% *  0.0260% (0.25   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - QB    SER   85  13.40 +/- 2.18   0.761% *  0.0244% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2621 (6.63, 3.69, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.926, support = 4.09, residual support = 82.7:
      O   HN    TRP   49 - HB2   TRP   49   3.47 +/- 0.36  53.707% * 97.0052% (0.95  10.0   4.10  84.63) =  97.539%  kept
          HN    CYS   50 - HB2   TRP   49   3.66 +/- 0.73  45.638% *  2.8798% (0.15   1.0   3.64   5.46) =   2.461%  kept
          HE22  GLN   30 - HB2   TRP   49  25.36 +/- 3.56   0.175% *  0.0947% (0.92   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB2   TRP   49  25.70 +/- 5.33   0.480% *  0.0203% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2622 (7.36, 3.69, 29.61 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.75, residual support = 84.6:
      O   HD1   TRP   49 - HB2   TRP   49   3.88 +/- 0.08  96.778% * 99.6923% (0.80  10.0   4.75  84.63) =  99.998%  kept
          HN    LEU   67 - HB2   TRP   49  21.03 +/- 4.47   1.442% *  0.0558% (0.45   1.0   0.02   0.02) =   0.001%
          HD2   HIS   22 - HB2   TRP   49  23.70 +/- 5.08   0.683% *  0.1149% (0.92   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB2   TRP   49  32.05 +/- 5.25   0.334% *  0.1178% (0.95   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   TRP   49  22.33 +/- 4.09   0.763% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.34 A, kept.
 
    Peak 2623 (6.63, 3.15, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.78, support = 4.1, residual support = 83.4:
      O   HN    TRP   49 - HB3   TRP   49   2.90 +/- 0.44  65.268% * 96.9913% (0.79  10.0   4.10  84.63) =  98.453%  kept
          HN    CYS   50 - HB3   TRP   49   3.86 +/- 0.65  34.367% *  2.8937% (0.13   1.0   3.66   5.46) =   1.547%  kept
          HE22  GLN   30 - HB3   TRP   49  25.21 +/- 3.48   0.145% *  0.0946% (0.77   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB3   TRP   49  25.98 +/- 5.18   0.220% *  0.0203% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2624 (7.36, 3.15, 29.61 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 4.75, residual support = 84.6:
      O   HD1   TRP   49 - HB3   TRP   49   2.91 +/- 0.16  98.584% * 99.6923% (0.67  10.0   4.75  84.63) =  99.999%  kept
          HD2   HIS   22 - HB3   TRP   49  23.51 +/- 4.99   0.306% *  0.1149% (0.77   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   49  21.37 +/- 4.49   0.588% *  0.0558% (0.37   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   TRP   49  31.85 +/- 5.05   0.157% *  0.1178% (0.79   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   TRP   49  22.03 +/- 4.14   0.365% *  0.0192% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2625 (2.64, 3.15, 29.61 ppm):
    3 chemical-shift based assignments, quality = 0.709, support = 0.02, residual support = 2.22:
          HB2   PRO   52 - HB3   TRP   49  10.15 +/- 1.07  64.567% * 45.9163% (0.72   0.02   3.06) =  72.149%  kept
          HB2   ASP-  62 - HB3   TRP   49  18.81 +/- 4.60  22.650% * 45.9163% (0.72   0.02   0.02) =  25.310%  kept
          HG2   MET   96 - HB3   TRP   49  21.17 +/- 3.81  12.783% *  8.1674% (0.13   0.02   0.02) =   2.541%  kept
    Distance limit 3.92 A violated in 20 structures by 5.77 A, eliminated.
    Peak unassigned.
 
    Peak 2626 (2.40, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.549, support = 0.02, residual support = 0.02:
          HB    VAL  107 - HB3   TRP   49  18.39 +/- 3.65  15.553% * 27.0190% (0.79   0.02   0.02) =  25.159%  kept
          HB3   PHE   45 - HB3   TRP   49  13.16 +/- 0.89  24.469% * 16.1708% (0.47   0.02   0.02) =  23.689%  kept
          QE    LYS+ 112 - HB3   TRP   49  14.67 +/- 3.17  22.344% * 16.1708% (0.47   0.02   0.02) =  21.632%  kept
          QG    GLU-  79 - HB3   TRP   49  15.56 +/- 4.29  23.511% * 13.9029% (0.41   0.02   0.02) =  19.570%  kept
          QG    GLN   32 - HB3   TRP   49  28.35 +/- 5.08   5.872% * 22.8711% (0.67   0.02   0.02) =   8.040%  kept
          HG2   GLU-  29 - HB3   TRP   49  29.53 +/- 5.79   8.251% *  3.8655% (0.11   0.02   0.02) =   1.910%  kept
    Distance limit 3.99 A violated in 19 structures by 6.38 A, eliminated.
    Peak unassigned.
 
    Peak 2627 (0.38, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.646, support = 3.6, residual support = 7.01:
          QB    ALA   47 - QB    CYS   50   3.86 +/- 0.46  74.251% * 98.8183% (0.65   3.61   7.01) =  99.892%  kept
          HG2   LYS+ 112 - QB    CYS   50  11.51 +/- 3.41  15.411% *  0.1885% (0.22   0.02   0.02) =   0.040%
          QG1   VAL   42 - QB    CYS   50  11.48 +/- 2.25   5.997% *  0.4455% (0.53   0.02   0.02) =   0.036%
          QB    ALA   64 - QB    CYS   50  11.11 +/- 1.92   4.340% *  0.5477% (0.65   0.02   0.02) =   0.032%
    Distance limit 3.63 A violated in 0 structures by 0.34 A, kept.
 
    Peak 2628 (3.83, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.988, support = 1.53, residual support = 7.32:
        T HB2   CYS   53 - QB    CYS   50   3.11 +/- 1.31  69.629% * 89.7402% (1.00 10.00   1.50   7.60) =  96.300%  kept
          HD3   PRO   52 - QB    CYS   50   5.25 +/- 0.89  24.012% *  9.9844% (0.73  1.00   2.29   0.02) =   3.695%  kept
          HD2   PRO   58 - QB    CYS   50   9.63 +/- 2.24   3.979% *  0.0584% (0.49  1.00   0.02   0.02) =   0.004%
          HA    GLN   30 - QB    CYS   50  21.52 +/- 3.89   0.732% *  0.0960% (0.80  1.00   0.02   0.02) =   0.001%
          HA    VAL   83 - QB    CYS   50  16.89 +/- 2.43   0.767% *  0.0493% (0.41  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - QB    CYS   50  17.51 +/- 2.63   0.703% *  0.0267% (0.22  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    CYS   50  24.60 +/- 3.11   0.179% *  0.0450% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2629 (6.61, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.795, support = 1.6, residual support = 7.83:
      O   HN    CYS   50 - QB    CYS   50   2.95 +/- 0.25  77.116% * 88.5120% (0.80  10.0   1.57   7.92) =  96.490%  kept
          HN    TRP   49 - QB    CYS   50   4.67 +/- 0.32  21.765% * 11.4049% (0.65   1.0   2.50   5.46) =   3.509%  kept
          HN    VAL   83 - QB    CYS   50  15.88 +/- 2.39   0.635% *  0.0480% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - QB    CYS   50  19.24 +/- 3.08   0.484% *  0.0351% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2630 (3.94, 4.27, 48.66 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 2.81, residual support = 10.2:
      O T HA2   GLY   51 - HA1   GLY   51   1.75 +/- 0.00  97.814% * 97.0144% (0.87  10.0 10.00   2.81  10.19) =  99.984%  kept
        T QB    SER   48 - HA1   GLY   51   8.82 +/- 1.20   1.156% *  1.1159% (1.00   1.0 10.00   0.02   0.02) =   0.014%
        T QB    SER  117 - HA1   GLY   51  17.32 +/- 2.68   0.137% *  0.6784% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER   85 - HA1   GLY   51  19.73 +/- 3.05   0.092% *  0.7235% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA1   GLY   51  15.38 +/- 2.26   0.189% *  0.1079% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA1   GLY   51  23.12 +/- 4.47   0.110% *  0.1032% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA1   GLY   51  21.17 +/- 3.86   0.099% *  0.1058% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA1   GLY   51  19.11 +/- 3.57   0.120% *  0.0633% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA1   GLY   51  14.69 +/- 2.39   0.256% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA1   GLY   51  29.26 +/- 5.07   0.027% *  0.0724% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2631 (3.34, 2.63, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.971, support = 3.42, residual support = 38.7:
          HB3   CYS   53 - HB2   PRO   52   6.23 +/- 0.80  16.561% * 81.8540% (0.99   4.63  55.28) =  69.594%  kept
          QB    PHE   55 - HB2   PRO   52   4.24 +/- 0.55  45.509% * 11.2070% (0.92   0.68   0.43) =  26.184%  kept
          HD2   ARG+  54 - HB2   PRO   52   7.83 +/- 1.41  13.988% *  5.4236% (0.97   0.32   1.91) =   3.895%  kept
          HD3   PRO   93 - HB2   PRO   52  10.31 +/- 4.74  13.150% *  0.3494% (0.98   0.02   0.02) =   0.236%  kept
          HB2   PHE   59 - HB2   PRO   52  11.48 +/- 1.88   2.854% *  0.2449% (0.69   0.02   0.02) =   0.036%
          HD3   PRO   68 - HB2   PRO   52  20.66 +/- 4.11   1.360% *  0.3440% (0.97   0.02   0.02) =   0.024%
          HB3   CYS   53 - HG2   MET   96  17.36 +/- 3.55   1.295% *  0.1038% (0.29   0.02   0.02) =   0.007%
          HD3   PRO   93 - HG2   MET   96  14.49 +/- 0.86   1.216% *  0.1026% (0.29   0.02   0.02) =   0.006%
          HB2   PHE   59 - HG2   MET   96  15.50 +/- 2.95   1.664% *  0.0719% (0.20   0.02   0.02) =   0.006%
          HD3   PRO   68 - HG2   MET   96  18.23 +/- 3.97   1.061% *  0.1011% (0.28   0.02   0.02) =   0.006%
          QB    PHE   55 - HG2   MET   96  17.60 +/- 1.86   0.751% *  0.0967% (0.27   0.02   0.02) =   0.004%
          HD2   ARG+  54 - HG2   MET   96  22.37 +/- 3.59   0.591% *  0.1011% (0.28   0.02   0.02) =   0.003%
    Distance limit 4.06 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2632 (3.31, 1.84, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.313, support = 2.38, residual support = 23.7:
          HB3   CYS   53 - HB3   PRO   52   6.36 +/- 0.86  15.919% * 43.8280% (0.25  1.00   4.96  55.28) =  41.752%  kept
        T HD2   ARG+  54 - HB3   PRO   52   7.84 +/- 1.46  12.384% * 38.5903% (0.20 10.00   0.55   1.91) =  28.599%  kept
          QB    PHE   55 - HB3   PRO   52   4.32 +/- 0.31  42.854% * 10.5589% (0.53  1.00   0.57   0.43) =  27.079%  kept
        T HD3   PRO   93 - HB3   PRO   52  10.24 +/- 4.37  12.857% *  2.9159% (0.41 10.00   0.02   0.02) =   2.243%  kept
        T HD3   PRO   68 - HB3   PRO   52  21.23 +/- 4.10   1.078% *  3.1799% (0.45 10.00   0.02   0.02) =   0.205%  kept
          HB2   PHE   59 - HB3   PRO   52  11.79 +/- 1.86   2.600% *  0.5679% (0.80  1.00   0.02   0.02) =   0.088%
          HD3   PRO   93 - QB    LYS+  81  12.57 +/- 3.09   6.352% *  0.0334% (0.05  1.00   0.02   0.02) =   0.013%
        T HD2   ARG+  54 - QB    LYS+  81  18.90 +/- 4.43   1.101% *  0.1610% (0.02 10.00   0.02   0.02) =   0.011%
          QB    PHE   55 - QB    LYS+  81  17.03 +/- 3.37   2.205% *  0.0428% (0.06  1.00   0.02   0.02) =   0.006%
          HB2   PHE   59 - QB    LYS+  81  18.79 +/- 2.22   0.591% *  0.0651% (0.09  1.00   0.02   0.02) =   0.002%
          HB3   CYS   53 - QB    LYS+  81  15.04 +/- 2.94   1.547% *  0.0203% (0.03  1.00   0.02   0.02) =   0.002%
          HD3   PRO   68 - QB    LYS+  81  21.46 +/- 2.83   0.512% *  0.0365% (0.05  1.00   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2633 (1.45, 2.63, 32.81 ppm):
    26 chemical-shift based assignments, quality = 0.484, support = 0.02, residual support = 0.0242:
          HB3   LEU  115 - HB2   PRO   52  11.27 +/- 3.41   6.403% *  8.3913% (0.84   0.02   0.02) =  16.273%  kept
          QB    ALA  110 - HB2   PRO   52   8.99 +/- 4.80  15.860% *  2.7932% (0.28   0.02   0.02) =  13.418%  kept
          QB    ALA   61 - HB2   PRO   52  12.40 +/- 2.22   5.714% *  4.8900% (0.49   0.02   0.02) =   8.462%  kept
          QG    LYS+  66 - HB2   PRO   52  17.15 +/- 3.86   3.149% *  8.3913% (0.84   0.02   0.02) =   8.002%  kept
          HG    LEU  115 - HB2   PRO   52  10.96 +/- 2.96   8.510% *  2.7932% (0.28   0.02   0.02) =   7.199%  kept
          HG    LEU   80 - HB2   PRO   52  22.05 +/- 6.06   5.669% *  3.1007% (0.31   0.02   0.02) =   5.324%  kept
          HG2   LYS+ 102 - HG2   MET   96  11.07 +/- 1.20   5.695% *  2.9446% (0.29   0.02   0.02) =   5.079%  kept
          HG    LEU   73 - HG2   MET   96  13.09 +/- 2.91   5.329% *  2.8481% (0.28   0.02   0.02) =   4.597%  kept
          HG    LEU   67 - HB2   PRO   52  20.19 +/- 3.98   1.883% *  7.2951% (0.73   0.02   0.02) =   4.160%  kept
          HG    LEU   40 - HG2   MET   96  12.83 +/- 4.43   5.218% *  2.4650% (0.25   0.02   0.02) =   3.896%  kept
          HG    LEU   73 - HB2   PRO   52  20.81 +/- 4.16   1.055% *  9.6953% (0.97   0.02   0.02) =   3.098%  kept
          HB3   LEU  115 - HG2   MET   96  13.73 +/- 2.32   3.617% *  2.4650% (0.25   0.02   0.14) =   2.700%  kept
          QB    ALA   61 - HG2   MET   96  13.46 +/- 2.80   5.963% *  1.4365% (0.14   0.02   0.02) =   2.594%  kept
          HB3   LEU   67 - HB2   PRO   52  20.28 +/- 3.19   1.155% *  6.4990% (0.65   0.02   0.02) =   2.273%  kept
          HG    LEU   40 - HB2   PRO   52  22.16 +/- 3.25   0.825% *  8.3913% (0.84   0.02   0.02) =   2.097%  kept
          QB    ALA  120 - HB2   PRO   52  15.40 +/- 2.52   2.457% *  2.7932% (0.28   0.02   0.02) =   2.078%  kept
          HG    LEU   67 - HG2   MET   96  16.92 +/- 3.68   2.658% *  2.1430% (0.21   0.02   0.02) =   1.725%  kept
          HB3   LEU   67 - HG2   MET   96  16.54 +/- 3.52   2.237% *  1.9091% (0.19   0.02   0.02) =   1.294%  kept
          QB    ALA  110 - HG2   MET   96  12.27 +/- 1.08   4.426% *  0.8205% (0.08   0.02   0.02) =   1.100%  kept
          QG    LYS+  66 - HG2   MET   96  17.72 +/- 2.46   1.430% *  2.4650% (0.25   0.02   0.02) =   1.068%  kept
          HG2   LYS+ 102 - HB2   PRO   52  29.57 +/- 3.47   0.247% * 10.0239% (1.00   0.02   0.02) =   0.751%  kept
          HG    LEU  115 - HG2   MET   96  14.27 +/- 2.60   2.977% *  0.8205% (0.08   0.02   0.14) =   0.740%  kept
          HG    LEU   80 - HG2   MET   96  15.94 +/- 3.62   2.587% *  0.9109% (0.09   0.02   0.02) =   0.714%  kept
          QB    ALA  120 - HG2   MET   96  15.45 +/- 2.76   2.297% *  0.8205% (0.08   0.02   0.02) =   0.571%  kept
          HG12  ILE   19 - HG2   MET   96  17.17 +/- 2.42   2.094% *  0.6570% (0.07   0.02   0.02) =   0.417%  kept
          HG12  ILE   19 - HB2   PRO   52  25.47 +/- 3.24   0.546% *  2.2366% (0.22   0.02   0.02) =   0.370%  kept
    Distance limit 3.19 A violated in 15 structures by 2.68 A, eliminated.
    Peak unassigned.
 
    Peak 2634 (1.34, 3.98, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.673, support = 0.02, residual support = 0.02:
          HB3   PRO   93 - HD2   PRO   52   9.69 +/- 2.89  25.002% *  5.3763% (0.65  1.00   0.02   0.02) =  17.436%  kept
        T QB    ALA   88 - HD2   PRO   52  15.75 +/- 3.53   9.190% * 14.5547% (0.18 10.00   0.02   0.02) =  17.350%  kept
          HB3   ASP-  44 - HD2   PRO   52  12.97 +/- 1.83  10.423% *  8.1462% (0.98  1.00   0.02   0.02) =  11.014%  kept
          HG2   LYS+ 111 - HD2   PRO   52  13.81 +/- 3.87  11.886% *  6.9417% (0.84  1.00   0.02   0.02) =  10.703%  kept
          HB2   LEU   63 - HD2   PRO   52  15.38 +/- 2.39   8.035% *  8.3107% (1.00  1.00   0.02   0.02) =   8.662%  kept
          QB    ALA  124 - HD2   PRO   52  21.27 +/- 4.54   8.598% *  7.4533% (0.90  1.00   0.02   0.02) =   8.313%  kept
          HB3   LEU   80 - HD2   PRO   52  18.82 +/- 4.72   7.147% *  8.1462% (0.98  1.00   0.02   0.02) =   7.553%  kept
          QB    ALA   84 - HD2   PRO   52  13.61 +/- 2.49   9.630% *  5.7087% (0.69  1.00   0.02   0.02) =   7.131%  kept
        T HG3   LYS+ 106 - HD2   PRO   52  19.32 +/- 3.58   4.254% * 12.8231% (0.15 10.00   0.02   0.02) =   7.077%  kept
          HB2   LEU   31 - HD2   PRO   52  26.06 +/- 4.65   2.188% *  7.4533% (0.90  1.00   0.02   0.02) =   2.115%  kept
          HG    LEU   98 - HD2   PRO   52  23.25 +/- 3.89   2.034% *  6.6547% (0.80  1.00   0.02   0.02) =   1.756%  kept
          HG2   LYS+  99 - HD2   PRO   52  28.05 +/- 2.69   0.871% *  4.7052% (0.57  1.00   0.02   0.02) =   0.532%  kept
          HG2   LYS+  38 - HD2   PRO   52  30.53 +/- 3.35   0.741% *  3.7260% (0.45  1.00   0.02   0.02) =   0.358%  kept
    Distance limit 3.67 A violated in 19 structures by 4.06 A, eliminated.
    Peak unassigned.
 
    Peak 2635 (3.99, 3.84, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.801, support = 7.33, residual support = 222.9:
      O T HD2   PRO   52 - HD3   PRO   52   1.75 +/- 0.00  97.505% * 97.1447% (0.80  10.0 10.00   7.33 222.96) =  99.978%  kept
        T HA    SER   48 - HD3   PRO   52   9.27 +/- 1.73   1.583% *  1.2025% (0.99   1.0 10.00   0.02   0.02) =   0.020%
        T HB2   SER   82 - HD3   PRO   52  22.68 +/- 4.00   0.094% *  0.8810% (0.73   1.0 10.00   0.02   0.02) =   0.001%
        T HA    VAL   70 - HD3   PRO   52  22.83 +/- 3.66   0.067% *  0.2401% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   PRO   52  19.65 +/- 3.86   0.105% *  0.1171% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD3   PRO   52  30.61 +/- 4.95   0.069% *  0.1148% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HD3   PRO   52  29.66 +/- 5.30   0.106% *  0.0736% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   PRO   52  15.70 +/- 2.35   0.165% *  0.0240% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   PRO   52  23.61 +/- 4.14   0.050% *  0.0785% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HD3   PRO   52  19.53 +/- 3.00   0.092% *  0.0270% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   PRO   52  18.94 +/- 3.15   0.103% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HD3   PRO   52  31.55 +/- 4.29   0.034% *  0.0544% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   PRO   52  29.25 +/- 4.71   0.025% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2636 (3.85, 3.98, 51.93 ppm):
    9 chemical-shift based assignments, quality = 0.863, support = 7.31, residual support = 221.3:
      O T HD3   PRO   52 - HD2   PRO   52   1.75 +/- 0.00  91.281% * 88.4380% (0.87  10.0 10.00   7.33 222.96) =  99.031%  kept
          HB2   CYS   53 - HD2   PRO   52   4.23 +/- 0.60   7.654% * 10.3043% (0.38   1.0  1.00   5.39  55.28) =   0.968%  kept
        T HB3   SER   82 - HD2   PRO   52  21.64 +/- 3.91   0.093% *  0.9412% (0.92   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR  118 - HD2   PRO   52  15.44 +/- 3.34   0.635% *  0.0157% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HD2   PRO   52  15.52 +/- 3.07   0.200% *  0.0457% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HD2   PRO   52  26.62 +/- 4.16   0.056% *  0.0816% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HD2   PRO   52  26.18 +/- 2.71   0.032% *  0.0618% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HD2   PRO   52  29.57 +/- 4.23   0.023% *  0.0660% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HD2   PRO   52  29.16 +/- 3.46   0.025% *  0.0457% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2637 (4.28, 3.84, 51.93 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.95, residual support = 13.4:
      O   HA1   GLY   51 - HD3   PRO   52   2.53 +/- 0.59  89.983% * 97.0168% (0.76  10.0  1.00   3.95  13.41) =  99.986%  kept
          HB    THR   77 - HD3   PRO   52  15.53 +/- 5.71   3.399% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.004%
          HA    GLU-  79 - HD3   PRO   52  18.90 +/- 5.18   1.845% *  0.1172% (0.92   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ILE  103 - HD3   PRO   52  25.15 +/- 3.51   0.162% *  1.2251% (0.97   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   57 - HD3   PRO   52  11.51 +/- 1.80   2.791% *  0.0569% (0.45   1.0  1.00   0.02   0.02) =   0.002%
        T HA    THR   39 - HD3   PRO   52  27.52 +/- 3.15   0.106% *  1.1012% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HD3   PRO   52  15.21 +/- 1.82   0.771% *  0.1060% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HD3   PRO   52  19.79 +/- 3.65   0.469% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - HD3   PRO   52  23.07 +/- 3.61   0.362% *  0.0222% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HD3   PRO   52  38.66 +/- 5.17   0.047% *  0.1017% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD3   PRO   52  36.45 +/- 4.71   0.065% *  0.0251% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2638 (4.29, 3.98, 51.93 ppm):
    12 chemical-shift based assignments, quality = 0.341, support = 5.11, residual support = 13.4:
      O   HA1   GLY   51 - HD2   PRO   52   3.15 +/- 0.38  86.675% * 92.3448% (0.34  10.0  1.00   5.11  13.41) =  99.932%  kept
          HB    THR   77 - HD2   PRO   52  14.41 +/- 5.46   6.851% *  0.2613% (0.97   1.0  1.00   0.02   0.02) =   0.022%
        T HA    SER   85 - HD2   PRO   52  18.91 +/- 3.58   0.638% *  2.6126% (0.97   1.0 10.00   0.02   0.02) =   0.021%
        T HA    ILE  103 - HD2   PRO   52  23.88 +/- 3.55   0.333% *  2.4279% (0.90   1.0 10.00   0.02   0.02) =   0.010%
          HA    GLU-  79 - HD2   PRO   52  17.84 +/- 4.87   2.830% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.005%
          HA    ASP-  44 - HD2   PRO   52  13.77 +/- 1.93   1.471% *  0.2683% (0.99   1.0  1.00   0.02   0.02) =   0.005%
        T HA    THR   39 - HD2   PRO   52  26.27 +/- 3.01   0.192% *  1.2137% (0.45   1.0 10.00   0.02   0.02) =   0.003%
          HA    ASP-  86 - HD2   PRO   52  22.11 +/- 3.52   0.438% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - HD2   PRO   52  37.43 +/- 4.98   0.077% *  0.2701% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD2   PRO   52  35.19 +/- 4.54   0.095% *  0.1533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HD2   PRO   52  31.21 +/- 4.14   0.119% *  0.1214% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HD2   PRO   52  24.86 +/- 3.63   0.281% *  0.0418% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2639 (2.33, 3.84, 51.93 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 6.6, residual support = 222.9:
      O   HG2   PRO   52 - HD3   PRO   52   2.91 +/- 0.00  88.175% * 99.6603% (0.90  10.0   6.60 222.96) =  99.994%  kept
          HG2   MET   92 - HD3   PRO   52  11.36 +/- 4.35   7.011% *  0.0417% (0.38   1.0   0.02   0.02) =   0.003%
          QG    GLU- 114 - HD3   PRO   52  13.26 +/- 3.57   2.587% *  0.0498% (0.45   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HD3   PRO   52  18.46 +/- 4.77   1.023% *  0.0585% (0.53   1.0   0.02   0.02) =   0.001%
          HB2   PRO   58 - HD3   PRO   52  14.92 +/- 2.43   0.964% *  0.0379% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD3   PRO   52  28.62 +/- 5.07   0.166% *  0.1101% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD3   PRO   52  34.09 +/- 4.06   0.074% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2640 (2.08, 3.84, 51.93 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 6.6, residual support = 223.0:
      O   HG3   PRO   52 - HD3   PRO   52   2.30 +/- 0.00  96.665% * 99.3977% (0.97  10.0  1.00   6.60 222.96) =  99.995%  kept
        T HB2   PRO   93 - HD3   PRO   52  11.21 +/- 3.24   2.141% *  0.2038% (0.20   1.0 10.00   0.02   0.02) =   0.005%
          HG2   PRO   58 - HD3   PRO   52  13.91 +/- 1.96   0.543% *  0.0994% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLN   32 - HD3   PRO   52  27.64 +/- 4.79   0.290% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD3   PRO   52  24.34 +/- 4.44   0.142% *  0.0542% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD3   PRO   52  32.19 +/- 4.92   0.044% *  0.0951% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD3   PRO   52  22.78 +/- 4.00   0.143% *  0.0257% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD3   PRO   52  38.91 +/- 6.08   0.031% *  0.0924% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2641 (1.85, 3.84, 51.93 ppm):
    14 chemical-shift based assignments, quality = 0.568, support = 6.76, residual support = 221.6:
      O   HB3   PRO   52 - HD3   PRO   52   3.80 +/- 0.29  71.649% * 95.9716% (0.57  10.0   6.80 222.96) =  99.397%  kept
          HG2   ARG+  54 - HD3   PRO   52   7.14 +/- 0.92  14.448% *  2.7947% (0.95   1.0   0.35   1.91) =   0.584%  kept
          HB3   GLN   90 - HD3   PRO   52  16.57 +/- 3.84   2.571% *  0.1295% (0.76   1.0   0.02   0.02) =   0.005%
          QB    LYS+ 106 - HD3   PRO   52  17.93 +/- 3.94   1.963% *  0.1097% (0.65   1.0   0.02   0.02) =   0.003%
          QB    LYS+  81 - HD3   PRO   52  16.36 +/- 3.30   1.416% *  0.1164% (0.69   1.0   0.02   0.02) =   0.002%
          HB    ILE   56 - HD3   PRO   52  10.93 +/- 1.14   3.568% *  0.0423% (0.25   1.0   0.02   0.02) =   0.002%
          HG    LEU  123 - HD3   PRO   52  20.34 +/- 4.27   1.358% *  0.0960% (0.57   1.0   0.02   0.02) =   0.002%
          HG3   PRO   68 - HD3   PRO   52  23.03 +/- 4.68   0.630% *  0.1662% (0.98   1.0   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HD3   PRO   52  22.17 +/- 2.93   0.514% *  0.1565% (0.92   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HD3   PRO   52  25.11 +/- 4.29   0.485% *  0.1636% (0.97   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HD3   PRO   52  27.26 +/- 3.74   0.315% *  0.1416% (0.84   1.0   0.02   0.02) =   0.001%
          HG12  ILE  103 - HD3   PRO   52  24.06 +/- 3.65   0.449% *  0.0523% (0.31   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   52  23.15 +/- 2.72   0.452% *  0.0335% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   PRO   52  30.64 +/- 3.71   0.182% *  0.0262% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2642 (8.10, 3.84, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.606, support = 6.07, residual support = 55.3:
          HN    CYS   53 - HD3   PRO   52   3.66 +/- 0.01  94.531% * 99.2987% (0.61   6.07  55.28) =  99.988%  kept
          HN    LEU   80 - HD3   PRO   52  18.77 +/- 4.91   4.706% *  0.2024% (0.38   0.02   0.02) =   0.010%
          HN    THR   26 - HD3   PRO   52  26.09 +/- 4.49   0.414% *  0.3489% (0.65   0.02   0.02) =   0.002%
          HN    ALA   34 - HD3   PRO   52  28.59 +/- 3.78   0.349% *  0.1500% (0.28   0.02   0.02) =   0.001%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2643 (9.58, 3.84, 51.93 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 3.52, residual support = 13.4:
          HN    GLY   51 - HD3   PRO   52   2.98 +/- 0.84  98.031% * 99.4684% (0.92   3.52  13.41) =  99.989%  kept
          HN    VAL  107 - HD3   PRO   52  17.51 +/- 3.66   1.969% *  0.5316% (0.87   0.02   0.02) =   0.011%
    Distance limit 4.09 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2644 (7.85, 3.98, 51.93 ppm):
    6 chemical-shift based assignments, quality = 0.613, support = 1.67, residual support = 1.82:
          HN    ARG+  54 - HD2   PRO   52   4.47 +/- 0.24  66.830% * 83.3100% (0.61   1.76   1.91) =  93.772%  kept
          HN    PHE   55 - HD2   PRO   52   6.00 +/- 0.31  27.864% * 13.0526% (0.73   0.23   0.43) =   6.126%  kept
          HN    ASP-  62 - HD2   PRO   52  14.23 +/- 2.01   2.668% *  1.4377% (0.92   0.02   0.02) =   0.065%
          HN    LEU   31 - HD2   PRO   52  25.51 +/- 4.13   1.124% *  1.5031% (0.97   0.02   0.02) =   0.028%
          HN    ALA   88 - HD2   PRO   52  19.28 +/- 3.32   1.217% *  0.3884% (0.25   0.02   0.02) =   0.008%
          HN    LYS+  38 - HD2   PRO   52  29.35 +/- 3.24   0.297% *  0.3082% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.72 A violated in 0 structures by 0.63 A, kept.
 
    Peak 2645 (8.10, 3.98, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 8.19, residual support = 55.3:
          HN    CYS   53 - HD2   PRO   52   2.28 +/- 0.03  98.092% * 99.4794% (0.61   8.19  55.28) =  99.997%  kept
          HN    LEU   80 - HD2   PRO   52  17.67 +/- 4.59   1.669% *  0.1503% (0.38   0.02   0.02) =   0.003%
          HN    THR   26 - HD2   PRO   52  24.92 +/- 4.29   0.120% *  0.2590% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD2   PRO   52  27.29 +/- 3.83   0.118% *  0.1113% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2647 (2.79, 3.34, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.924, support = 1.42, residual support = 7.2:
          QB    CYS   50 - HB3   CYS   53   3.90 +/- 1.34  74.369% * 79.3009% (0.92   1.48   7.60) =  94.658%  kept
          QE    LYS+  74 - HB3   CYS   53  12.27 +/- 2.91  17.110% * 19.1828% (0.95   0.35   0.02) =   5.268%  kept
          HB3   ASP-  78 - HB3   CYS   53  15.09 +/- 4.53   5.679% *  0.6566% (0.57   0.02   0.02) =   0.060%
          HB3   ASN   69 - HB3   CYS   53  21.03 +/- 3.48   0.672% *  0.6566% (0.57   0.02   0.02) =   0.007%
          HB2   PHE   72 - HB3   CYS   53  15.79 +/- 3.19   2.170% *  0.2031% (0.18   0.02   0.02) =   0.007%
    Distance limit 4.13 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2648 (2.80, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 1.49, residual support = 7.56:
        T QB    CYS   50 - HB2   CYS   53   3.11 +/- 1.31  77.591% * 97.5682% (0.92 10.00   1.50   7.60) =  99.488%  kept
          QE    LYS+  74 - HB2   CYS   53  12.39 +/- 3.38  17.675% *  2.1913% (0.90  1.00   0.35   0.02) =   0.509%  kept
          HB3   ASP-  78 - HB2   CYS   53  15.12 +/- 5.03   3.433% *  0.0247% (0.18  1.00   0.02   0.02) =   0.001%
          HB2   PHE   72 - HB2   CYS   53  16.04 +/- 2.75   0.880% *  0.0798% (0.57  1.00   0.02   0.02) =   0.001%
          HB3   ASN   69 - HB2   CYS   53  21.18 +/- 3.69   0.421% *  0.1360% (0.97  1.00   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2650 (1.26, 4.17, 63.73 ppm):
    10 chemical-shift based assignments, quality = 0.934, support = 0.02, residual support = 0.02:
        T QG2   ILE   56 - HA    CYS   53   4.11 +/- 1.28  71.950% * 41.1882% (0.95 10.00   0.02   0.02) =  95.793%  kept
          QB    ALA   91 - HA    CYS   53  11.29 +/- 2.95  13.928% *  3.9049% (0.90  1.00   0.02   0.02) =   1.758%  kept
        T HG13  ILE   19 - HA    CYS   53  22.10 +/- 2.82   1.279% * 24.6510% (0.57 10.00   0.02   0.02) =   1.019%  kept
        T HG    LEU   71 - HA    CYS   53  20.57 +/- 4.28   1.514% * 13.4389% (0.31 10.00   0.02   0.02) =   0.658%  kept
          HG2   LYS+  74 - HA    CYS   53  13.84 +/- 3.41   6.346% *  1.4852% (0.34  1.00   0.02   0.02) =   0.305%  kept
          QG2   THR   39 - HA    CYS   53  19.71 +/- 2.33   1.107% *  3.9049% (0.90  1.00   0.02   0.02) =   0.140%  kept
          QB    ALA   34 - HA    CYS   53  19.53 +/- 2.86   1.203% *  3.4865% (0.80  1.00   0.02   0.02) =   0.136%  kept
          QG2   THR   23 - HA    CYS   53  19.26 +/- 3.22   1.623% *  1.9521% (0.45  1.00   0.02   0.02) =   0.102%  kept
          HG3   LYS+  38 - HA    CYS   53  27.95 +/- 3.31   0.384% *  4.3541% (1.00  1.00   0.02   0.02) =   0.054%
          HG3   LYS+  99 - HA    CYS   53  24.88 +/- 2.63   0.666% *  1.6341% (0.38  1.00   0.02   0.02) =   0.035%
    Distance limit 3.34 A violated in 4 structures by 0.91 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2651 (8.10, 4.17, 63.73 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.86, residual support = 44.7:
      O   HN    CYS   53 - HA    CYS   53   2.73 +/- 0.05  96.843% * 99.7861% (0.61  10.0   4.86  44.75) =  99.998%  kept
          HN    LEU   80 - HA    CYS   53  17.58 +/- 3.91   2.594% *  0.0617% (0.38   1.0   0.02   0.02) =   0.002%
          HN    THR   26 - HA    CYS   53  23.66 +/- 3.76   0.237% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    CYS   53  25.07 +/- 3.75   0.325% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2652 (8.10, 3.83, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 5.0, residual support = 44.7:
      O   HN    CYS   53 - HB2   CYS   53   2.55 +/- 0.47  98.734% * 99.7861% (0.61  10.0   5.00  44.75) =  99.999%  kept
          HN    LEU   80 - HB2   CYS   53  16.34 +/- 3.69   0.844% *  0.0617% (0.38   1.0   0.02   0.02) =   0.001%
          HN    THR   26 - HB2   CYS   53  22.75 +/- 3.94   0.209% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   CYS   53  24.72 +/- 3.94   0.213% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2653 (7.86, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.955, support = 5.46, residual support = 31.6:
          HN    ARG+  54 - HB2   CYS   53   3.36 +/- 0.38  73.345% * 94.2858% (0.97   5.53  32.13) =  98.504%  kept
          HN    PHE   55 - HB2   CYS   53   5.15 +/- 0.21  21.233% *  4.8637% (0.31   0.89   0.02) =   1.471%  kept
          HN    ASP-  62 - HB2   CYS   53  10.90 +/- 2.07   3.340% *  0.3340% (0.95   0.02   0.02) =   0.016%
          HN    LEU   31 - HB2   CYS   53  23.08 +/- 4.22   1.859% *  0.3166% (0.90   0.02   0.02) =   0.008%
          HN    LYS+  38 - HB2   CYS   53  26.82 +/- 3.52   0.224% *  0.1999% (0.57   0.02   0.02) =   0.001%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2654 (7.87, 3.34, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.53, residual support = 32.1:
          HN    ARG+  54 - HB3   CYS   53   3.95 +/- 0.34  87.956% * 99.1984% (0.87   5.53  32.13) =  99.971%  kept
          HN    ASP-  62 - HB3   CYS   53  10.62 +/- 1.77   5.791% *  0.2174% (0.53   0.02   0.02) =   0.014%
          HN    LEU   31 - HB3   CYS   53  22.90 +/- 4.43   5.765% *  0.1853% (0.45   0.02   0.02) =   0.012%
          HN    LYS+  38 - HB3   CYS   53  26.63 +/- 3.53   0.489% *  0.3988% (0.97   0.02   0.02) =   0.002%
    Distance limit 4.19 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2655 (1.61, 3.34, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.91, residual support = 170.4:
      O T HG3   ARG+  54 - HD2   ARG+  54   2.84 +/- 0.17  89.974% * 99.2667% (0.87  10.0 10.00   4.91 170.49) =  99.939%  kept
          QB    ALA   57 - HD2   ARG+  54   7.58 +/- 1.63   8.939% *  0.6052% (0.20   1.0  1.00   0.53   0.02) =   0.061%
          HB3   LEU  123 - HD2   ARG+  54  20.66 +/- 3.66   0.381% *  0.0513% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   ARG+  54  16.90 +/- 2.53   0.556% *  0.0255% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   ARG+  54  26.59 +/- 4.25   0.151% *  0.0513% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2656 (3.35, 3.25, 43.59 ppm):
    6 chemical-shift based assignments, quality = 0.866, support = 3.62, residual support = 169.7:
      O T HD2   ARG+  54 - HD3   ARG+  54   1.75 +/- 0.00  94.056% * 80.9714% (0.87  10.0 10.00   3.62 170.49) =  99.510%  kept
          QB    PHE   55 - HD3   ARG+  54   5.82 +/- 1.18   3.699% *  6.7911% (0.49   1.0  1.00   2.99   4.31) =   0.328%  kept
          HB3   CYS   53 - HD3   ARG+  54   8.17 +/- 0.71   1.017% * 12.1047% (0.80   1.0  1.00   3.24  32.13) =   0.161%  kept
          HD3   PRO   93 - HD3   ARG+  54  13.91 +/- 3.78   0.505% *  0.0566% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HD3   ARG+  54  19.33 +/- 4.77   0.246% *  0.0528% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD3   ARG+  54  11.66 +/- 1.85   0.478% *  0.0233% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2657 (3.24, 3.34, 43.59 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.62, residual support = 170.5:
      O T HD3   ARG+  54 - HD2   ARG+  54   1.75 +/- 0.00  99.856% * 99.9131% (1.00  10.0 10.00   3.62 170.49) = 100.000%  kept
          HB3   HIS   22 - HD2   ARG+  54  23.91 +/- 6.07   0.144% *  0.0869% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2658 (1.61, 3.25, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.74, residual support = 170.5:
      O T HG3   ARG+  54 - HD3   ARG+  54   2.67 +/- 0.29  89.989% * 99.8484% (0.87  10.0 10.00   3.74 170.49) =  99.997%  kept
          QB    ALA   57 - HD3   ARG+  54   7.63 +/- 1.79   9.160% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU  123 - HD3   ARG+  54  20.81 +/- 3.71   0.300% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD3   ARG+  54  17.18 +/- 2.14   0.415% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   ARG+  54  26.65 +/- 4.32   0.136% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2659 (1.88, 3.25, 43.59 ppm):
    13 chemical-shift based assignments, quality = 0.487, support = 4.0, residual support = 170.5:
      O T HG2   ARG+  54 - HD3   ARG+  54   2.58 +/- 0.25  90.761% * 97.6350% (0.49  10.0 10.00   4.00 170.49) =  99.981%  kept
        T HG3   PRO   68 - HD3   ARG+  54  20.85 +/- 5.03   0.588% *  0.8246% (0.41   1.0 10.00   0.02   0.02) =   0.005%
          HB    ILE   56 - HD3   ARG+  54   9.69 +/- 1.04   2.132% *  0.1988% (0.99   1.0  1.00   0.02   0.02) =   0.005%
          HB3   PRO   58 - HD3   ARG+  54  11.70 +/- 2.96   2.550% *  0.0825% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB2   MET   92 - HD3   ARG+  54  14.83 +/- 4.16   1.364% *  0.1217% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  81 - HD3   ARG+  54  18.94 +/- 4.43   0.682% *  0.1606% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HD3   ARG+  54  20.55 +/- 3.82   0.499% *  0.1457% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HD3   ARG+  54  19.54 +/- 3.74   0.432% *  0.1675% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HD3   ARG+  54  30.28 +/- 6.10   0.173% *  0.1852% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   ARG+  54  25.64 +/- 4.84   0.203% *  0.1533% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   ARG+  54  26.49 +/- 4.84   0.280% *  0.0899% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   ARG+  54  22.48 +/- 3.43   0.191% *  0.1055% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   ARG+  54  27.14 +/- 4.56   0.145% *  0.1298% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2660 (2.04, 3.25, 43.59 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 4.03, residual support = 170.5:
      O   HB2   ARG+  54 - HD3   ARG+  54   3.43 +/- 0.36  90.035% * 99.0727% (0.73  10.0   4.03 170.49) =  99.991%  kept
          HB    ILE  119 - HD3   ARG+  54  15.70 +/- 2.45   1.609% *  0.1317% (0.97   1.0   0.02   0.02) =   0.002%
          HB2   PRO   93 - HD3   ARG+  54  13.45 +/- 3.02   2.561% *  0.0561% (0.41   1.0   0.02   0.02) =   0.002%
          HB    VAL  108 - HD3   ARG+  54  20.22 +/- 4.15   0.922% *  0.1092% (0.80   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HD3   ARG+  54  21.39 +/- 5.01   0.823% *  0.0883% (0.65   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HD3   ARG+  54  25.94 +/- 4.96   0.468% *  0.1317% (0.97   1.0   0.02   0.02) =   0.001%
          HB2   GLN   30 - HD3   ARG+  54  25.90 +/- 4.81   0.448% *  0.1317% (0.97   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HD3   ARG+  54  15.85 +/- 2.29   1.084% *  0.0465% (0.34   1.0   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HD3   ARG+  54  32.01 +/- 4.98   0.212% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   ARG+  54  28.26 +/- 6.39   1.218% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   ARG+  54  25.28 +/- 4.88   0.357% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   ARG+  54  27.33 +/- 4.49   0.264% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2661 (1.86, 1.60, 27.63 ppm):
    14 chemical-shift based assignments, quality = 0.923, support = 5.09, residual support = 170.5:
      O T HG2   ARG+  54 - HG3   ARG+  54   1.75 +/- 0.00  95.611% * 97.1361% (0.92  10.0 10.00   5.09 170.49) =  99.996%  kept
        T HG3   PRO   68 - HG3   ARG+  54  20.78 +/- 4.93   0.125% *  0.9128% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HG3   ARG+  54   8.98 +/- 1.02   0.817% *  0.0681% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HG3   ARG+  54  26.88 +/- 4.28   0.048% *  1.0430% (0.99   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU  123 - HG3   ARG+  54  18.21 +/- 3.77   0.200% *  0.2082% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   ARG+  54   7.45 +/- 1.35   1.845% *  0.0208% (0.20   1.0  1.00   0.02   1.91) =   0.000%
          QB    LYS+  81 - HG3   ARG+  54  18.63 +/- 4.08   0.158% *  0.1043% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   ARG+  54  20.05 +/- 3.72   0.154% *  0.1052% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   ARG+  54  14.12 +/- 4.14   0.691% *  0.0208% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   ARG+  54  19.15 +/- 3.46   0.123% *  0.1031% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   ARG+  54  26.10 +/- 4.29   0.067% *  0.0944% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   ARG+  54  22.17 +/- 3.37   0.061% *  0.0995% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   ARG+  54  25.29 +/- 4.56   0.066% *  0.0325% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   ARG+  54  30.10 +/- 5.62   0.033% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2662 (2.03, 1.60, 27.63 ppm):
    13 chemical-shift based assignments, quality = 0.309, support = 5.12, residual support = 170.5:
      O   HB2   ARG+  54 - HG3   ARG+  54   2.66 +/- 0.31  94.383% * 97.7423% (0.31  10.0   5.12 170.49) =  99.989%  kept
          HB    ILE  119 - HG3   ARG+  54  15.17 +/- 2.82   1.561% *  0.1921% (0.61   1.0   0.02   0.02) =   0.003%
          HB2   LYS+ 111 - HG3   ARG+  54  15.45 +/- 2.80   0.697% *  0.2420% (0.76   1.0   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HG3   ARG+  54  27.86 +/- 5.95   0.660% *  0.1541% (0.49   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HG3   ARG+  54  21.33 +/- 4.70   0.327% *  0.3104% (0.98   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HG3   ARG+  54  19.77 +/- 4.13   0.534% *  0.1189% (0.38   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG3   ARG+  54  25.58 +/- 4.47   0.215% *  0.2840% (0.90   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG3   ARG+  54  14.99 +/- 2.44   0.809% *  0.0627% (0.20   1.0   0.02   0.02) =   0.001%
          HB2   GLN   30 - HG3   ARG+  54  25.54 +/- 4.45   0.233% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   ARG+  54  25.00 +/- 4.68   0.169% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   ARG+  54  27.16 +/- 4.39   0.127% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   ARG+  54  31.72 +/- 4.38   0.098% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   ARG+  54  24.27 +/- 4.39   0.187% *  0.0489% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2663 (4.11, 1.60, 27.63 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 170.5:
      O   HA    ARG+  54 - HG3   ARG+  54   3.60 +/- 0.52  92.596% * 99.5710% (1.00  10.0   5.75 170.49) =  99.996%  kept
          HA    LEU  115 - HG3   ARG+  54  14.59 +/- 2.82   3.059% *  0.0604% (0.61   1.0   0.02   0.02) =   0.002%
          HA    LYS+  81 - HG3   ARG+  54  20.26 +/- 4.16   1.194% *  0.0644% (0.65   1.0   0.02   0.02) =   0.001%
          HA    ALA  124 - HG3   ARG+  54  24.09 +/- 4.10   0.596% *  0.0976% (0.98   1.0   0.02   0.02) =   0.001%
          HA    ASN   28 - HG3   ARG+  54  26.38 +/- 5.67   0.557% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   ARG+  54  17.03 +/- 2.39   1.297% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   ARG+  54  27.94 +/- 4.51   0.319% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   ARG+  54  33.20 +/- 5.10   0.180% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   ARG+  54  30.88 +/- 4.67   0.202% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2665 (3.26, 1.60, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 3.74, residual support = 170.5:
      O T HD3   ARG+  54 - HG3   ARG+  54   2.67 +/- 0.29  99.696% * 99.9462% (0.76  10.0 10.00   3.74 170.49) = 100.000%  kept
          HB3   HIS   22 - HG3   ARG+  54  23.37 +/- 5.73   0.304% *  0.0538% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2666 (3.35, 1.60, 27.63 ppm):
    6 chemical-shift based assignments, quality = 0.856, support = 4.87, residual support = 164.1:
      O T HD2   ARG+  54 - HG3   ARG+  54   2.84 +/- 0.17  69.789% * 77.0203% (0.87  10.0 10.00   4.91 170.49) =  95.902%  kept
          QB    PHE   55 - HG3   ARG+  54   5.25 +/- 1.13  18.351% *  8.0693% (0.49   1.0  1.00   3.73   4.31) =   2.642%  kept
          HB3   CYS   53 - HG3   ARG+  54   7.10 +/- 0.81   5.505% * 14.7841% (0.80   1.0  1.00   4.16  32.13) =   1.452%  kept
          HD3   PRO   93 - HG3   ARG+  54  13.16 +/- 4.02   2.565% *  0.0539% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HG3   ARG+  54  11.11 +/- 2.20   3.168% *  0.0221% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HG3   ARG+  54  19.21 +/- 4.56   0.623% *  0.0503% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2667 (7.87, 1.60, 27.63 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.68, residual support = 170.5:
          HN    ARG+  54 - HG3   ARG+  54   3.66 +/- 0.67  95.375% * 99.3355% (0.87   6.69 170.49) =  99.991%  kept
          HN    ASP-  62 - HG3   ARG+  54  12.74 +/- 2.17   3.196% *  0.1802% (0.53   0.02   0.02) =   0.006%
          HN    LEU   31 - HG3   ARG+  54  26.74 +/- 5.08   1.170% *  0.1536% (0.45   0.02   0.02) =   0.002%
          HN    LYS+  38 - HG3   ARG+  54  30.08 +/- 4.89   0.258% *  0.3306% (0.97   0.02   0.02) =   0.001%
    Distance limit 4.14 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2668 (1.61, 1.86, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 5.09, residual support = 170.5:
      O T HG3   ARG+  54 - HG2   ARG+  54   1.75 +/- 0.00  95.495% * 98.1061% (0.87  10.0 10.00   5.09 170.49) =  99.997%  kept
          QB    ALA   57 - HG2   ARG+  54   6.52 +/- 1.35   3.123% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU  123 - HG3   PRO   68  17.49 +/- 6.82   0.480% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LEU  123 - HG2   ARG+  54  19.90 +/- 3.65   0.107% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG2   ARG+  54  16.26 +/- 2.45   0.147% *  0.2518% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG3   PRO   68  20.78 +/- 4.93   0.125% *  0.2618% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   PRO   68  16.64 +/- 3.36   0.169% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   ARG+  54  25.85 +/- 3.87   0.044% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   PRO   68  24.73 +/- 5.15   0.138% *  0.0672% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   PRO   68  15.42 +/- 2.03   0.172% *  0.0060% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2669 (2.02, 1.86, 27.63 ppm):
    24 chemical-shift based assignments, quality = 0.157, support = 3.25, residual support = 36.3:
      O   HG2   PRO   68 - HG3   PRO   68   1.75 +/- 0.00  74.397% * 33.8555% (0.12  10.0  1.00   2.31  36.33) =  63.663%  kept
      O   HB3   PRO   68 - HG3   PRO   68   2.71 +/- 0.30  22.788% * 63.0750% (0.22  10.0  1.00   4.89  36.33) =  36.330%  kept
          HB2   LYS+ 111 - HG2   ARG+  54  14.83 +/- 2.68   0.162% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HG2   ARG+  54  27.45 +/- 5.99   0.113% *  0.2612% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG2   ARG+  54  14.34 +/- 2.32   0.169% *  0.1716% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLN   30 - HG2   ARG+  54  24.94 +/- 4.34   0.044% *  0.5600% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG3   PRO   68  14.25 +/- 4.61   0.274% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG3   PRO   68  18.93 +/- 4.59   0.429% *  0.0458% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   PRO   68  15.14 +/- 4.20   0.248% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   ARG+  54  20.93 +/- 4.22   0.070% *  0.2364% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   PRO   68  22.62 +/- 4.64   0.212% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   ARG+  54  14.58 +/- 2.51   0.205% *  0.0560% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   ARG+  54  24.36 +/- 4.40   0.039% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   ARG+  54  20.21 +/- 4.19   0.082% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   ARG+  54  26.53 +/- 4.09   0.027% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   ARG+  54  23.65 +/- 4.19   0.045% *  0.1489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   ARG+  54  25.00 +/- 4.47   0.043% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   PRO   68  15.84 +/- 2.54   0.132% *  0.0397% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   68  16.40 +/- 4.60   0.218% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   PRO   68  18.07 +/- 2.41   0.086% *  0.0339% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   PRO   68  25.29 +/- 3.49   0.036% *  0.0697% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   68  17.54 +/- 2.18   0.092% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   68  21.74 +/- 6.15   0.071% *  0.0188% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   ARG+  54  31.07 +/- 4.12   0.019% *  0.0706% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2670 (3.35, 1.86, 27.63 ppm):
    12 chemical-shift based assignments, quality = 0.731, support = 4.91, residual support = 139.4:
      O T HD2   ARG+  54 - HG2   ARG+  54   2.79 +/- 0.26  34.226% * 68.3479% (0.87  10.0 10.00   5.01 170.49) =  77.780%  kept
      O   HD3   PRO   68 - HG3   PRO   68   2.57 +/- 0.30  42.790% * 11.9038% (0.15  10.0  1.00   4.85  36.33) =  16.936%  kept
          QB    PHE   55 - HG2   ARG+  54   4.53 +/- 1.59  16.571% *  6.8308% (0.49   1.0  1.00   3.56   4.31) =   3.764%  kept
          HB3   CYS   53 - HG2   ARG+  54   6.36 +/- 0.61   3.629% * 12.5780% (0.80   1.0  1.00   3.99  32.13) =   1.518%  kept
          HD3   PRO   93 - HG2   ARG+  54  12.75 +/- 3.51   0.805% *  0.0478% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   ARG+  54 - HG3   PRO   68  20.90 +/- 5.30   0.150% *  0.1824% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG2   ARG+  54  10.36 +/- 1.86   0.895% *  0.0196% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HG2   ARG+  54  18.77 +/- 4.04   0.176% *  0.0446% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  19.30 +/- 3.57   0.148% *  0.0168% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  14.93 +/- 2.73   0.361% *  0.0052% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  18.38 +/- 3.24   0.150% *  0.0102% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  22.34 +/- 3.69   0.099% *  0.0128% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2671 (3.27, 1.86, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 4.0, residual support = 170.5:
      O T HD3   ARG+  54 - HG2   ARG+  54   2.58 +/- 0.25  99.356% * 99.7339% (0.31  10.0 10.00   4.00 170.49) =  99.998%  kept
        T HD3   ARG+  54 - HG3   PRO   68  20.85 +/- 5.03   0.644% *  0.2661% (0.08   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2672 (4.11, 1.86, 27.63 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.8, residual support = 170.4:
      O T HA    ARG+  54 - HG2   ARG+  54   3.04 +/- 0.67  83.063% * 97.8074% (1.00  10.0 10.00   5.80 170.49) =  99.971%  kept
        T HA    LEU  115 - HG2   ARG+  54  13.82 +/- 2.63   2.123% *  0.5932% (0.61   1.0 10.00   0.02   0.02) =   0.015%
        T HA    LYS+  81 - HG2   ARG+  54  19.85 +/- 3.92   0.719% *  0.6327% (0.65   1.0 10.00   0.02   0.02) =   0.006%
        T HA    ARG+  54 - HG3   PRO   68  18.93 +/- 3.91   0.724% *  0.2610% (0.27   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA  124 - HG3   PRO   68  18.87 +/- 8.50   4.710% *  0.0256% (0.26   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LEU  115 - HG3   PRO   68  18.18 +/- 3.84   0.670% *  0.1583% (0.16   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  81 - HG3   PRO   68  24.24 +/- 3.02   0.270% *  0.1688% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HG2   ARG+  54  25.85 +/- 5.47   0.650% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG2   ARG+  54  23.62 +/- 3.83   0.366% *  0.0959% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   PRO   68  15.63 +/- 2.89   2.265% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   ARG+  54  16.33 +/- 2.23   0.942% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   PRO   68  20.66 +/- 3.38   0.866% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   PRO   68  19.36 +/- 3.34   0.978% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   ARG+  54  27.29 +/- 4.23   0.205% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   ARG+  54  32.56 +/- 4.93   0.115% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   ARG+  54  30.23 +/- 4.47   0.142% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   PRO   68  23.14 +/- 6.55   0.471% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   PRO   68  20.75 +/- 5.08   0.719% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2673 (7.87, 1.86, 27.63 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 6.67, residual support = 170.5:
          HN    ARG+  54 - HG2   ARG+  54   3.11 +/- 0.52  90.561% * 99.0791% (0.87   6.67 170.49) =  99.989%  kept
          HN    ASP-  62 - HG2   ARG+  54  12.14 +/- 2.05   2.698% *  0.1802% (0.53   0.02   0.02) =   0.005%
          HN    LYS+  38 - HG3   PRO   68  16.42 +/- 3.08   1.930% *  0.0882% (0.26   0.02   0.02) =   0.002%
          HN    ASP-  62 - HG3   PRO   68  12.29 +/- 1.89   2.826% *  0.0481% (0.14   0.02   0.02) =   0.002%
          HN    LEU   31 - HG2   ARG+  54  26.14 +/- 4.93   0.682% *  0.1536% (0.45   0.02   0.02) =   0.001%
          HN    LYS+  38 - HG2   ARG+  54  29.44 +/- 4.62   0.143% *  0.3305% (0.97   0.02   0.02) =   0.001%
          HN    ARG+  54 - HG3   PRO   68  20.09 +/- 4.02   0.534% *  0.0793% (0.23   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   PRO   68  18.94 +/- 2.74   0.626% *  0.0410% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2674 (1.63, 1.95, 30.44 ppm):
    7 chemical-shift based assignments, quality = 0.899, support = 0.02, residual support = 0.02:
          QB    ALA   57 - HB3   ARG+  54   6.33 +/- 1.34  56.015% * 19.4000% (0.97   0.02   0.02) =  68.388%  kept
          HD2   LYS+  74 - HB3   ARG+  54  16.36 +/- 4.53  15.834% * 14.5972% (0.73   0.02   0.02) =  14.546%  kept
          HB3   LEU  123 - HB3   ARG+  54  19.72 +/- 3.75   4.601% * 19.4000% (0.97   0.02   0.02) =   5.617%  kept
          HD3   LYS+ 111 - HB3   ARG+  54  16.48 +/- 2.66   4.344% * 19.7041% (0.98   0.02   0.02) =   5.387%  kept
          QD    LYS+  65 - HB3   ARG+  54  13.78 +/- 2.71  11.921% *  3.5205% (0.18   0.02   0.02) =   2.641%  kept
          QD    LYS+  33 - HB3   ARG+  54  25.50 +/- 4.26   1.646% * 19.4000% (0.97   0.02   0.02) =   2.010%  kept
          HB2   LYS+ 121 - HB3   ARG+  54  18.52 +/- 3.28   5.639% *  3.9782% (0.20   0.02   0.02) =   1.412%  kept
    Distance limit 3.12 A violated in 17 structures by 2.93 A, eliminated.
    Peak unassigned.
 
    Peak 2675 (7.87, 1.95, 30.44 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.37, residual support = 170.5:
      O   HN    ARG+  54 - HB3   ARG+  54   3.16 +/- 0.58  88.506% * 99.7769% (0.87  10.0   5.37 170.49) =  99.992%  kept
          HN    ASP-  62 - HB3   ARG+  54  11.73 +/- 2.67  10.779% *  0.0605% (0.53   1.0   0.02   0.02) =   0.007%
          HN    LYS+  38 - HB3   ARG+  54  29.01 +/- 5.39   0.247% *  0.1110% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ARG+  54  25.72 +/- 5.14   0.468% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2676 (7.87, 2.05, 30.44 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.59, residual support = 170.5:
      O   HN    ARG+  54 - HB2   ARG+  54   2.45 +/- 0.42  94.604% * 99.6984% (0.87  10.0   6.59 170.49) =  99.998%  kept
          HN    ASP-  62 - HB2   ARG+  54  12.11 +/- 2.48   2.808% *  0.0605% (0.53   1.0   0.02   0.02) =   0.002%
          HN    LYS+  38 - HB2   GLU-  14  16.24 +/- 4.68   0.767% *  0.0163% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ARG+  54  29.19 +/- 4.92   0.087% *  0.1109% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ARG+  54  25.90 +/- 4.83   0.160% *  0.0515% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   GLU-  14  16.10 +/- 3.35   0.559% *  0.0076% (0.07   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   MET   11  20.83 +/- 5.32   0.315% *  0.0107% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   GLU-  14  21.34 +/- 4.27   0.239% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   GLU-  14  29.71 +/- 4.56   0.085% *  0.0147% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   MET   11  21.68 +/- 4.33   0.241% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG2   MET   11  28.57 +/- 4.74   0.094% *  0.0058% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   MET   11  36.60 +/- 5.67   0.040% *  0.0096% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2677 (7.27, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.249, support = 1.43, residual support = 28.5:
          QE    PHE   59 - HA    LEU  115   3.42 +/- 0.70  54.619% * 69.4997% (0.25   1.50  29.56) =  94.876%  kept
          QD    PHE   60 - HA    LEU  115   9.08 +/- 2.39   8.557% * 10.2923% (0.17   0.31   0.02) =   2.201%  kept
          HN    PHE   59 - HA    LEU  115   8.26 +/- 1.45   7.336% *  7.4738% (0.13   0.31  29.56) =   1.370%  kept
          QD    PHE   60 - HA    ARG+  54   8.54 +/- 2.74  14.814% *  2.1293% (0.57   0.02   0.02) =   0.788%  kept
          QE    PHE   59 - HA    ARG+  54   9.86 +/- 2.02   4.107% *  3.0115% (0.80   0.02   0.02) =   0.309%  kept
          HN    PHE   59 - HA    ARG+  54   7.57 +/- 1.13   7.150% *  1.5462% (0.41   0.02   0.02) =   0.276%  kept
          HN    LYS+  66 - HA    ARG+  54  14.33 +/- 2.61   1.424% *  3.6865% (0.98   0.02   0.02) =   0.131%  kept
          HN    LYS+  66 - HA    LEU  115  14.68 +/- 2.48   1.190% *  1.1343% (0.30   0.02   0.02) =   0.034%
          HN    LYS+  81 - HA    ARG+  54  19.81 +/- 3.87   0.475% *  0.9378% (0.25   0.02   0.02) =   0.011%
          HN    LYS+  81 - HA    LEU  115  21.68 +/- 2.86   0.327% *  0.2886% (0.08   0.02   0.02) =   0.002%
    Distance limit 3.87 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2678 (7.86, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.88, support = 6.14, residual support = 148.9:
      O   HN    ARG+  54 - HA    ARG+  54   2.73 +/- 0.05  62.806% * 75.5578% (0.97  10.0   6.57 170.49) =  87.020%  kept
      O   HN    PHE   55 - HA    ARG+  54   3.52 +/- 0.03  29.276% * 24.1648% (0.31  10.0   3.27   4.31) =  12.973%  kept
          HN    ASP-  62 - HA    ARG+  54   9.94 +/- 2.07   3.345% *  0.0741% (0.95   1.0   0.02   0.02) =   0.005%
          HN    ASP-  62 - HA    LEU  115  10.86 +/- 1.26   1.365% *  0.0228% (0.29   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - HA    ARG+  54  24.29 +/- 4.75   0.354% *  0.0702% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU  115  12.48 +/- 2.46   1.013% *  0.0232% (0.30   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    LEU  115  11.19 +/- 2.37   1.499% *  0.0074% (0.09   1.0   0.02   7.88) =   0.000%
          HN    LYS+  38 - HA    ARG+  54  27.57 +/- 4.54   0.087% *  0.0443% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LEU  115  22.55 +/- 2.72   0.139% *  0.0216% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    LEU  115  24.43 +/- 2.96   0.115% *  0.0136% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2679 (7.61, 3.33, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.565, support = 4.28, residual support = 21.2:
          HN    ILE   56 - QB    PHE   55   3.00 +/- 0.48  81.699% * 94.1445% (0.57   4.29  21.30) =  99.625%  kept
          HN    LYS+ 111 - QB    PHE   55   9.35 +/- 3.50   8.632% *  1.9788% (0.22   0.23   0.02) =   0.221%  kept
          QE    PHE   60 - QB    PHE   55  10.21 +/- 2.18   5.422% *  1.7769% (0.25   0.18   0.02) =   0.125%  kept
          HN    LEU   63 - QB    PHE   55  11.64 +/- 1.56   2.714% *  0.5323% (0.69   0.02   0.02) =   0.019%
          HD21  ASN   28 - QB    PHE   55  22.32 +/- 4.00   0.641% *  0.7478% (0.97   0.02   0.02) =   0.006%
          HZ2   TRP   87 - QB    PHE   55  20.99 +/- 2.73   0.347% *  0.6472% (0.84   0.02   0.02) =   0.003%
          HN    ALA   84 - QB    PHE   55  18.99 +/- 3.17   0.545% *  0.1725% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2680 (7.85, 3.33, 38.95 ppm):
    6 chemical-shift based assignments, quality = 0.724, support = 3.02, residual support = 20.6:
      O   HN    PHE   55 - QB    PHE   55   2.02 +/- 0.10  89.380% * 87.1762% (0.73  10.0   3.01  20.90) =  98.466%  kept
          HN    ARG+  54 - QB    PHE   55   4.27 +/- 0.15   9.670% * 12.5434% (0.61   1.0   3.45   4.31) =   1.533%  kept
          HN    ASP-  62 - QB    PHE   55  10.73 +/- 0.91   0.653% *  0.1108% (0.92   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - QB    PHE   55  23.28 +/- 3.58   0.112% *  0.1159% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ALA   88 - QB    PHE   55  19.74 +/- 2.99   0.136% *  0.0299% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    PHE   55  25.80 +/- 3.17   0.050% *  0.0238% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2681 (7.29, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 0.862, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    PHE   55   8.88 +/- 1.73  61.190% * 36.5548% (0.90   0.02   0.02) =  70.634%  kept
          HN    LYS+  81 - QB    PHE   55  19.38 +/- 4.09  15.117% * 40.3993% (0.99   0.02   0.02) =  19.285%  kept
          HN    LYS+  66 - QB    PHE   55  14.81 +/- 1.81  16.263% * 16.7569% (0.41   0.02   0.02) =   8.606%  kept
          HE3   TRP   27 - QB    PHE   55  19.65 +/- 2.81   7.430% *  6.2891% (0.15   0.02   0.02) =   1.476%  kept
    Distance limit 3.29 A violated in 20 structures by 5.33 A, eliminated.
    Peak unassigned.
 
    Peak 2682 (7.61, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.252, support = 5.9, residual support = 123.3:
      O   HN    ILE   56 - HB    ILE   56   3.34 +/- 0.52  85.253% * 91.3813% (0.25  10.0   5.94 124.29) =  99.175%  kept
          QE    PHE   60 - HB    ILE   56   9.43 +/- 1.87   8.190% *  7.7805% (0.57   1.0   0.75   3.32) =   0.811%  kept
          HN    LEU   63 - HB    ILE   56   9.91 +/- 1.73   5.572% *  0.1250% (0.34   1.0   0.02   0.02) =   0.009%
          HZ2   TRP   87 - HB    ILE   56  21.38 +/- 3.14   0.557% *  0.3665% (1.00   1.0   0.02   0.02) =   0.003%
          HD21  ASN   28 - HB    ILE   56  22.86 +/- 4.27   0.428% *  0.3467% (0.95   1.0   0.02   0.02) =   0.002%
    Distance limit 3.26 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2683 (7.34, 1.88, 41.57 ppm):
    8 chemical-shift based assignments, quality = 0.532, support = 2.16, residual support = 15.3:
          QD    PHE   55 - HB    ILE   56   4.74 +/- 1.25  53.608% * 61.4790% (0.41   2.73  21.30) =  71.184%  kept
          QE    PHE   95 - HB    ILE   56   7.20 +/- 4.57  38.646% * 34.3601% (0.84   0.75   0.44) =  28.680%  kept
          HN    LEU   67 - HB    ILE   56  14.84 +/- 1.87   2.138% *  1.0873% (0.99   0.02   0.02) =   0.050%
          HD1   TRP   49 - HB    ILE   56  14.29 +/- 1.77   2.304% *  0.8383% (0.76   0.02   0.02) =   0.042%
          HN    THR   23 - HB    ILE   56  21.12 +/- 3.44   0.848% *  0.9515% (0.87   0.02   0.02) =   0.017%
          HD2   HIS   22 - HB    ILE   56  21.91 +/- 4.55   1.205% *  0.6653% (0.61   0.02   0.02) =   0.017%
          HE3   TRP   27 - HB    ILE   56  19.41 +/- 2.99   0.933% *  0.3742% (0.34   0.02   0.02) =   0.008%
          HD21  ASN   35 - HB    ILE   56  28.04 +/- 4.54   0.319% *  0.2442% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.25 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2684 (0.80, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.61, residual support = 124.3:
      O T QD1   ILE   56 - HB    ILE   56   2.78 +/- 0.42  88.819% * 99.4902% (0.87  10.0 10.00   4.61 124.29) =  99.979%  kept
        T QD2   LEU  123 - HB    ILE   56  11.04 +/- 2.57   4.736% *  0.2860% (0.25   1.0 10.00   0.02   0.02) =   0.015%
          QD2   LEU   73 - HB    ILE   56  14.04 +/- 3.92   4.963% *  0.0696% (0.61   1.0  1.00   0.02   0.02) =   0.004%
          HG3   LYS+ 121 - HB    ILE   56  14.90 +/- 2.02   0.865% *  0.1029% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB    ILE   56  21.91 +/- 4.26   0.617% *  0.0514% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2685 (0.80, 1.72, 31.79 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.08, residual support = 124.2:
      O T QD1   ILE   56 - QG1   ILE   56   1.91 +/- 0.02  92.938% * 98.2187% (0.87  10.0 10.00   4.08 124.29) =  99.958%  kept
        T QD2   LEU   73 - QG1   ILE   56  11.54 +/- 3.59   4.974% *  0.6868% (0.61   1.0 10.00   0.02   0.02) =   0.037%
        T HG3   LYS+ 121 - QG1   ILE   56  12.34 +/- 1.17   0.375% *  1.0155% (0.90   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU  123 - QG1   ILE   56   9.50 +/- 1.66   1.439% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   ILE   56  18.47 +/- 3.52   0.273% *  0.0508% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2686 (1.28, 0.79, 15.02 ppm):
    7 chemical-shift based assignments, quality = 0.723, support = 5.09, residual support = 124.3:
        T QG2   ILE   56 - QD1   ILE   56   2.59 +/- 0.64  92.132% * 98.5057% (0.72 10.00   5.09 124.29) =  99.983%  kept
        T QB    ALA   34 - QD1   ILE   56  15.37 +/- 2.47   1.060% *  1.1899% (0.87 10.00   0.02   0.02) =   0.014%
          QB    ALA   91 - QD1   ILE   56  10.55 +/- 2.77   2.708% *  0.0398% (0.29  1.00   0.02   0.02) =   0.001%
          QG2   THR   23 - QD1   ILE   56  16.58 +/- 2.80   0.550% *  0.1263% (0.93  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - QD1   ILE   56  10.73 +/- 2.33   2.446% *  0.0255% (0.19  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QD1   ILE   56  15.33 +/- 2.47   0.816% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   56  21.69 +/- 3.62   0.289% *  0.0730% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2687 (1.43, 0.79, 15.02 ppm):
    14 chemical-shift based assignments, quality = 0.838, support = 1.53, residual support = 1.08:
          QB    ALA   61 - QD1   ILE   56   6.70 +/- 1.21  18.587% * 47.0730% (0.94  1.00   1.60   1.22) =  49.685%  kept
          QB    ALA  110 - QD1   ILE   56   7.10 +/- 3.00  16.749% * 43.3806% (0.85  1.00   1.64   1.08) =  41.261%  kept
          HB3   LEU  115 - QD1   ILE   56   4.73 +/- 2.27  32.410% *  4.4319% (0.21  1.00   0.68   0.31) =   8.157%  kept
        T HD3   LYS+ 121 - QD1   ILE   56  11.48 +/- 1.31   4.675% *  1.6389% (0.26 10.00   0.02   0.02) =   0.435%  kept
          QG    LYS+  66 - QD1   ILE   56  10.63 +/- 2.01   4.470% *  0.5113% (0.82  1.00   0.02   0.02) =   0.130%  kept
          HB3   LEU   67 - QD1   ILE   56  12.87 +/- 2.12   3.020% *  0.5778% (0.93  1.00   0.02   0.02) =   0.099%
          HG    LEU   73 - QD1   ILE   56  14.08 +/- 3.78   2.408% *  0.4049% (0.65  1.00   0.02   0.02) =   0.055%
          HB3   LYS+  74 - QD1   ILE   56  12.52 +/- 3.13   6.201% *  0.1470% (0.24  1.00   0.02   0.02) =   0.052%
          HG    LEU   80 - QD1   ILE   56  17.76 +/- 3.18   0.906% *  0.5441% (0.87  1.00   0.02   0.02) =   0.028%
          HG12  ILE   19 - QD1   ILE   56  17.67 +/- 2.41   0.926% *  0.4924% (0.79  1.00   0.02   0.02) =   0.026%
          HG    LEU   67 - QD1   ILE   56  12.86 +/- 2.47   4.939% *  0.0909% (0.15  1.00   0.02   0.02) =   0.026%
          HG    LEU   40 - QD1   ILE   56  14.44 +/- 3.04   3.114% *  0.1312% (0.21  1.00   0.02   0.02) =   0.023%
          HB2   LEU   80 - QD1   ILE   56  16.78 +/- 3.12   1.184% *  0.2423% (0.39  1.00   0.02   0.02) =   0.016%
          HG2   LYS+ 102 - QD1   ILE   56  21.04 +/- 2.26   0.410% *  0.3337% (0.54  1.00   0.02   0.02) =   0.008%
    Distance limit 3.21 A violated in 5 structures by 0.86 A, kept.
 
    Peak 2688 (1.71, 0.79, 15.02 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 4.08, residual support = 124.3:
      O T QG1   ILE   56 - QD1   ILE   56   1.91 +/- 0.02  93.880% * 98.9931% (0.85  10.0 10.00   4.08 124.29) =  99.993%  kept
        T HB2   LEU   73 - QD1   ILE   56  13.97 +/- 3.32   0.660% *  0.6249% (0.54   1.0 10.00   0.02   0.02) =   0.004%
          HB3   MET   92 - QD1   ILE   56   9.79 +/- 3.13   2.092% *  0.0454% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD1   ILE   56  11.87 +/- 2.71   0.809% *  0.0844% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD1   ILE   56   9.36 +/- 2.76   1.858% *  0.0341% (0.29   1.0  1.00   0.02   1.77) =   0.001%
          QD    LYS+  99 - QD1   ILE   56  16.54 +/- 2.79   0.194% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   ILE   56  14.00 +/- 2.68   0.364% *  0.0414% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   56  17.98 +/- 2.63   0.144% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2689 (1.89, 0.79, 15.02 ppm):
    10 chemical-shift based assignments, quality = 0.724, support = 4.59, residual support = 123.2:
      O T HB    ILE   56 - QD1   ILE   56   2.78 +/- 0.42  82.315% * 89.7664% (0.72  10.0 10.00   4.61 124.29) =  99.096%  kept
          HB3   PRO   58 - QD1   ILE   56   6.60 +/- 0.86   7.606% *  8.6926% (0.85   1.0  1.00   1.65   0.02) =   0.887%  kept
          HB2   MET   92 - QD1   ILE   56  10.59 +/- 3.23   4.938% *  0.1164% (0.94   1.0  1.00   0.02   0.02) =   0.008%
        T HB3   GLN   30 - QD1   ILE   56  18.09 +/- 2.69   0.471% *  1.1642% (0.94   1.0 10.00   0.02   0.02) =   0.007%
          QB    LYS+ 106 - QD1   ILE   56  11.39 +/- 2.75   1.781% *  0.0401% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QD1   ILE   56  15.36 +/- 2.97   1.106% *  0.0363% (0.29   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - QD1   ILE   56  20.96 +/- 3.79   0.380% *  0.1053% (0.85   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QD1   ILE   56  15.15 +/- 3.12   0.959% *  0.0293% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   ILE   56  19.47 +/- 2.57   0.349% *  0.0232% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - QD1   ILE   56  29.12 +/- 4.23   0.095% *  0.0262% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2690 (3.46, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 1.75, residual support = 7.93:
        T HA    LYS+ 112 - QD1   ILE   56   5.11 +/- 2.73  52.157% * 99.8427% (0.79 10.00   1.75   7.93) =  99.950%  kept
          HB2   HIS  122 - QD1   ILE   56  10.78 +/- 2.28  17.909% *  0.0773% (0.54  1.00   0.02   0.02) =   0.027%
          HB    THR   46 - QD1   ILE   56   8.73 +/- 2.15  25.252% *  0.0421% (0.29  1.00   0.02   0.02) =   0.020%
          HB2   HIS   22 - QD1   ILE   56  17.75 +/- 4.33   4.683% *  0.0379% (0.26  1.00   0.02   0.02) =   0.003%
    Distance limit 3.24 A violated in 8 structures by 2.05 A, kept.
 
    Peak 2691 (4.46, 0.79, 15.02 ppm):
    6 chemical-shift based assignments, quality = 0.799, support = 3.31, residual support = 16.6:
          HA    PHE   55 - QD1   ILE   56   4.40 +/- 1.07  49.873% * 69.1708% (0.76   3.90  21.30) =  76.841%  kept
          HA    ALA  110 - QD1   ILE   56   8.16 +/- 4.09  34.526% * 30.0349% (0.94   1.37   1.08) =  23.098%  kept
          HA    VAL  107 - QD1   ILE   56   9.97 +/- 3.43   7.843% *  0.1662% (0.36   0.02   0.02) =   0.029%
          HA    GLN   90 - QD1   ILE   56  14.23 +/- 2.97   1.890% *  0.4190% (0.89   0.02   0.02) =   0.018%
          HA    ALA   91 - QD1   ILE   56  12.76 +/- 2.86   3.036% *  0.1104% (0.24   0.02   0.02) =   0.007%
          HA    VAL   42 - QD1   ILE   56  12.42 +/- 2.41   2.831% *  0.0986% (0.21   0.02   0.02) =   0.006%
    Distance limit 3.12 A violated in 0 structures by 0.64 A, kept.
 
    Peak 2692 (6.90, 0.79, 15.02 ppm):
    1 chemical-shift based assignment, quality = 0.821, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QD1   ILE   56  10.19 +/- 1.49 100.000% *100.0000% (0.82   0.02   0.02) = 100.000%  kept
    Distance limit 3.42 A violated in 20 structures by 6.76 A, eliminated.
    Peak unassigned.
 
    Peak 2693 (7.23, 0.79, 15.02 ppm):
    3 chemical-shift based assignments, quality = 0.294, support = 1.43, residual support = 21.8:
          HN    PHE   59 - QD1   ILE   56   3.90 +/- 0.80  90.113% * 92.5238% (0.29   1.44  21.89) =  99.569%  kept
          HN    HIS  122 - QD1   ILE   56  10.27 +/- 1.51   8.650% *  3.6219% (0.82   0.02   0.02) =   0.374%  kept
          HH2   TRP   87 - QD1   ILE   56  17.90 +/- 2.48   1.237% *  3.8544% (0.87   0.02   0.02) =   0.057%
    Distance limit 3.51 A violated in 1 structures by 0.55 A, kept.
 
    Peak 2694 (7.39, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.424, support = 4.54, residual support = 30.8:
          HN    ALA   57 - QD1   ILE   56   3.23 +/- 0.96  79.128% * 95.8429% (0.42   4.57  31.08) =  99.256%  kept
          HE21  GLN  116 - QD1   ILE   56   7.41 +/- 2.07  19.155% *  2.9040% (0.36   0.17   0.02) =   0.728%  kept
          HE21  GLN   90 - QD1   ILE   56  16.53 +/- 3.53   1.120% *  0.9022% (0.91   0.02   0.02) =   0.013%
          HD21  ASN   35 - QD1   ILE   56  22.96 +/- 3.79   0.597% *  0.3509% (0.36   0.02   0.02) =   0.003%
    Distance limit 3.87 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2695 (7.61, 0.79, 15.02 ppm):
    5 chemical-shift based assignments, quality = 0.259, support = 5.62, residual support = 114.7:
          HN    ILE   56 - QD1   ILE   56   2.98 +/- 1.03  76.368% * 66.1148% (0.24   6.00 124.29) =  92.073%  kept
          QE    PHE   60 - QD1   ILE   56   7.59 +/- 1.77  13.518% * 31.8638% (0.54   1.27   3.32) =   7.855%  kept
          HN    LEU   63 - QD1   ILE   56   7.67 +/- 1.47   8.552% *  0.3015% (0.32   0.02   0.02) =   0.047%
          HZ2   TRP   87 - QD1   ILE   56  17.45 +/- 2.31   0.804% *  0.8838% (0.95   0.02   0.02) =   0.013%
          HD21  ASN   28 - QD1   ILE   56  18.70 +/- 3.81   0.759% *  0.8361% (0.89   0.02   0.02) =   0.012%
    Distance limit 3.56 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2696 (8.51, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.497, support = 1.72, residual support = 7.9:
          HN    LYS+ 112 - QD1   ILE   56   6.57 +/- 2.77  62.314% * 97.3989% (0.50   1.72   7.93) =  99.534%  kept
          HN    ASP-  78 - QD1   ILE   56  14.29 +/- 3.07  11.058% *  1.3899% (0.61   0.02   0.02) =   0.252%  kept
          HN    VAL   75 - QD1   ILE   56  11.70 +/- 2.30  25.502% *  0.4783% (0.21   0.02   0.02) =   0.200%  kept
          HN    MET   11 - QD1   ILE   56  29.32 +/- 3.65   1.126% *  0.7329% (0.32   0.02   0.02) =   0.014%
    Distance limit 3.76 A violated in 12 structures by 2.31 A, kept.
 
    Peak 2697 (3.18, 1.72, 31.79 ppm):
    2 chemical-shift based assignments, quality = 0.376, support = 2.99, residual support = 21.8:
        T HB3   PHE   59 - QG1   ILE   56   3.15 +/- 0.64  85.166% * 98.7040% (0.38 10.00   3.00  21.89) =  99.772%  kept
          HB2   PHE   95 - QG1   ILE   56   8.75 +/- 3.23  14.834% *  1.2960% (0.57  1.00   0.17   0.44) =   0.228%  kept
    Distance limit 3.71 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2698 (3.35, 1.72, 31.79 ppm):
    6 chemical-shift based assignments, quality = 0.377, support = 2.64, residual support = 21.6:
        T HB2   PHE   59 - QG1   ILE   56   3.02 +/- 1.19  51.491% * 70.3480% (0.34 10.00   2.48  21.89) =  87.403%  kept
          QB    PHE   55 - QG1   ILE   56   4.98 +/- 0.77  19.458% * 24.8970% (0.61  1.00   3.98  21.30) =  11.689%  kept
          HB3   CYS   53 - QG1   ILE   56   6.47 +/- 1.61  14.981% *  1.8782% (0.90  1.00   0.20   0.02) =   0.679%  kept
          HD2   ARG+  54 - QG1   ILE   56   8.88 +/- 1.06   3.038% *  2.5854% (0.95  1.00   0.27   0.02) =   0.190%  kept
          HD3   PRO   93 - QG1   ILE   56   9.89 +/- 3.53  10.312% *  0.1498% (0.73  1.00   0.02   0.02) =   0.037%
          HD3   PRO   68 - QG1   ILE   56  13.83 +/- 2.04   0.720% *  0.1417% (0.69  1.00   0.02   0.02) =   0.002%
    Distance limit 4.13 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2699 (6.90, 1.72, 31.79 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QG1   ILE   56  10.35 +/- 1.40 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.99 A violated in 20 structures by 6.36 A, eliminated.
    Peak unassigned.
 
    Peak 2700 (7.21, 1.72, 31.79 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 2.84, residual support = 21.9:
          QD    PHE   59 - QG1   ILE   56   3.29 +/- 0.57  93.059% * 97.5101% (0.34   2.84  21.89) =  99.937%  kept
          HN    HIS  122 - QG1   ILE   56  10.44 +/- 1.64   4.980% *  0.8262% (0.41   0.02   0.02) =   0.045%
          HH2   TRP   87 - QG1   ILE   56  18.56 +/- 2.57   0.908% *  0.9782% (0.49   0.02   0.02) =   0.010%
          HD1   TRP   27 - QG1   ILE   56  18.51 +/- 3.22   1.053% *  0.6855% (0.34   0.02   0.02) =   0.008%
    Distance limit 3.75 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2701 (7.61, 4.38, 60.23 ppm):
    5 chemical-shift based assignments, quality = 0.25, support = 5.02, residual support = 124.1:
      O   HN    ILE   56 - HA    ILE   56   2.79 +/- 0.12  92.800% * 95.4644% (0.25  10.0   5.03 124.29) =  99.839%  kept
          QE    PHE   60 - HA    ILE   56   9.53 +/- 1.75   3.709% *  3.6600% (0.57   1.0   0.34   3.32) =   0.153%  kept
          HN    LEU   63 - HA    ILE   56   9.92 +/- 1.14   2.524% *  0.1306% (0.34   1.0   0.02   0.02) =   0.004%
          HD21  ASN   28 - HA    ILE   56  23.33 +/- 4.31   0.705% *  0.3622% (0.95   1.0   0.02   0.02) =   0.003%
          HZ2   TRP   87 - HA    ILE   56  22.12 +/- 3.07   0.263% *  0.3828% (1.00   1.0   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2702 (3.81, 1.64, 16.31 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.06, residual support = 25.4:
        T HD2   PRO   58 - QB    ALA   57   2.75 +/- 0.42  69.888% * 98.8080% (0.95 10.00   5.07  25.39) =  99.979%  kept
          HB2   CYS   53 - QB    ALA   57   6.14 +/- 2.45  29.234% *  0.0356% (0.34  1.00   0.02   0.02) =   0.015%
        T HA    VAL   83 - QB    ALA   57  18.19 +/- 3.47   0.397% *  1.0238% (0.98 10.00   0.02   0.02) =   0.006%
          HA    GLU- 100 - QB    ALA   57  21.29 +/- 2.18   0.189% *  0.1035% (0.99  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QB    ALA   57  20.49 +/- 3.22   0.291% *  0.0290% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2703 (7.44, 1.64, 16.31 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 4.84, residual support = 24.1:
      O   HN    ALA   57 - QB    ALA   57   2.65 +/- 0.43  89.073% * 98.4865% (0.18  10.0   4.84  24.15) =  99.973%  kept
          HE21  GLN  116 - QB    ALA   57  10.23 +/- 3.00   5.400% *  0.1252% (0.22   1.0   0.02   0.02) =   0.008%
          HN    ALA  120 - QB    ALA   57  11.38 +/- 1.68   1.979% *  0.3184% (0.57   1.0   0.02   0.02) =   0.007%
          HN    ALA  124 - QB    ALA   57  15.41 +/- 2.83   1.006% *  0.4697% (0.84   1.0   0.02   0.02) =   0.005%
          HN    LEU  123 - QB    ALA   57  12.99 +/- 2.45   1.959% *  0.1918% (0.34   1.0   0.02   0.02) =   0.004%
          HE21  GLN   17 - QB    ALA   57  17.94 +/- 4.13   0.583% *  0.4084% (0.73   1.0   0.02   0.02) =   0.003%
    Distance limit 2.91 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2704 (7.42, 4.26, 57.40 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 4.44, residual support = 24.1:
      O   HN    ALA   57 - HA    ALA   57   2.73 +/- 0.16  94.943% * 99.6015% (0.57  10.0   4.44  24.15) =  99.994%  kept
          HE21  GLN  116 - HA    ALA   57  11.43 +/- 3.19   2.798% *  0.1138% (0.65   1.0   0.02   0.02) =   0.003%
          HN    ALA  120 - HA    ALA   57  12.59 +/- 1.67   1.398% *  0.1698% (0.97   1.0   0.02   0.02) =   0.003%
          HN    ALA  124 - HA    ALA   57  17.78 +/- 2.45   0.474% *  0.0660% (0.38   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   57  20.66 +/- 4.40   0.387% *  0.0489% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2705 (1.65, 4.26, 57.40 ppm):
    12 chemical-shift based assignments, quality = 0.526, support = 2.81, residual support = 24.1:
      O T QB    ALA   57 - HA    ALA   57   2.13 +/- 0.01  80.679% * 98.9094% (0.53  10.0 10.00   2.81  24.15) =  99.987%  kept
          HG3   PRO   93 - HA    ALA   57  10.65 +/- 5.00  15.359% *  0.0329% (0.18   1.0  1.00   0.02   0.02) =   0.006%
          HD2   LYS+  74 - HA    ALA   57  12.45 +/- 3.62   1.014% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  65 - HA    ALA   57  11.12 +/- 2.10   0.834% *  0.1686% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 121 - HA    ALA   57  13.73 +/- 1.93   0.560% *  0.1735% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HA    ALA   57  15.51 +/- 3.58   0.453% *  0.0915% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    ALA   57  19.62 +/- 3.81   0.142% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    ALA   57  22.30 +/- 4.51   0.148% *  0.1291% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    ALA   57  16.03 +/- 2.43   0.272% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    ALA   57  15.35 +/- 2.12   0.310% *  0.0290% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    ALA   57  21.04 +/- 3.16   0.132% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    ALA   57  22.30 +/- 3.16   0.097% *  0.0580% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2706 (8.06, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.613, support = 0.02, residual support = 0.02:
          HN    GLN   32 - HB2   PRO   58  23.98 +/- 3.81  11.513% * 37.3861% (1.00   0.02   0.02) =  31.315%  kept
          HN    SER   85 - HB2   PRO   58  23.12 +/- 4.10  10.261% * 29.9364% (0.80   0.02   0.02) =  22.350%  kept
          HN    CYS   53 - HB2   PRO   58  11.64 +/- 2.51  53.088% *  5.7685% (0.15   0.02   0.02) =  22.281%  kept
          HN    LEU   80 - HB2   PRO   58  19.84 +/- 4.15  14.554% * 11.5391% (0.31   0.02   0.02) =  12.218%  kept
          HN    ALA   34 - HB2   PRO   58  22.98 +/- 2.93  10.584% * 15.3699% (0.41   0.02   0.02) =  11.836%  kept
    Distance limit 4.00 A violated in 20 structures by 7.25 A, eliminated.
    Peak unassigned.
 
    Peak 2707 (7.26, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.613, support = 6.15, residual support = 39.9:
      O   HN    PHE   59 - HB3   PRO   58   4.07 +/- 0.33  61.853% * 89.1444% (0.61  10.0   6.29  39.97) =  96.878%  kept
          QE    PHE   59 - HB3   PRO   58   7.21 +/- 1.29  16.826% * 10.1536% (0.83   1.0   1.67  39.97) =   3.002%  kept
          QD    PHE   60 - HB3   PRO   58   7.59 +/- 0.86  11.113% *  0.5649% (0.23   1.0   0.33   0.02) =   0.110%  kept
          HN    LYS+  66 - HB3   PRO   58  11.28 +/- 2.42   4.271% *  0.0938% (0.64   1.0   0.02   0.02) =   0.007%
          HN    HIS  122 - HB3   PRO   58  12.48 +/- 2.54   5.179% *  0.0243% (0.17   1.0   0.02   0.02) =   0.002%
          HH2   TRP   87 - HB3   PRO   58  23.22 +/- 3.55   0.758% *  0.0189% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2708 (3.81, 1.98, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.39, residual support = 147.9:
      O   HD2   PRO   58 - HG3   PRO   58   2.61 +/- 0.28  91.596% * 99.7269% (0.95  10.0   5.39 147.90) =  99.996%  kept
          HB2   CYS   53 - HG3   PRO   58   9.52 +/- 3.15   7.934% *  0.0360% (0.34   1.0   0.02   0.02) =   0.003%
          HA    VAL   83 - HG3   PRO   58  24.21 +/- 4.18   0.220% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   58  26.81 +/- 3.11   0.108% *  0.1045% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   58  25.89 +/- 3.58   0.142% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2709 (4.42, 1.98, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 4.5, residual support = 147.9:
      O   HA    PRO   58 - HG3   PRO   58   3.88 +/- 0.02  81.737% * 99.2991% (0.76  10.0   4.50 147.90) =  99.974%  kept
          HA    THR   46 - HG3   PRO   58  13.13 +/- 4.20  14.277% *  0.1254% (0.97   1.0   0.02   0.02) =   0.022%
          HA    GLN   17 - HG3   PRO   58  20.46 +/- 4.40   0.820% *  0.1199% (0.92   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HG3   PRO   58  17.13 +/- 2.74   1.469% *  0.0488% (0.38   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HG3   PRO   58  20.94 +/- 3.50   0.824% *  0.0788% (0.61   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HG3   PRO   58  24.91 +/- 3.74   0.373% *  0.1040% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   58  27.58 +/- 3.07   0.274% *  0.1199% (0.92   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   58  29.11 +/- 4.16   0.227% *  0.1040% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2710 (7.42, 3.81, 50.93 ppm):
    5 chemical-shift based assignments, quality = 0.535, support = 5.64, residual support = 25.4:
          HN    ALA   57 - HD2   PRO   58   2.04 +/- 0.73  81.700% * 98.6018% (0.54   5.64  25.39) =  99.906%  kept
          HE21  GLN  116 - HD2   PRO   58  10.07 +/- 3.24  15.261% *  0.3993% (0.61   0.02   0.02) =   0.076%
          HN    ALA  120 - HD2   PRO   58  11.56 +/- 1.84   2.253% *  0.5957% (0.91   0.02   0.02) =   0.017%
          HN    ALA  124 - HD2   PRO   58  16.62 +/- 2.68   0.600% *  0.2316% (0.36   0.02   0.02) =   0.002%
          HE21  GLN   17 - HD2   PRO   58  21.68 +/- 4.55   0.186% *  0.1716% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2711 (4.42, 3.72, 50.93 ppm):
    16 chemical-shift based assignments, quality = 0.723, support = 6.52, residual support = 147.9:
      O   HA    PRO   58 - HD3   PRO   58   3.86 +/- 0.09  65.834% * 99.2639% (0.72  10.0   6.52 147.90) =  99.979%  kept
          HA    THR   46 - HD3   PRO   58  11.88 +/- 3.67   7.675% *  0.1254% (0.91   1.0   0.02   0.02) =   0.015%
          HA    GLN   17 - HD3   PRO   58  19.98 +/- 4.07   0.692% *  0.1199% (0.87   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HD3   PRO   58  15.97 +/- 2.66   1.336% *  0.0487% (0.36   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HD3   PRO   58  19.90 +/- 3.53   0.785% *  0.0788% (0.57   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HD2   PRO   68  11.69 +/- 5.17   7.843% *  0.0053% (0.04   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HD3   PRO   58  24.45 +/- 3.51   0.314% *  0.1040% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD3   PRO   58  26.81 +/- 3.31   0.251% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD3   PRO   58  28.86 +/- 3.86   0.180% *  0.1040% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   68  11.15 +/- 1.99   4.971% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   68  15.35 +/- 4.08   1.829% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD2   PRO   68  11.93 +/- 3.21   3.811% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   68  15.77 +/- 2.46   1.330% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HD2   PRO   68  14.43 +/- 1.78   1.556% *  0.0044% (0.03   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HD2   PRO   68  17.78 +/- 2.88   0.951% *  0.0055% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   68  20.15 +/- 4.46   0.645% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2712 (7.42, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.535, support = 4.0, residual support = 25.4:
          HN    ALA   57 - HD3   PRO   58   2.60 +/- 0.79  78.183% * 97.9325% (0.54   4.00  25.39) =  99.867%  kept
          HE21  GLN  116 - HD3   PRO   58  10.34 +/- 3.49  14.348% *  0.5594% (0.61   0.02   0.02) =   0.105%  kept
          HN    ALA  120 - HD3   PRO   58  11.80 +/- 1.48   2.042% *  0.8346% (0.91   0.02   0.02) =   0.022%
          HN    ALA  124 - HD3   PRO   58  16.61 +/- 2.76   0.921% *  0.3246% (0.36   0.02   0.02) =   0.004%
          HE21  GLN   17 - HD3   PRO   58  21.72 +/- 4.58   0.311% *  0.2404% (0.26   0.02   0.02) =   0.001%
          HN    ALA  120 - HD2   PRO   68  16.35 +/- 4.82   0.963% *  0.0369% (0.04   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   68  17.40 +/- 6.95   1.365% *  0.0144% (0.02   0.02   0.02) =   0.000%
          HN    ALA   57 - HD2   PRO   68  16.26 +/- 1.67   0.530% *  0.0217% (0.02   0.02   0.02) =   0.000%
          HE21  GLN  116 - HD2   PRO   68  17.67 +/- 3.24   0.406% *  0.0248% (0.03   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   68  14.83 +/- 4.65   0.932% *  0.0106% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2713 (1.64, 3.72, 50.93 ppm):
    18 chemical-shift based assignments, quality = 0.873, support = 3.3, residual support = 25.4:
          QB    ALA   57 - HD3   PRO   58   2.55 +/- 0.85  77.967% * 96.7335% (0.87   3.30  25.39) =  99.951%  kept
          HD2   LYS+  74 - HD3   PRO   58  14.10 +/- 3.58   1.614% *  0.6298% (0.94   0.02   0.02) =   0.013%
          QD    LYS+  65 - HD3   PRO   58  11.12 +/- 2.43   3.046% *  0.3093% (0.46   0.02   0.02) =   0.012%
          HD3   LYS+ 111 - HD3   PRO   58  15.74 +/- 3.11   1.018% *  0.5698% (0.85   0.02   0.02) =   0.008%
          HB2   LYS+ 121 - HD3   PRO   58  13.36 +/- 1.88   0.993% *  0.3343% (0.50   0.02   0.02) =   0.004%
          HB3   LEU  123 - HD3   PRO   58  14.84 +/- 2.70   0.758% *  0.4110% (0.61   0.02   0.02) =   0.004%
          QD    LYS+  33 - HD3   PRO   58  22.59 +/- 2.74   0.310% *  0.4110% (0.61   0.02   0.02) =   0.002%
          HB    VAL   83 - HD3   PRO   58  21.61 +/- 3.73   0.475% *  0.2612% (0.39   0.02   0.02) =   0.002%
          QD    LYS+  65 - HD2   PRO   68   9.48 +/- 0.90   2.869% *  0.0137% (0.02   0.02   0.02) =   0.001%
          QD    LYS+  38 - HD3   PRO   58  23.92 +/- 4.49   0.202% *  0.1767% (0.26   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   68  17.14 +/- 5.82   1.755% *  0.0182% (0.03   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   68  15.72 +/- 5.69   1.926% *  0.0148% (0.02   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   PRO   68  13.19 +/- 2.66   1.020% *  0.0279% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   PRO   68  14.86 +/- 3.56   3.525% *  0.0078% (0.01   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   PRO   68  14.44 +/- 1.65   0.958% *  0.0260% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   68  15.44 +/- 3.12   1.119% *  0.0182% (0.03   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   68  23.96 +/- 4.54   0.206% *  0.0252% (0.04   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   PRO   68  21.98 +/- 2.70   0.239% *  0.0116% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2714 (1.64, 3.81, 50.93 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 5.06, residual support = 25.4:
        T QB    ALA   57 - HD2   PRO   58   2.75 +/- 0.42  92.343% * 97.4262% (0.87 10.00   5.07  25.39) =  99.963%  kept
        T HD2   LYS+  74 - HD2   PRO   58  13.87 +/- 3.40   1.586% *  1.0461% (0.94 10.00   0.02   0.02) =   0.018%
        T QD    LYS+  65 - HD2   PRO   58  10.88 +/- 2.11   2.485% *  0.5137% (0.46 10.00   0.02   0.02) =   0.014%
        T HB    VAL   83 - HD2   PRO   58  21.33 +/- 3.58   0.322% *  0.4339% (0.39 10.00   0.02   0.02) =   0.002%
          HD3   LYS+ 111 - HD2   PRO   58  15.32 +/- 2.68   0.743% *  0.0947% (0.85  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HD2   PRO   58  13.23 +/- 2.11   1.171% *  0.0555% (0.50  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HD2   PRO   58  23.96 +/- 4.33   0.221% *  0.2934% (0.26 10.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HD2   PRO   58  14.78 +/- 2.72   0.913% *  0.0683% (0.61  1.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - HD2   PRO   58  22.59 +/- 2.59   0.217% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2715 (3.81, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.895, support = 7.7, residual support = 147.9:
      O T HD2   PRO   58 - HD3   PRO   58   1.75 +/- 0.00  96.023% * 99.6708% (0.89  10.0 10.00   7.70 147.90) =  99.999%  kept
          HB2   CYS   53 - HD3   PRO   58   8.33 +/- 2.44   2.598% *  0.0359% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   83 - HD3   PRO   58  23.13 +/- 3.59   0.065% *  0.1033% (0.93   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   PRO   68  16.63 +/- 1.59   0.124% *  0.0441% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD3   PRO   58  25.86 +/- 2.74   0.034% *  0.1044% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   58  24.92 +/- 3.62   0.046% *  0.0293% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD2   PRO   68  15.08 +/- 2.83   0.824% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD2   PRO   68  19.93 +/- 5.87   0.123% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   PRO   68  23.68 +/- 2.75   0.045% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HD2   PRO   68  18.48 +/- 2.99   0.116% *  0.0016% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2716 (3.72, 3.81, 50.93 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 7.7, residual support = 147.9:
      O T HD3   PRO   58 - HD2   PRO   58   1.75 +/- 0.00  98.774% * 99.5891% (0.95  10.0 10.00   7.70 147.90) =  99.999%  kept
          HA    ALA   61 - HD2   PRO   58   8.78 +/- 0.71   0.843% *  0.0446% (0.42   1.0  1.00   0.02   0.86) =   0.000%
        T HD2   PRO   68 - HD2   PRO   58  16.63 +/- 1.59   0.128% *  0.2769% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   PRO   58  15.15 +/- 2.91   0.256% *  0.0893% (0.85   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2717 (7.24, 3.81, 50.93 ppm):
    4 chemical-shift based assignments, quality = 0.679, support = 6.55, residual support = 40.0:
          HN    PHE   59 - HD2   PRO   58   2.87 +/- 0.67  85.621% * 86.2527% (0.69   6.65  39.97) =  97.846%  kept
          QE    PHE   59 - HD2   PRO   58   6.51 +/- 1.51  12.396% * 13.0587% (0.32   2.14  39.97) =   2.145%  kept
          HN    HIS  122 - HD2   PRO   58  12.66 +/- 2.44   1.330% *  0.3504% (0.93   0.02   0.02) =   0.006%
          HH2   TRP   87 - HD2   PRO   58  22.40 +/- 3.34   0.653% *  0.3382% (0.89   0.02   0.02) =   0.003%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2718 (1.74, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 3.0, residual support = 21.9:
        T QG1   ILE   56 - HB3   PHE   59   3.15 +/- 0.64  98.210% * 99.6917% (0.53 10.00   3.00  21.89) =  99.997%  kept
          HB    ILE   89 - HB3   PHE   59  16.70 +/- 2.46   1.059% *  0.1857% (0.98  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  99 - HB3   PHE   59  19.69 +/- 3.46   0.731% *  0.1226% (0.65  1.00   0.02   0.02) =   0.001%
    Distance limit 3.69 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2719 (2.43, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.531, support = 0.592, residual support = 5.0:
          HB3   ASP-  62 - HB3   PHE   59   5.14 +/- 1.25  45.620% * 56.7395% (0.45   0.75   6.50) =  72.101%  kept
          QE    LYS+ 112 - HB3   PHE   59   7.10 +/- 2.71  32.680% * 26.2057% (0.80   0.19   1.26) =  23.855%  kept
          HB    VAL  107 - HB3   PHE   59   9.89 +/- 3.67  15.753% *  8.1680% (0.38   0.13   0.38) =   3.584%  kept
          HB3   PHE   45 - HB3   PHE   59  11.71 +/- 2.11   4.819% *  2.7024% (0.80   0.02   0.02) =   0.363%  kept
          HG2   GLU-  29 - HB3   PHE   59  25.82 +/- 4.00   0.581% *  3.2570% (0.97   0.02   0.02) =   0.053%
          HB3   ASP-  86 - HB3   PHE   59  22.08 +/- 2.41   0.548% *  2.9274% (0.87   0.02   0.02) =   0.045%
    Distance limit 3.98 A violated in 0 structures by 0.35 A, kept.
 
    Peak 2720 (1.75, 3.32, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 2.48, residual support = 21.9:
        T QG1   ILE   56 - HB2   PHE   59   3.02 +/- 1.19  90.696% * 99.0024% (0.18 10.00   2.48  21.89) =  99.980%  kept
          HB    VAL   43 - HB2   PHE   59  13.61 +/- 2.60   3.059% *  0.1928% (0.34  1.00   0.02   0.02) =   0.007%
          HB    ILE   89 - HB2   PHE   59  17.14 +/- 2.61   1.590% *  0.3657% (0.65  1.00   0.02   0.02) =   0.006%
          HB2   LYS+  99 - HB2   PHE   59  18.82 +/- 3.70   2.124% *  0.1410% (0.25  1.00   0.02   0.02) =   0.003%
          HB3   LYS+  99 - HB2   PHE   59  19.76 +/- 3.75   1.765% *  0.1410% (0.25  1.00   0.02   0.02) =   0.003%
          QD    LYS+  81 - HB2   PHE   59  19.64 +/- 2.20   0.766% *  0.1572% (0.28  1.00   0.02   0.02) =   0.001%
    Distance limit 3.74 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2721 (7.23, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 4.97, residual support = 57.9:
      O   HN    PHE   59 - HB3   PHE   59   2.65 +/- 0.62  96.752% * 99.4232% (0.31  10.0   4.97  57.86) =  99.991%  kept
          HN    HIS  122 - HB3   PHE   59   9.97 +/- 0.72   2.894% *  0.2794% (0.87   1.0   0.02   0.02) =   0.008%
          HH2   TRP   87 - HB3   PHE   59  20.34 +/- 2.26   0.354% *  0.2974% (0.92   1.0   0.02   0.02) =   0.001%
    Distance limit 3.13 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2723 (7.25, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 0.996, support = 4.3, residual support = 57.9:
      O   HN    PHE   59 - HB2   PHE   59   2.63 +/- 0.53  76.142% * 93.3116% (1.00  10.0   4.35  57.86) =  98.242%  kept
          QE    PHE   59 - HB2   PHE   59   4.49 +/- 0.04  19.368% *  6.5539% (0.80   1.0   1.75  57.86) =   1.755%  kept
          HN    HIS  122 - HB2   PHE   59   9.67 +/- 0.81   2.073% *  0.0566% (0.61   1.0   0.02   0.02) =   0.002%
          HN    LYS+  66 - HB2   PHE   59  10.23 +/- 1.21   2.152% *  0.0288% (0.31   1.0   0.02   0.02) =   0.001%
          HH2   TRP   87 - HB2   PHE   59  20.74 +/- 2.43   0.264% *  0.0491% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2724 (2.65, 4.35, 60.90 ppm):
    3 chemical-shift based assignments, quality = 0.99, support = 1.5, residual support = 6.49:
          HB2   ASP-  62 - HA    PHE   59   3.49 +/- 0.81  94.868% * 97.0773% (0.99  1.00   1.50   6.50) =  99.914%  kept
        T QB    ASP- 113 - HA    PHE   59  12.04 +/- 1.20   2.799% *  2.2871% (0.18 10.00   0.02   0.02) =   0.069%
          HB2   PRO   52 - HA    PHE   59  13.37 +/- 1.73   2.334% *  0.6357% (0.49  1.00   0.02   0.02) =   0.016%
    Distance limit 3.64 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2725 (2.48, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.176, support = 2.94, residual support = 6.46:
          HB3   ASP-  62 - HA    PHE   59   3.43 +/- 1.32  80.604% * 85.4423% (0.18  1.00   2.96   6.50) =  99.475%  kept
          HG3   GLN  116 - HA    PHE   59   8.93 +/- 1.87  14.606% *  1.1256% (0.34  1.00   0.02   0.39) =   0.237%  kept
        T HB3   TRP   87 - HA    PHE   59  18.75 +/- 3.12   1.499% *  9.1744% (0.28 10.00   0.02   0.02) =   0.199%  kept
          HG3   MET   96 - HA    PHE   59  15.99 +/- 2.34   2.756% *  1.7360% (0.53  1.00   0.02   0.02) =   0.069%
          HG2   GLU-  36 - HA    PHE   59  25.48 +/- 3.27   0.536% *  2.5217% (0.76  1.00   0.02   0.02) =   0.020%
    Distance limit 3.88 A violated in 1 structures by 0.40 A, kept.
 
    Peak 2726 (7.25, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 4.9, residual support = 57.9:
      O   HN    PHE   59 - HA    PHE   59   2.75 +/- 0.06  77.446% * 92.6553% (1.00  10.0   4.95  57.86) =  98.331%  kept
          QE    PHE   59 - HA    PHE   59   4.75 +/- 0.49  16.863% *  7.2112% (0.80   1.0   1.94  57.86) =   1.666%  kept
          HN    HIS  122 - HA    PHE   59   9.61 +/- 1.11   2.121% *  0.0562% (0.61   1.0   0.02   0.02) =   0.002%
          HN    LYS+  66 - HA    PHE   59   8.71 +/- 1.59   3.357% *  0.0286% (0.31   1.0   0.02   0.02) =   0.001%
          HH2   TRP   87 - HA    PHE   59  20.81 +/- 2.41   0.213% *  0.0487% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2727 (8.20, 3.16, 39.73 ppm):
    4 chemical-shift based assignments, quality = 0.606, support = 4.02, residual support = 19.9:
          HN    PHE   60 - HB3   PHE   59   3.42 +/- 0.56  71.312% * 98.7620% (0.61   4.03  19.93) =  99.901%  kept
          HN    THR  118 - HB3   PHE   59   7.77 +/- 1.23  16.827% *  0.3036% (0.38   0.02  12.80) =   0.072%
          HN    GLN  116 - HB3   PHE   59   6.86 +/- 1.17  11.551% *  0.1417% (0.18   0.02   0.39) =   0.023%
          HN    GLU-  15 - HB3   PHE   59  23.51 +/- 3.67   0.310% *  0.7928% (0.98   0.02   0.02) =   0.003%
    Distance limit 3.83 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2729 (7.28, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.981, support = 3.9, residual support = 71.2:
          QD    PHE   60 - HA    PHE   60   2.69 +/- 0.63  75.804% * 91.3082% (1.00   3.95  72.41) =  97.766%  kept
          QE    PHE   59 - HA    PHE   60   6.09 +/- 1.77  19.617% *  7.9850% (0.25   1.38  19.93) =   2.213%  kept
          HN    LYS+  66 - HA    PHE   60   7.87 +/- 0.48   4.292% *  0.3361% (0.73   0.02   0.02) =   0.020%
          HN    LYS+  81 - HA    PHE   60  18.85 +/- 2.66   0.287% *  0.3707% (0.80   0.02   0.02) =   0.002%
    Distance limit 3.19 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2730 (8.20, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.91, residual support = 72.4:
      O   HN    PHE   60 - HA    PHE   60   2.78 +/- 0.09  93.169% * 99.7483% (0.61  10.0   4.91  72.41) =  99.996%  kept
          HN    THR  118 - HA    PHE   60   9.90 +/- 2.11   3.361% *  0.0617% (0.38   1.0   0.02   0.02) =   0.002%
          HN    GLN  116 - HA    PHE   60   9.95 +/- 1.92   3.164% *  0.0288% (0.18   1.0   0.02   0.02) =   0.001%
          HN    GLU-  15 - HA    PHE   60  20.28 +/- 3.28   0.305% *  0.1612% (0.98   1.0   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2731 (7.73, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.835, support = 5.0, residual support = 41.4:
      O   HN    ALA   61 - HA    PHE   60   3.62 +/- 0.03  93.429% * 99.5823% (0.84  10.0   5.00  41.42) =  99.995%  kept
          HN    TRP   27 - HA    PHE   60  17.23 +/- 2.94   1.326% *  0.1182% (0.99   1.0   0.02   0.02) =   0.002%
          HN    ALA   91 - HA    PHE   60  16.16 +/- 2.50   1.433% *  0.1069% (0.90   1.0   0.02   0.02) =   0.002%
          HN    THR   39 - HA    PHE   60  17.33 +/- 2.37   1.117% *  0.0580% (0.49   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HA    PHE   60  17.14 +/- 2.16   1.099% *  0.0535% (0.45   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HA    PHE   60  17.87 +/- 2.21   0.925% *  0.0627% (0.53   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    PHE   60  20.76 +/- 2.65   0.672% *  0.0184% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2732 (4.29, 3.40, 40.02 ppm):
    12 chemical-shift based assignments, quality = 0.761, support = 0.668, residual support = 1.65:
          HA    ASP-  44 - HB2   PHE   60   7.76 +/- 2.81  27.062% * 71.9504% (1.00   0.64   2.23) =  71.520%  kept
          HA    ALA   57 - HB2   PHE   60   4.46 +/- 1.10  58.016% * 12.9611% (0.15   0.75   0.19) =  27.620%  kept
          HB    THR   77 - HB2   PHE   60  14.02 +/- 3.86   4.041% *  2.1957% (0.98   0.02   0.02) =   0.326%  kept
          HA    ILE  103 - HB2   PHE   60  16.91 +/- 2.86   1.569% *  2.0678% (0.92   0.02   0.02) =   0.119%  kept
          HA    SER   85 - HB2   PHE   60  19.83 +/- 3.25   1.044% *  2.1957% (0.98   0.02   0.02) =   0.084%
          HA    GLU-  79 - HB2   PHE   60  16.76 +/- 3.37   1.769% *  1.2682% (0.57   0.02   0.02) =   0.082%
          HA1   GLY   51 - HB2   PHE   60  13.96 +/- 1.85   2.336% *  0.8407% (0.38   0.02   0.02) =   0.072%
          HA    THR   39 - HB2   PHE   60  16.83 +/- 2.97   1.791% *  1.0904% (0.49   0.02   0.02) =   0.072%
          HA    GLU-  14 - HB2   PHE   60  22.49 +/- 3.69   0.899% *  0.9209% (0.41   0.02   0.02) =   0.030%
          HA    ASP-  86 - HB2   PHE   60  21.45 +/- 2.77   0.676% *  1.0904% (0.49   0.02   0.02) =   0.027%
          HA    MET   11 - HB2   PHE   60  29.41 +/- 3.84   0.321% *  2.2401% (1.00   0.02   0.02) =   0.026%
          HA    ALA   12 - HB2   PHE   60  26.96 +/- 3.49   0.476% *  1.1785% (0.53   0.02   0.02) =   0.021%
    Distance limit 3.95 A violated in 1 structures by 0.50 A, kept.
 
    Peak 2733 (7.30, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 3.76, residual support = 72.4:
      O   QD    PHE   60 - HB2   PHE   60   2.59 +/- 0.16  93.820% * 99.7759% (0.76  10.0   3.76  72.41) =  99.998%  kept
          HN    LYS+  66 - HB2   PHE   60   9.60 +/- 0.65   2.000% *  0.0363% (0.28   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - HB2   PHE   60   9.70 +/- 1.62   2.530% *  0.0258% (0.20   1.0   0.02   0.02) =   0.001%
          HN    LYS+  81 - HB2   PHE   60  18.24 +/- 3.46   0.406% *  0.1294% (0.99   1.0   0.02   0.02) =   0.001%
          HE3   TRP   27 - HB2   PHE   60  13.47 +/- 2.46   1.245% *  0.0326% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2734 (7.74, 3.40, 40.02 ppm):
    8 chemical-shift based assignments, quality = 0.375, support = 4.87, residual support = 41.4:
          HN    ALA   61 - HB2   PHE   60   2.88 +/- 0.60  93.684% * 95.7138% (0.38   4.87  41.42) =  99.957%  kept
          HD1   TRP   87 - HB2   PHE   60  16.77 +/- 2.85   1.080% *  0.9397% (0.90   0.02   0.02) =   0.011%
          HN    ALA   91 - HB2   PHE   60  15.40 +/- 3.77   2.117% *  0.4698% (0.45   0.02   0.02) =   0.011%
          HN    TRP   27 - HB2   PHE   60  16.97 +/- 2.73   0.851% *  0.8390% (0.80   0.02   0.02) =   0.008%
          HN    THR   39 - HB2   PHE   60  18.00 +/- 2.81   0.643% *  0.9673% (0.92   0.02   0.02) =   0.007%
          HN    GLU-  36 - HB2   PHE   60  21.16 +/- 2.99   0.481% *  0.5513% (0.53   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HB2   PHE   60  20.43 +/- 2.59   0.381% *  0.3574% (0.34   0.02   0.02) =   0.002%
          HE3   TRP   87 - HB2   PHE   60  17.72 +/- 2.75   0.763% *  0.1617% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2735 (8.20, 3.40, 40.02 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.78, residual support = 72.4:
      O   HN    PHE   60 - HB2   PHE   60   2.43 +/- 0.39  96.077% * 99.7483% (0.61  10.0   4.78  72.41) =  99.998%  kept
          HN    THR  118 - HB2   PHE   60  10.76 +/- 2.05   1.794% *  0.0617% (0.38   1.0   0.02   0.02) =   0.001%
          HN    GLN  116 - HB2   PHE   60  10.52 +/- 1.93   1.930% *  0.0288% (0.18   1.0   0.02   0.02) =   0.001%
          HN    GLU-  15 - HB2   PHE   60  20.95 +/- 3.59   0.199% *  0.1612% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2736 (0.58, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.993, support = 2.9, residual support = 10.1:
        T QD1   LEU   63 - HA    PHE   60   2.95 +/- 1.38  54.952% * 76.6949% (1.00 10.00   3.09  10.61) =  92.193%  kept
        T QD1   LEU   73 - HA    PHE   60  10.63 +/- 2.90  16.246% * 16.7458% (1.00 10.00   0.44   2.22) =   5.951%  kept
          QD2   LEU   63 - HA    PHE   60   4.67 +/- 0.91  15.076% *  4.2887% (0.57  1.00   1.98  10.61) =   1.414%  kept
          QD2   LEU  115 - HA    PHE   60   6.20 +/- 1.63  11.075% *  1.7616% (0.84  1.00   0.55   0.02) =   0.427%  kept
        T QD1   LEU  104 - HA    PHE   60  12.84 +/- 3.06   1.463% *  0.4342% (0.57 10.00   0.02   0.02) =   0.014%
          QD2   LEU   80 - HA    PHE   60  15.31 +/- 3.16   0.646% *  0.0614% (0.80  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HA    PHE   60  15.77 +/- 2.24   0.542% *  0.0134% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2737 (1.35, 3.92, 62.21 ppm):
    15 chemical-shift based assignments, quality = 0.922, support = 1.5, residual support = 10.6:
        T HB2   LEU   63 - HA    PHE   60   3.28 +/- 0.72  55.767% * 98.7435% (0.92 10.00   1.50  10.61) =  99.908%  kept
          HB3   ASP-  44 - HA    PHE   60   7.08 +/- 2.66  18.970% *  0.1398% (0.98  1.00   0.02   2.23) =   0.048%
          HB3   LEU   73 - HA    PHE   60  11.22 +/- 2.82   9.097% *  0.0965% (0.15  1.00   0.09   2.22) =   0.016%
          HB3   PRO   93 - HA    PHE   60  10.37 +/- 2.69   6.024% *  0.1237% (0.87  1.00   0.02   0.02) =   0.014%
          QB    ALA  124 - HA    PHE   60  14.67 +/- 1.77   0.914% *  0.1423% (1.00  1.00   0.02   0.02) =   0.002%
          QB    ALA   84 - HA    PHE   60  14.31 +/- 1.98   1.005% *  0.1279% (0.90  1.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - HA    PHE   60  18.15 +/- 3.27   1.207% *  0.0980% (0.69  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HA    PHE   60  15.99 +/- 2.84   0.674% *  0.1376% (0.97  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HA    PHE   60  11.65 +/- 2.30   2.681% *  0.0318% (0.22  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HA    PHE   60  15.49 +/- 1.67   0.753% *  0.0865% (0.61  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    PHE   60  17.38 +/- 3.54   0.527% *  0.1191% (0.84  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    PHE   60  14.01 +/- 2.65   1.242% *  0.0440% (0.31  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HA    PHE   60  18.68 +/- 3.17   0.442% *  0.0487% (0.34  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    PHE   60  20.28 +/- 2.83   0.478% *  0.0356% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   60  22.35 +/- 2.66   0.219% *  0.0250% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2739 (0.77, 3.74, 54.57 ppm):
    7 chemical-shift based assignments, quality = 0.432, support = 0.844, residual support = 0.688:
        T QG2   VAL   18 - HA    ALA   61   7.49 +/- 3.71  25.757% * 59.6571% (0.34 10.00   0.91   0.76) =  74.218%  kept
          QD2   LEU   73 - HA    ALA   61   7.81 +/- 1.90  20.114% *  9.7123% (0.87  1.00   0.58   0.12) =   9.436%  kept
          QD1   ILE   56 - HA    ALA   61   8.49 +/- 1.54  14.244% * 12.7884% (0.61  1.00   1.10   1.22) =   8.798%  kept
        T QG1   VAL   41 - HA    ALA   61  11.22 +/- 1.93   6.784% * 14.7677% (0.76 10.00   0.10   0.02) =   4.839%  kept
          QG2   THR   46 - HA    ALA   61   8.38 +/- 3.10  21.365% *  2.4855% (0.25  1.00   0.52   0.02) =   2.565%  kept
          QG1   VAL   43 - HA    ALA   61   9.64 +/- 1.85   8.897% *  0.2178% (0.57  1.00   0.02   0.02) =   0.094%
          HG    LEU   31 - HA    ALA   61  14.79 +/- 3.02   2.838% *  0.3712% (0.97  1.00   0.02   0.02) =   0.051%
    Distance limit 2.99 A violated in 9 structures by 1.57 A, kept.
 
    Peak 2740 (0.42, 3.74, 54.57 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.28, residual support = 6.17:
        T QB    ALA   64 - HA    ALA   61   3.24 +/- 0.56  76.344% * 98.7496% (0.34 10.00   2.29   6.18) =  99.736%  kept
        T QG1   VAL   75 - HA    ALA   61   7.98 +/- 2.57  17.448% *  1.0865% (0.38 10.00   0.02   0.02) =   0.251%  kept
          QD1   LEU  115 - HA    ALA   61   9.05 +/- 1.43   6.208% *  0.1639% (0.57  1.00   0.02   0.02) =   0.013%
    Distance limit 3.38 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2741 (6.47, 3.74, 54.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 0.75, residual support = 6.18:
          HN    ALA   64 - HA    ALA   61   3.56 +/- 0.31 100.000% *100.0000% (0.84   0.75   6.18) = 100.000%  kept
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2742 (7.74, 3.74, 54.57 ppm):
    8 chemical-shift based assignments, quality = 0.375, support = 2.75, residual support = 17.9:
      O   HN    ALA   61 - HA    ALA   61   2.78 +/- 0.06  96.407% * 98.9218% (0.38  10.0   2.75  17.90) =  99.994%  kept
          HN    TRP   27 - HA    ALA   61  15.10 +/- 2.41   0.904% *  0.2111% (0.80   1.0   0.02   0.02) =   0.002%
          HN    THR   39 - HA    ALA   61  16.45 +/- 2.35   0.596% *  0.2433% (0.92   1.0   0.02   0.02) =   0.002%
          HD1   TRP   87 - HA    ALA   61  17.15 +/- 2.60   0.497% *  0.2364% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - HA    ALA   61  17.16 +/- 2.82   0.535% *  0.1182% (0.45   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    ALA   61  19.47 +/- 2.56   0.348% *  0.1387% (0.53   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HA    ALA   61  20.75 +/- 2.85   0.289% *  0.0899% (0.34   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ALA   61  18.14 +/- 2.74   0.423% *  0.0407% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2743 (7.27, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.721, support = 3.74, residual support = 71.4:
      O   QD    PHE   60 - HB3   PHE   60   2.43 +/- 0.15  76.341% * 87.7341% (0.73  10.0   3.76  72.41) =  98.093%  kept
          QE    PHE   59 - HB3   PHE   60   6.83 +/- 2.09  13.122% *  5.2345% (0.65   1.0   1.34  19.93) =   1.006%  kept
          HN    PHE   59 - HB3   PHE   60   5.13 +/- 0.60   8.931% *  6.8654% (0.28   1.0   4.09  19.93) =   0.898%  kept
          HN    LYS+  66 - HB3   PHE   60   9.54 +/- 0.60   1.373% *  0.1206% (1.00   1.0   0.02   0.02) =   0.002%
          HN    LYS+  81 - HB3   PHE   60  18.74 +/- 3.48   0.233% *  0.0453% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2744 (8.21, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 0.198, support = 4.92, residual support = 72.4:
      O   HN    PHE   60 - HB3   PHE   60   2.50 +/- 0.50  99.678% * 99.5797% (0.20  10.0   4.92  72.41) =  99.999%  kept
          HN    GLU-  15 - HB3   PHE   60  21.14 +/- 3.57   0.322% *  0.4203% (0.84   1.0   0.02   0.02) =   0.001%
    Distance limit 3.25 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2745 (7.75, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.851, support = 0.02, residual support = 0.02:
          HD1   TRP   87 - HB3   PHE   60  17.28 +/- 2.82  26.089% * 23.9067% (0.95   0.02   0.02) =  32.076%  kept
          HN    THR   39 - HB3   PHE   60  18.15 +/- 2.93  21.996% * 23.3294% (0.92   0.02   0.02) =  26.392%  kept
          HN    LYS+ 102 - HB3   PHE   60  20.72 +/- 2.81  14.689% * 20.2366% (0.80   0.02   0.02) =  15.288%  kept
          HN    GLU-  36 - HB3   PHE   60  21.40 +/- 3.04  12.388% * 23.9067% (0.95   0.02   0.02) =  15.232%  kept
          HN    TRP   27 - HB3   PHE   60  17.39 +/- 3.12  24.837% *  8.6206% (0.34   0.02   0.02) =  11.012%  kept
    Distance limit 3.69 A violated in 20 structures by 9.62 A, eliminated.
    Peak unassigned.
 
    Peak 2746 (4.12, 1.35, 18.25 ppm):
    10 chemical-shift based assignments, quality = 0.329, support = 2.3, residual support = 5.5:
          HA    LYS+  81 - QB    ALA   84   2.18 +/- 0.24  85.644% * 58.7071% (0.33  1.00   2.31   5.52) =  99.623%  kept
        T HA    ASN   28 - QB    ALA   84  14.31 +/- 3.50   0.554% * 13.7805% (0.89 10.00   0.02   0.02) =   0.151%  kept
        T HA    ALA   34 - QB    ALA   84  17.86 +/- 3.84   0.413% * 11.4086% (0.74 10.00   0.02   0.02) =   0.093%
          HA    GLU-  36 - QB    ALA   84  21.98 +/- 5.59  11.605% *  0.3722% (0.24  1.00   0.02   0.02) =   0.086%
        T HA    ALA  124 - QB    ALA   84  25.26 +/- 3.00   0.073% * 11.4086% (0.74 10.00   0.02   0.02) =   0.016%
          HA    ARG+  54 - QB    ALA   84  15.33 +/- 2.93   0.365% *  1.2949% (0.84  1.00   0.02   0.02) =   0.009%
          HA    LEU  115 - QB    ALA   84  15.41 +/- 2.18   0.303% *  1.3388% (0.87  1.00   0.02   0.02) =   0.008%
          HA1   GLY  101 - QB    ALA   84  17.39 +/- 4.02   0.462% *  0.8452% (0.55  1.00   0.02   0.02) =   0.008%
          HA    GLU- 114 - QB    ALA   84  17.54 +/- 2.81   0.280% *  0.6137% (0.40  1.00   0.02   0.02) =   0.003%
          HA    THR   26 - QB    ALA   84  16.07 +/- 2.94   0.300% *  0.2303% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2747 (4.31, 1.35, 18.25 ppm):
    9 chemical-shift based assignments, quality = 0.266, support = 1.64, residual support = 12.3:
          HA    SER   85 - QB    ALA   84   3.76 +/- 0.05  49.391% * 15.3515% (0.15  1.00   2.33  20.66) =  59.413%  kept
        T HA    ASP-  44 - QB    ALA   84   9.33 +/- 1.73   5.042% * 60.5950% (0.19 10.00   0.72   0.02) =  23.938%  kept
          HA    ASP-  86 - QB    ALA   84   6.48 +/- 0.09   9.716% * 20.4263% (0.84  1.00   0.55   0.02) =  15.552%  kept
          HA    TRP   87 - QB    ALA   84   6.83 +/- 0.26   8.324% *  0.9780% (0.27  1.00   0.08   0.02) =   0.638%  kept
          HB    THR   77 - QB    ALA   84   6.18 +/- 2.45  23.414% *  0.1318% (0.15  1.00   0.02   0.02) =   0.242%  kept
          HA    ALA   12 - QB    ALA   84  24.78 +/- 5.33   1.437% *  0.7137% (0.81  1.00   0.02   0.02) =   0.080%
          HA    LEU  104 - QB    ALA   84  16.85 +/- 2.51   1.036% *  0.8247% (0.93  1.00   0.02   0.02) =   0.067%
          HA    GLU-  14 - QB    ALA   84  22.07 +/- 4.16   0.979% *  0.7888% (0.89  1.00   0.02   0.02) =   0.061%
          HA    MET   11 - QB    ALA   84  26.64 +/- 5.88   0.661% *  0.1902% (0.21  1.00   0.02   0.02) =   0.010%
    Distance limit 3.33 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2748 (7.60, 1.35, 18.25 ppm):
    7 chemical-shift based assignments, quality = 0.298, support = 4.15, residual support = 17.7:
      O   HN    ALA   84 - QB    ALA   84   2.02 +/- 0.07  95.691% * 98.8488% (0.30  10.0   4.15  17.68) =  99.991%  kept
          HZ2   TRP   87 - QB    ALA   84   8.13 +/- 0.65   1.567% *  0.2326% (0.70   1.0   0.02   0.02) =   0.004%
          HD21  ASN   28 - QB    ALA   84  12.87 +/- 4.14   0.779% *  0.2872% (0.87   1.0   0.02   0.02) =   0.002%
          HN    ILE   56 - QB    ALA   84  15.18 +/- 2.60   0.372% *  0.2200% (0.66   1.0   0.02   0.02) =   0.001%
          HN    LEU   63 - QB    ALA   84  15.23 +/- 1.63   0.269% *  0.2564% (0.77   1.0   0.02   0.02) =   0.001%
          QE    PHE   60 - QB    ALA   84  11.67 +/- 2.88   0.963% *  0.0561% (0.17   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 111 - QB    ALA   84  14.65 +/- 2.55   0.360% *  0.0988% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2750 (8.06, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.767, support = 3.95, residual support = 20.4:
          HN    SER   85 - QB    ALA   84   2.63 +/- 0.14  86.552% * 90.4692% (0.77   3.98  20.66) =  98.757%  kept
          HN    LEU   80 - QB    ALA   84   5.51 +/- 0.68  11.339% *  8.6425% (0.30   0.99   0.02) =   1.236%  kept
          HN    GLN   32 - QB    ALA   84  17.14 +/- 3.51   0.476% *  0.5674% (0.97   0.02   0.02) =   0.003%
          HN    ALA   34 - QB    ALA   84  17.45 +/- 3.65   0.804% *  0.2333% (0.40   0.02   0.02) =   0.002%
          HN    CYS   53 - QB    ALA   84  13.70 +/- 2.40   0.829% *  0.0875% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2751 (7.46, 1.48, 18.41 ppm):
    3 chemical-shift based assignments, quality = 0.926, support = 1.05, residual support = 28.5:
          HN    LEU  123 - QB    ALA  120   3.87 +/- 0.08  76.628% * 87.2576% (0.94   1.08  29.45) =  96.894%  kept
          HN    ALA  124 - QB    ALA  120   6.34 +/- 0.27  17.989% * 11.5599% (0.57   0.23   0.02) =   3.014%  kept
          HE21  GLN   17 - QB    ALA  120  20.17 +/- 5.36   5.383% *  1.1825% (0.69   0.02   0.02) =   0.092%
    Distance limit 2.84 A violated in 0 structures by 0.99 A, kept.
 
    Peak 2752 (4.25, 1.48, 18.41 ppm):
    7 chemical-shift based assignments, quality = 0.535, support = 1.97, residual support = 5.26:
        T HA    SER  117 - QB    ALA  120   3.16 +/- 0.50  92.898% * 99.0972% (0.54 10.00   1.97   5.26) =  99.987%  kept
        T HB    THR   26 - QB    ALA  120  22.70 +/- 4.74   1.387% *  0.3951% (0.21 10.00   0.02   0.02) =   0.006%
          HA    ALA   57 - QB    ALA  120  12.48 +/- 1.45   2.255% *  0.1679% (0.89  1.00   0.02   0.02) =   0.004%
          HA    THR   39 - QB    ALA  120  18.99 +/- 4.35   0.911% *  0.1005% (0.54  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - QB    ALA  120  18.04 +/- 2.97   0.704% *  0.1219% (0.65  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    ALA  120  22.26 +/- 3.80   0.741% *  0.0864% (0.46  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - QB    ALA  120  16.52 +/- 4.02   1.104% *  0.0311% (0.17  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2753 (7.73, 1.43, 17.92 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 17.9:
      O   HN    ALA   61 - QB    ALA   61   2.05 +/- 0.08  91.716% * 99.3531% (0.97  10.0   4.00  17.90) =  99.994%  kept
          HN    ALA   91 - QB    ALA  110   9.40 +/- 2.33   3.376% *  0.0755% (0.73   1.0   0.02   0.02) =   0.003%
          HE3   TRP   87 - QB    ALA  110  14.39 +/- 2.89   1.809% *  0.0553% (0.54   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - QB    ALA   61  13.41 +/- 2.36   0.515% *  0.0923% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - QB    ALA   61  14.44 +/- 3.17   0.423% *  0.1020% (0.99   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA  110  12.62 +/- 2.22   0.569% *  0.0735% (0.71   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   61  15.86 +/- 3.05   0.332% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   61  14.90 +/- 2.90   0.353% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   61  15.22 +/- 2.40   0.317% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA  110  14.26 +/- 2.26   0.407% *  0.0212% (0.21   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA  110  20.84 +/- 2.19   0.100% *  0.0683% (0.66   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA  110  22.23 +/- 2.46   0.082% *  0.0235% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2754 (8.76, 1.42, 18.06 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 2.12, residual support = 9.58:
      O   HN    ALA  110 - QB    ALA  110   2.74 +/- 0.29  68.927% * 99.6796% (0.87  10.0   2.12   9.58) =  99.983%  kept
          HN    PHE   45 - QB    ALA   61   8.56 +/- 2.93   8.154% *  0.0550% (0.48   1.0   0.02   0.02) =   0.007%
          HN    ASP-  44 - QB    ALA   61   8.10 +/- 2.83  17.103% *  0.0236% (0.21   1.0   0.02   0.28) =   0.006%
          HN    PHE   45 - QB    ALA  110   9.58 +/- 2.06   2.854% *  0.0743% (0.65   1.0   0.02   0.02) =   0.003%
          HN    ALA  110 - QB    ALA   61  13.71 +/- 2.31   0.795% *  0.0738% (0.64   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - QB    ALA  110  12.39 +/- 1.95   1.037% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA   61  15.02 +/- 2.96   0.948% *  0.0262% (0.23   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA  110  21.73 +/- 2.43   0.183% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2755 (7.86, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 0.987, support = 2.75, residual support = 8.09:
          HN    ASP-  62 - QB    ALA   61   2.80 +/- 0.23  72.922% * 83.3891% (1.00   2.79   8.23) =  98.303%  kept
          HN    PHE   55 - QB    ALA  110   9.57 +/- 3.64  13.430% *  5.4751% (0.33   0.55   0.02) =   1.189%  kept
          HN    ARG+  54 - QB    ALA  110  10.35 +/- 3.43   5.821% *  2.6812% (0.64   0.14   0.02) =   0.252%  kept
          HN    PHE   55 - QB    ALA   61   9.91 +/- 1.37   2.176% *  6.0409% (0.45   0.45   0.02) =   0.212%  kept
          HN    ARG+  54 - QB    ALA   61   9.94 +/- 1.78   2.112% *  0.5200% (0.87   0.02   0.02) =   0.018%
          HN    LEU   31 - QB    ALA   61  14.32 +/- 2.54   1.397% *  0.5876% (0.98   0.02   0.02) =   0.013%
          HN    ASP-  62 - QB    ALA  110  13.21 +/- 2.05   1.069% *  0.4426% (0.74   0.02   0.02) =   0.008%
          HN    LEU   31 - QB    ALA  110  21.24 +/- 2.98   0.409% *  0.4348% (0.73   0.02   0.02) =   0.003%
          HN    LYS+  38 - QB    ALA   61  16.84 +/- 2.44   0.497% *  0.2464% (0.41   0.02   0.02) =   0.002%
          HN    LYS+  38 - QB    ALA  110  23.74 +/- 2.70   0.168% *  0.1824% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2756 (4.32, 2.65, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.795, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB2   ASP-  62  19.43 +/- 3.46  29.665% * 28.1529% (1.00   0.02   0.02) =  39.817%  kept
          HA    GLU-  14 - HB2   ASP-  62  21.99 +/- 4.07  23.304% * 21.5631% (0.76   0.02   0.02) =  23.957%  kept
          HA    ASP-  86 - HB2   ASP-  62  24.57 +/- 3.01  13.848% * 19.3814% (0.69   0.02   0.02) =  12.796%  kept
          HA    TRP   87 - HB2   ASP-  62  21.94 +/- 3.43  20.392% * 12.6499% (0.45   0.02   0.02) =  12.299%  kept
          HA    ALA   12 - HB2   ASP-  62  26.07 +/- 3.69  12.791% * 18.2527% (0.65   0.02   0.02) =  11.131%  kept
    Distance limit 3.53 A violated in 20 structures by 12.39 A, eliminated.
    Peak unassigned.
 
    Peak 2757 (4.32, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.723, support = 0.02, residual support = 0.02:
        T HA    ASP-  86 - HB3   ASP-  62  24.37 +/- 2.75  14.050% * 70.6236% (0.67 10.00   0.02   0.02) =  59.885%  kept
          HA    LEU  104 - HB3   ASP-  62  19.32 +/- 3.29  30.163% * 10.2586% (0.98  1.00   0.02   0.02) =  18.675%  kept
          HA    GLU-  14 - HB3   ASP-  62  22.01 +/- 3.77  22.328% *  7.8573% (0.75  1.00   0.02   0.02) =  10.588%  kept
          HA    TRP   87 - HB3   ASP-  62  21.71 +/- 3.17  20.936% *  4.6095% (0.44  1.00   0.02   0.02) =   5.824%  kept
          HA    ALA   12 - HB3   ASP-  62  26.12 +/- 3.32  12.523% *  6.6511% (0.63  1.00   0.02   0.02) =   5.027%  kept
    Distance limit 3.26 A violated in 20 structures by 12.69 A, eliminated.
    Peak unassigned.
 
    Peak 2758 (6.93, 4.22, 57.45 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 1.11, residual support = 4.21:
          HN    LYS+  65 - HA    ASP-  62   3.63 +/- 0.46 100.000% *100.0000% (0.15   1.11   4.21) = 100.000%  kept
    Distance limit 3.71 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2759 (7.86, 4.22, 57.45 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 3.83, residual support = 41.0:
      O   HN    ASP-  62 - HA    ASP-  62   2.75 +/- 0.05  96.938% * 99.7294% (1.00  10.0   3.83  41.01) =  99.998%  kept
          HN    ARG+  54 - HA    ASP-  62  13.44 +/- 2.23   1.316% *  0.0867% (0.87   1.0   0.02   0.02) =   0.001%
          HN    PHE   55 - HA    ASP-  62  13.31 +/- 1.49   1.054% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ASP-  62  18.61 +/- 2.87   0.433% *  0.0980% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ASP-  62  20.67 +/- 1.96   0.257% *  0.0411% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2760 (7.60, 2.65, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.22, residual support = 42.3:
          HN    LEU   63 - HB2   ASP-  62   3.55 +/- 0.51  89.145% * 97.5348% (0.97   5.23  42.32) =  99.876%  kept
          HN    ILE   56 - HB2   ASP-  62   9.97 +/- 1.37   6.410% *  1.5372% (0.90   0.09   0.02) =   0.113%  kept
          HN    LYS+ 111 - HB2   ASP-  62  15.22 +/- 2.17   1.820% *  0.2034% (0.53   0.02   0.02) =   0.004%
          HD21  ASN   28 - HB2   ASP-  62  20.46 +/- 4.82   0.964% *  0.2655% (0.69   0.02   0.02) =   0.003%
          HN    ALA   84 - HB2   ASP-  62  20.44 +/- 2.71   0.706% *  0.2034% (0.53   0.02   0.02) =   0.002%
          HZ2   TRP   87 - HB2   ASP-  62  20.44 +/- 2.36   0.714% *  0.1881% (0.49   0.02   0.02) =   0.002%
          HE21  GLN   32 - HB2   ASP-  62  26.89 +/- 3.65   0.243% *  0.0677% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2761 (7.87, 2.65, 41.28 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 3.83, residual support = 41.0:
      O   HN    ASP-  62 - HB2   ASP-  62   2.53 +/- 0.47  97.184% * 99.6462% (0.69  10.0   3.83  41.01) =  99.996%  kept
          HN    ARG+  54 - HB2   ASP-  62  12.19 +/- 2.52   2.152% *  0.1400% (0.97   1.0   0.02   0.02) =   0.003%
          HN    LEU   31 - HB2   ASP-  62  19.89 +/- 3.24   0.445% *  0.0880% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ASP-  62  21.80 +/- 2.20   0.219% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2762 (7.60, 2.45, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 5.23, residual support = 42.3:
          HN    LEU   63 - HB3   ASP-  62   3.08 +/- 0.41  92.176% * 98.7099% (0.95   5.23  42.32) =  99.975%  kept
          HN    ILE   56 - HB3   ASP-  62   9.79 +/- 1.68   4.623% *  0.3508% (0.88   0.02   0.02) =   0.018%
          HD21  ASN   28 - HB3   ASP-  62  20.37 +/- 4.61   0.994% *  0.2687% (0.67   0.02   0.02) =   0.003%
          HN    LYS+ 111 - HB3   ASP-  62  14.87 +/- 2.24   1.113% *  0.2058% (0.52   0.02   0.02) =   0.003%
          HN    ALA   84 - HB3   ASP-  62  20.26 +/- 2.50   0.487% *  0.2058% (0.52   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HB3   ASP-  62  20.22 +/- 1.98   0.400% *  0.1904% (0.48   0.02   0.02) =   0.001%
          HE21  GLN   32 - HB3   ASP-  62  26.79 +/- 3.31   0.207% *  0.0685% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2763 (7.86, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.978, support = 3.83, residual support = 41.0:
      O   HN    ASP-  62 - HB3   ASP-  62   2.60 +/- 0.44  91.816% * 99.7294% (0.98  10.0   3.83  41.01) =  99.994%  kept
          HN    ARG+  54 - HB3   ASP-  62  11.92 +/- 2.68   4.811% *  0.0867% (0.85   1.0   0.02   0.02) =   0.005%
          HN    PHE   55 - HB3   ASP-  62  11.58 +/- 2.08   2.891% *  0.0448% (0.44   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - HB3   ASP-  62  19.76 +/- 3.03   0.271% *  0.0980% (0.96   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ASP-  62  21.58 +/- 1.77   0.211% *  0.0411% (0.40   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2764 (1.82, 3.50, 57.67 ppm):
    9 chemical-shift based assignments, quality = 0.836, support = 2.45, residual support = 5.53:
          QB    LYS+  66 - HA    LEU   63   3.58 +/- 0.66  58.127% * 46.7477% (1.00   1.83   6.70) =  62.200%  kept
          QB    LYS+  65 - HA    LEU   63   4.80 +/- 0.70  32.519% * 50.6792% (0.57   3.50   3.61) =  37.725%  kept
          HB    VAL   41 - HA    LEU   63  13.23 +/- 2.03   1.681% *  0.4845% (0.95   0.02   0.02) =   0.019%
          HG    LEU  123 - HA    LEU   63  12.02 +/- 2.81   2.746% *  0.2900% (0.57   0.02   0.02) =   0.018%
          HB2   LEU   71 - HA    LEU   63  11.95 +/- 1.02   1.926% *  0.2695% (0.53   0.02   0.02) =   0.012%
          HG2   PRO   93 - HA    LEU   63  15.95 +/- 2.84   0.960% *  0.4594% (0.90   0.02   0.02) =   0.010%
          HG12  ILE  103 - HA    LEU   63  17.64 +/- 2.92   0.688% *  0.4278% (0.84   0.02   0.02) =   0.007%
          HB3   PRO   52 - HA    LEU   63  17.09 +/- 3.26   0.845% *  0.2900% (0.57   0.02   0.02) =   0.006%
          QB    LYS+ 102 - HA    LEU   63  19.28 +/- 2.94   0.509% *  0.3519% (0.69   0.02   0.02) =   0.004%
    Distance limit 3.30 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2765 (7.29, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 0.575, support = 2.41, residual support = 7.1:
          HN    LYS+  66 - HA    LEU   63   3.59 +/- 0.45  68.409% * 56.9392% (0.53   2.64   6.70) =  86.528%  kept
          QD    PHE   60 - HA    LEU   63   6.33 +/- 0.68  14.113% * 39.1150% (0.97   0.99  10.61) =  12.263%  kept
          QE    PHE   59 - HA    LEU   63   7.86 +/- 2.17  17.067% *  3.1689% (0.14   0.57   0.02) =   1.201%  kept
          HN    LYS+  81 - HA    LEU   63  20.71 +/- 1.87   0.411% *  0.7768% (0.95   0.02   0.02) =   0.007%
    Distance limit 3.71 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2766 (7.59, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.49, residual support = 240.5:
      O   HN    LEU   63 - HA    LEU   63   2.81 +/- 0.06  93.494% * 99.6457% (1.00  10.0   7.49 240.53) =  99.996%  kept
          HD21  ASN   28 - HA    LEU   63  18.80 +/- 4.77   3.218% *  0.0486% (0.49   1.0   0.02   0.02) =   0.002%
          HN    ILE   56 - HA    LEU   63  12.45 +/- 2.01   1.538% *  0.0990% (0.99   1.0   0.02   0.02) =   0.002%
          HN    LYS+ 111 - HA    LEU   63  16.22 +/- 2.99   0.903% *  0.0725% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ALA   84 - HA    LEU   63  20.06 +/- 1.63   0.274% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    LEU   63  19.18 +/- 2.42   0.349% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    LEU   63  24.32 +/- 3.50   0.223% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2767 (3.93, 1.34, 41.55 ppm):
    10 chemical-shift based assignments, quality = 0.486, support = 1.5, residual support = 10.6:
        T HA    PHE   60 - HB2   LEU   63   3.28 +/- 0.72  75.631% * 95.6102% (0.49 10.00   1.50  10.61) =  99.661%  kept
          HA    LYS+  65 - HB2   LEU   63   7.50 +/- 0.28   9.046% *  2.2210% (0.18  1.00   0.97   3.61) =   0.277%  kept
          HB    THR   94 - HB2   LEU   63  12.88 +/- 2.29   1.719% *  0.9630% (0.87  1.00   0.08   0.02) =   0.023%
          QB    SER  117 - HB2   LEU   63  12.43 +/- 2.72   4.409% *  0.2567% (0.98  1.00   0.02   0.02) =   0.016%
          HA2   GLY   51 - HB2   LEU   63  16.12 +/- 3.30   2.556% *  0.2528% (0.97  1.00   0.02   0.02) =   0.009%
          HA    LYS+ 121 - HB2   LEU   63  13.65 +/- 2.87   1.668% *  0.2418% (0.92  1.00   0.02   0.02) =   0.006%
          HA    ALA  120 - HB2   LEU   63  12.71 +/- 2.78   2.209% *  0.1378% (0.53  1.00   0.02   0.02) =   0.004%
          QB    SER   48 - HB2   LEU   63  15.92 +/- 2.64   1.365% *  0.2002% (0.76  1.00   0.02   0.02) =   0.004%
          HA2   GLY   16 - HB2   LEU   63  16.12 +/- 3.81   0.958% *  0.0583% (0.22  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB2   LEU   63  20.32 +/- 1.75   0.439% *  0.0583% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2768 (6.48, 1.34, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 7.67, residual support = 55.4:
          HN    ALA   64 - HB2   LEU   63   2.85 +/- 0.40 100.000% *100.0000% (0.57   7.67  55.43) = 100.000%  kept
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2769 (6.99, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 2.67, residual support = 17.4:
          QE    PHE   72 - HB2   LEU   63   4.41 +/- 1.32  89.276% * 99.3552% (0.99   2.67  17.37) =  99.961%  kept
          HN    ALA   47 - HB2   LEU   63  13.46 +/- 2.55   5.707% *  0.3364% (0.45   0.02   0.02) =   0.022%
          HD22  ASN   28 - HB2   LEU   63  16.96 +/- 3.69   5.017% *  0.3084% (0.41   0.02   0.02) =   0.017%
    Distance limit 4.08 A violated in 3 structures by 0.60 A, kept.
 
    Peak 2770 (7.59, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.99, residual support = 240.5:
      O   HN    LEU   63 - HB2   LEU   63   2.22 +/- 0.22  96.991% * 99.6457% (1.00  10.0   7.99 240.53) =  99.998%  kept
          HN    ILE   56 - HB2   LEU   63  11.17 +/- 1.66   1.054% *  0.0990% (0.99   1.0   0.02   0.02) =   0.001%
          HD21  ASN   28 - HB2   LEU   63  17.59 +/- 3.88   0.863% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB2   LEU   63  15.15 +/- 2.44   0.468% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LEU   63  18.47 +/- 2.02   0.204% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   LEU   63  17.67 +/- 2.53   0.262% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LEU   63  23.34 +/- 3.21   0.158% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2771 (7.84, 1.34, 41.55 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 4.53, residual support = 42.1:
          HN    ASP-  62 - HB2   LEU   63   4.65 +/- 0.28  80.834% * 90.8338% (0.76   4.55  42.32) =  99.460%  kept
          HN    LEU   31 - HB2   LEU   63  16.38 +/- 2.96   4.227% *  8.2679% (0.84   0.38   0.02) =   0.473%  kept
          HN    PHE   55 - HB2   LEU   63  12.95 +/- 2.27   6.709% *  0.4686% (0.90   0.02   0.02) =   0.043%
          HN    ARG+  54 - HB2   LEU   63  13.20 +/- 2.43   7.063% *  0.2148% (0.41   0.02   0.02) =   0.021%
          HN    ALA   88 - HB2   LEU   63  20.18 +/- 2.07   1.167% *  0.2148% (0.41   0.02   0.02) =   0.003%
    Distance limit 4.27 A violated in 0 structures by 0.39 A, kept.
 
    Peak 2772 (6.48, 0.88, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.78, residual support = 55.4:
          HN    ALA   64 - HB3   LEU   63   3.42 +/- 0.59 100.000% *100.0000% (0.57   6.78  55.43) = 100.000%  kept
    Distance limit 4.15 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2773 (6.72, 0.88, 41.55 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.34, residual support = 17.4:
        T HZ    PHE   72 - HB3   LEU   63   4.56 +/- 2.26  79.740% * 99.9822% (0.87 10.00   3.34  17.37) =  99.995%  kept
          HZ2   TRP   27 - HB3   LEU   63  14.52 +/- 3.81  20.260% *  0.0178% (0.15  1.00   0.02   0.02) =   0.005%
    Distance limit 4.02 A violated in 6 structures by 1.20 A, kept.
 
    Peak 2774 (7.59, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.57, residual support = 240.5:
      O   HN    LEU   63 - HB3   LEU   63   3.33 +/- 0.24  91.306% * 99.6457% (1.00  10.0   7.57 240.53) =  99.993%  kept
          HN    ILE   56 - HB3   LEU   63  12.29 +/- 2.04   2.814% *  0.0990% (0.99   1.0   0.02   0.02) =   0.003%
          HN    LYS+ 111 - HB3   LEU   63  15.72 +/- 2.84   1.894% *  0.0725% (0.73   1.0   0.02   0.02) =   0.002%
          HD21  ASN   28 - HB3   LEU   63  17.78 +/- 4.08   2.131% *  0.0486% (0.49   1.0   0.02   0.02) =   0.001%
          HN    ALA   84 - HB3   LEU   63  18.95 +/- 2.21   0.607% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   LEU   63  17.83 +/- 3.09   0.913% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LEU   63  23.16 +/- 3.37   0.336% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2775 (7.60, 1.06, 26.21 ppm):
    7 chemical-shift based assignments, quality = 0.763, support = 7.49, residual support = 239.9:
          HN    LEU   63 - HG    LEU   63   3.27 +/- 0.70  65.298% * 98.3498% (0.76   7.51 240.53) =  99.717%  kept
          QE    PHE   60 - HG    LEU   63   6.49 +/- 1.73  22.808% *  0.6594% (0.20   0.19  10.61) =   0.234%  kept
          HD21  ASN   28 - HG    LEU   63  18.42 +/- 4.47   7.990% *  0.3164% (0.92   0.02   0.02) =   0.039%
          HN    ILE   56 - HG    LEU   63  11.54 +/- 2.25   1.759% *  0.2218% (0.65   0.02   0.02) =   0.006%
          HZ2   TRP   87 - HG    LEU   63  18.29 +/- 2.08   0.499% *  0.2620% (0.76   0.02   0.02) =   0.002%
          HN    LYS+ 111 - HG    LEU   63  14.98 +/- 3.45   1.224% *  0.0953% (0.28   0.02   0.02) =   0.002%
          HN    ALA   84 - HG    LEU   63  19.18 +/- 1.67   0.422% *  0.0953% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.61 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2776 (3.94, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.155, support = 2.84, residual support = 9.82:
        T HA    PHE   60 - QD1   LEU   63   2.95 +/- 1.38  43.098% * 57.1604% (0.14 10.00   3.09  10.61) =  90.995%  kept
        T HA    PHE   60 - QD1   LEU   73  10.63 +/- 2.90  12.504% * 12.4806% (0.14 10.00   0.44   2.22) =   5.764%  kept
          HA    LYS+  65 - QD1   LEU   63   7.70 +/- 0.86   5.353% *  4.8182% (0.57  1.00   0.40   3.61) =   0.953%  kept
          HB    THR   94 - QD1   LEU   73  11.18 +/- 2.22   3.719% *  5.6613% (0.97  1.00   0.28   0.02) =   0.778%  kept
          HA    ALA  120 - QD1   LEU   63   9.96 +/- 2.96   3.740% *  3.9185% (0.95  1.00   0.20   0.02) =   0.541%  kept
          HB    THR   94 - QD1   LEU   63  10.56 +/- 2.36   1.382% *  7.6671% (0.97  1.00   0.38   0.02) =   0.391%  kept
          HA    LYS+ 121 - QD1   LEU   63  10.57 +/- 3.11   2.473% *  1.7865% (0.92  1.00   0.09   0.02) =   0.163%  kept
          QB    SER  117 - QD1   LEU   63   9.56 +/- 2.94   3.877% *  1.0834% (0.61  1.00   0.08   0.02) =   0.155%  kept
          HA    LYS+ 121 - QD1   LEU  104  13.00 +/- 7.31   2.599% *  0.6853% (0.23  1.00   0.14   0.02) =   0.066%
          HA2   GLY   51 - QD1   LEU   63  13.52 +/- 3.31   3.270% *  0.3664% (0.87  1.00   0.02   0.02) =   0.044%
          QB    SER  117 - QD1   LEU   73  15.59 +/- 3.91   1.780% *  0.2562% (0.61  1.00   0.02   0.02) =   0.017%
          QB    SER   48 - QD1   LEU   73  13.67 +/- 2.59   1.034% *  0.4214% (1.00  1.00   0.02   0.02) =   0.016%
          HA    ALA  120 - QD1   LEU   73  17.77 +/- 3.98   1.004% *  0.3995% (0.95  1.00   0.02   0.02) =   0.015%
          HA    LYS+  65 - QD1   LEU   73  10.66 +/- 1.57   1.517% *  0.2391% (0.57  1.00   0.02   0.02) =   0.013%
          QB    SER   48 - QD1   LEU   63  13.48 +/- 2.25   0.858% *  0.4214% (1.00  1.00   0.02   0.02) =   0.013%
          HA    LYS+ 121 - QD1   LEU   73  17.41 +/- 4.09   0.850% *  0.3899% (0.92  1.00   0.02   0.02) =   0.012%
          QB    SER   85 - QD1   LEU   73  13.59 +/- 1.91   0.974% *  0.2732% (0.65  1.00   0.02   0.02) =   0.010%
          HA2   GLY   16 - QD1   LEU   63  14.03 +/- 2.79   0.910% *  0.2732% (0.65  1.00   0.02   0.02) =   0.009%
          HA2   GLY   16 - QD1   LEU   73  12.90 +/- 2.95   0.889% *  0.2732% (0.65  1.00   0.02   0.02) =   0.009%
          HA2   GLY   51 - QD1   LEU   73  17.73 +/- 3.30   0.523% *  0.3664% (0.87  1.00   0.02   0.02) =   0.007%
        T HA    PHE   60 - QD1   LEU  104  12.84 +/- 3.06   1.167% *  0.1399% (0.03 10.00   0.02   0.02) =   0.006%
          HA    ALA  120 - QD1   LEU  104  14.94 +/- 5.72   0.988% *  0.0978% (0.23  1.00   0.02   0.02) =   0.004%
          QB    SER   85 - QD1   LEU   63  16.99 +/- 1.45   0.342% *  0.2732% (0.65  1.00   0.02   0.02) =   0.003%
          HA2   GLY   16 - QD1   LEU  104  15.45 +/- 4.76   1.374% *  0.0669% (0.16  1.00   0.02   0.02) =   0.003%
          HB    THR   94 - QD1   LEU  104  13.20 +/- 1.14   0.888% *  0.0998% (0.24  1.00   0.02   0.02) =   0.003%
          QB    SER  117 - QD1   LEU  104  12.63 +/- 3.52   1.266% *  0.0627% (0.15  1.00   0.02   0.02) =   0.003%
          HA    LYS+  65 - QD1   LEU  104  15.41 +/- 3.48   0.696% *  0.0585% (0.14  1.00   0.02   0.02) =   0.002%
          QB    SER   85 - QD1   LEU  104  16.71 +/- 2.94   0.462% *  0.0669% (0.16  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - QD1   LEU  104  18.47 +/- 3.14   0.287% *  0.1032% (0.24  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - QD1   LEU  104  21.97 +/- 2.64   0.177% *  0.0897% (0.21  1.00   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2777 (6.37, 0.58, 26.34 ppm):
    6 chemical-shift based assignments, quality = 0.486, support = 3.41, residual support = 22.4:
        T HZ3   TRP   27 - QD1   LEU   73   4.11 +/- 1.59  55.020% * 83.4349% (0.49 10.00   3.60  23.90) =  93.928%  kept
        T HZ3   TRP   27 - QD1   LEU   63  10.00 +/- 2.66  18.205% * 16.0814% (0.49 10.00   0.39   0.02) =   5.990%  kept
        T HZ3   TRP   27 - QD1   LEU  104  10.72 +/- 3.15  11.266% *  0.2042% (0.12 10.00   0.02   0.02) =   0.047%
          HZ    PHE   45 - QD1   LEU   73   9.36 +/- 1.79   8.232% *  0.1245% (0.73  1.00   0.02   0.02) =   0.021%
          HZ    PHE   45 - QD1   LEU   63  11.63 +/- 2.48   4.673% *  0.1245% (0.73  1.00   0.02   0.02) =   0.012%
          HZ    PHE   45 - QD1   LEU  104  12.92 +/- 2.99   2.605% *  0.0305% (0.18  1.00   0.02   0.02) =   0.002%
    Distance limit 3.78 A violated in 2 structures by 0.27 A, kept.
 
    Peak 2778 (7.28, 0.58, 26.34 ppm):
    15 chemical-shift based assignments, quality = 0.842, support = 1.5, residual support = 8.04:
          QD    PHE   60 - QD1   LEU   63   3.54 +/- 1.40  32.229% * 35.2616% (0.87   1.75  10.61) =  64.051%  kept
          HN    LYS+  66 - QD1   LEU   63   5.78 +/- 0.78   9.478% * 26.4574% (0.95   1.21   6.70) =  14.134%  kept
          QD    PHE   60 - QD1   LEU   73   8.47 +/- 2.31   8.989% * 25.9283% (0.87   1.29   2.22) =  13.136%  kept
          QE    PHE   59 - QD1   LEU   63   5.40 +/- 2.51  22.150% *  5.5162% (0.49   0.49   0.02) =   6.887%  kept
          HN    PHE   59 - QD1   LEU   63   6.36 +/- 1.25   8.170% *  2.3508% (0.18   0.58   0.02) =   1.082%  kept
          QE    PHE   59 - QD1   LEU   73  12.31 +/- 3.81   7.726% *  1.1133% (0.49   0.10   0.02) =   0.485%  kept
          HN    LYS+  66 - QD1   LEU   73  11.73 +/- 1.35   0.888% *  2.1432% (0.95   0.10   0.02) =   0.107%  kept
          HN    PHE   59 - QD1   LEU   73  13.32 +/- 3.36   3.262% *  0.4006% (0.18   0.10   0.02) =   0.074%
          HN    LYS+  81 - QD1   LEU   73  12.82 +/- 2.76   1.046% *  0.2440% (0.53   0.02   0.02) =   0.014%
          HN    LYS+  66 - QD1   LEU  104  14.49 +/- 3.71   1.780% *  0.1074% (0.23   0.02   0.02) =   0.011%
          QD    PHE   60 - QD1   LEU  104  11.35 +/- 2.97   1.120% *  0.0985% (0.21   0.02   0.02) =   0.006%
          HN    LYS+  81 - QD1   LEU   63  16.35 +/- 2.12   0.412% *  0.2440% (0.53   0.02   0.02) =   0.006%
          QE    PHE   59 - QD1   LEU  104  11.52 +/- 3.79   1.792% *  0.0553% (0.12   0.02   0.02) =   0.006%
          HN    LYS+  81 - QD1   LEU  104  19.18 +/- 3.36   0.323% *  0.0597% (0.13   0.02   0.02) =   0.001%
          HN    PHE   59 - QD1   LEU  104  15.22 +/- 3.73   0.635% *  0.0199% (0.04   0.02   0.02) =   0.001%
    Distance limit 3.11 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2779 (7.60, 0.58, 26.34 ppm):
    21 chemical-shift based assignments, quality = 0.745, support = 5.93, residual support = 209.1:
          HN    LEU   63 - QD1   LEU   63   3.26 +/- 0.58  34.112% * 56.7646% (0.76   6.54 240.53) =  86.721%  kept
          HD21  ASN   28 - QD1   LEU   73   6.82 +/- 2.27   5.841% * 24.6002% (0.92   2.35   1.21) =   6.435%  kept
          QE    PHE   60 - QD1   LEU   63   4.69 +/- 1.73  19.682% *  3.7079% (0.20   1.65  10.61) =   3.268%  kept
          QE    PHE   60 - QD1   LEU   73   7.70 +/- 2.15   9.026% *  5.0586% (0.20   2.25   2.22) =   2.045%  kept
          HD21  ASN   28 - QD1   LEU   63  14.66 +/- 3.95   5.445% *  3.4660% (0.92   0.33   0.02) =   0.845%  kept
          HN    LEU   63 - QD1   LEU   73  10.82 +/- 2.10   2.627% *  3.1875% (0.76   0.37   0.02) =   0.375%  kept
          HZ2   TRP   87 - QD1   LEU   73   9.47 +/- 3.27   2.373% *  2.2817% (0.76   0.26   0.02) =   0.242%  kept
          HN    ILE   56 - QD1   LEU   63   9.13 +/- 2.15   3.896% *  0.1468% (0.65   0.02   0.02) =   0.026%
          HD21  ASN   28 - QD1   LEU  104  14.15 +/- 4.39   5.169% *  0.0513% (0.23   0.02   0.02) =   0.012%
          HN    ILE   56 - QD1   LEU   73  15.40 +/- 3.64   1.353% *  0.1468% (0.65   0.02   0.02) =   0.009%
          HN    LYS+ 111 - QD1   LEU   63  11.89 +/- 2.93   1.593% *  0.0631% (0.28   0.02   0.02) =   0.005%
          HZ2   TRP   87 - QD1   LEU   63  14.89 +/- 2.09   0.528% *  0.1735% (0.76   0.02   0.02) =   0.004%
          HN    LYS+ 111 - QD1   LEU   73  17.26 +/- 3.62   0.995% *  0.0631% (0.28   0.02   0.02) =   0.003%
          HN    ALA   84 - QD1   LEU   73  11.84 +/- 2.24   0.973% *  0.0631% (0.28   0.02   0.02) =   0.003%
          HN    LEU   63 - QD1   LEU  104  13.11 +/- 3.24   1.247% *  0.0425% (0.19   0.02   0.02) =   0.002%
          HZ2   TRP   87 - QD1   LEU  104  13.15 +/- 3.60   0.929% *  0.0425% (0.19   0.02   0.02) =   0.002%
          QE    PHE   60 - QD1   LEU  104  11.10 +/- 3.37   2.835% *  0.0110% (0.05   0.02   0.02) =   0.001%
          HN    ALA   84 - QD1   LEU   63  15.56 +/- 1.72   0.392% *  0.0631% (0.28   0.02   0.02) =   0.001%
          HN    ILE   56 - QD1   LEU  104  17.95 +/- 2.71   0.240% *  0.0359% (0.16   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU  104  16.74 +/- 2.92   0.413% *  0.0154% (0.07   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU  104  15.96 +/- 2.27   0.331% *  0.0154% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2782 (6.47, 2.84, 53.98 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.22, residual support = 20.8:
      O   HN    ALA   64 - HA    ALA   64   2.78 +/- 0.07 100.000% *100.0000% (0.97  10.0   4.22  20.77) = 100.000%  kept
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2783 (6.70, 2.84, 53.98 ppm):
    3 chemical-shift based assignments, quality = 0.715, support = 3.27, residual support = 47.0:
        T HZ    PHE   72 - HA    ALA   64   3.01 +/- 0.72  60.319% * 39.4733% (0.57 10.00   2.97  46.98) =  50.597%  kept
        T QD    PHE   72 - HA    ALA   64   3.61 +/- 0.55  38.438% * 60.4788% (0.87 10.00   3.58  46.98) =  49.401%  kept
          QE    PHE   45 - HA    ALA   64  12.00 +/- 1.92   1.243% *  0.0479% (0.69  1.00   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2785 (7.34, 2.84, 53.98 ppm):
    7 chemical-shift based assignments, quality = 0.87, support = 1.21, residual support = 4.05:
          HN    LEU   67 - HA    ALA   64   3.42 +/- 0.56  80.741% * 60.8317% (0.87   1.23   4.19) =  96.385%  kept
          QE    PHE   95 - HA    ALA   64  10.67 +/- 2.68   5.762% * 27.0213% (0.98   0.49   0.36) =   3.055%  kept
          HN    THR   23 - HA    ALA   64  13.79 +/- 2.14   2.226% *  9.7453% (0.99   0.17   0.02) =   0.426%  kept
          HE3   TRP   27 - HA    ALA   64  10.74 +/- 2.18   6.321% *  0.6430% (0.57   0.02   0.02) =   0.080%
          QD    PHE   55 - HA    ALA   64  15.88 +/- 1.80   1.610% *  0.7347% (0.65   0.02   0.02) =   0.023%
          HD2   HIS   22 - HA    ALA   64  13.96 +/- 2.63   2.264% *  0.4263% (0.38   0.02   0.02) =   0.019%
          HD1   TRP   49 - HA    ALA   64  19.36 +/- 3.07   1.076% *  0.5976% (0.53   0.02   0.02) =   0.013%
    Distance limit 4.12 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2786 (0.76, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.67, support = 2.8, residual support = 7.29:
          QG2   VAL   18 - QB    ALA   64   4.42 +/- 2.87  38.579% * 44.1021% (0.84   2.05   9.46) =  61.557%  kept
          QD2   LEU   73 - QB    ALA   64   4.89 +/- 1.05  23.208% * 41.8824% (0.38   4.34   4.18) =  35.167%  kept
          QD1   ILE   19 - QB    ALA   64   7.53 +/- 1.72   4.401% *  7.3590% (0.38   0.76   0.02) =   1.172%  kept
          QG1   VAL   43 - QB    ALA   64   7.26 +/- 1.34   9.732% *  2.8809% (0.98   0.11   0.02) =   1.014%  kept
          QG1   VAL   41 - QB    ALA   64   7.31 +/- 1.52   9.124% *  2.9130% (0.99   0.11   0.02) =   0.962%  kept
          QG2   THR   46 - QB    ALA   64   7.67 +/- 1.76   5.537% *  0.3736% (0.73   0.02   0.02) =   0.075%
          HG    LEU   31 - QB    ALA   64  10.49 +/- 2.19   3.110% *  0.2707% (0.53   0.02   0.02) =   0.030%
          QD1   ILE   56 - QB    ALA   64   9.00 +/- 1.45   4.517% *  0.0901% (0.18   0.02   0.02) =   0.015%
          QD2   LEU  104 - QB    ALA   64  11.53 +/- 2.19   1.792% *  0.1283% (0.25   0.02   0.02) =   0.008%
    Distance limit 2.98 A violated in 1 structures by 0.36 A, kept.
 
    Peak 2787 (1.44, 0.40, 18.57 ppm):
    13 chemical-shift based assignments, quality = 0.857, support = 1.76, residual support = 5.23:
          HB3   LEU   67 - QB    ALA   64   4.49 +/- 0.92  23.232% * 15.6965% (0.99   1.27   4.19) =  27.836%  kept
          QB    ALA   61 - QB    ALA   64   4.18 +/- 0.43  24.447% * 13.6189% (0.92   1.18   6.18) =  25.414%  kept
          HG    LEU   73 - QB    ALA   64   6.61 +/- 0.95   8.104% * 28.5229% (0.87   2.63   4.18) =  17.644%  kept
          QG    LYS+  66 - QB    ALA   64   6.43 +/- 0.68   7.413% * 25.9574% (0.98   2.12   8.59) =  14.687%  kept
          HG    LEU   67 - QB    ALA   64   5.24 +/- 1.14  16.700% *  9.1955% (0.28   2.65   4.19) =  11.722%  kept
          HG12  ILE   19 - QB    ALA   64   8.28 +/- 2.59   5.490% *  6.1574% (0.65   0.76   0.02) =   2.581%  kept
          HG    LEU   40 - QB    ALA   64   7.57 +/- 1.46   8.119% *  0.0937% (0.38   0.02   0.02) =   0.058%
          HG    LEU   80 - QB    ALA   64  13.52 +/- 3.11   1.197% *  0.1908% (0.76   0.02   0.02) =   0.017%
          QB    ALA  110 - QB    ALA   64  12.86 +/- 1.91   1.228% *  0.1813% (0.73   0.02   0.02) =   0.017%
          HB3   LEU  115 - QB    ALA   64  11.62 +/- 1.64   1.406% *  0.0937% (0.38   0.02   0.02) =   0.010%
          HG2   LYS+ 102 - QB    ALA   64  17.86 +/- 3.04   0.404% *  0.1908% (0.76   0.02   0.02) =   0.006%
          HB2   LEU   80 - QB    ALA   64  13.01 +/- 2.34   1.081% *  0.0623% (0.25   0.02   0.02) =   0.005%
          HD3   LYS+ 121 - QB    ALA   64  13.10 +/- 2.40   1.179% *  0.0385% (0.15   0.02   0.02) =   0.003%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2788 (1.44, 2.84, 53.98 ppm):
    13 chemical-shift based assignments, quality = 0.889, support = 2.21, residual support = 5.35:
          HB3   LEU   67 - HA    ALA   64   3.38 +/- 1.38  40.336% * 27.8481% (0.99   2.05   4.19) =  56.423%  kept
          QG    LYS+  66 - HA    ALA   64   6.24 +/- 0.88  15.020% * 33.7826% (0.98   2.52   8.59) =  25.488%  kept
          HG    LEU   67 - HA    ALA   64   4.33 +/- 1.25  25.472% * 10.2464% (0.28   2.69   4.19) =  13.110%  kept
          HG    LEU   73 - HA    ALA   64   9.31 +/- 1.03   2.524% * 20.3335% (0.87   1.71   4.18) =   2.578%  kept
          QB    ALA   61 - HA    ALA   64   6.49 +/- 0.39   6.977% *  6.6799% (0.92   0.53   6.18) =   2.341%  kept
          HG    LEU   40 - HA    ALA   64   8.78 +/- 1.17   4.539% *  0.1027% (0.38   0.02   0.02) =   0.023%
          HG12  ILE   19 - HA    ALA   64  10.37 +/- 2.61   1.820% *  0.1770% (0.65   0.02   0.02) =   0.016%
          QB    ALA  110 - HA    ALA   64  16.02 +/- 2.77   0.733% *  0.1986% (0.73   0.02   0.02) =   0.007%
          HB3   LEU  115 - HA    ALA   64  14.49 +/- 2.20   0.892% *  0.1027% (0.38   0.02   0.02) =   0.005%
          HG    LEU   80 - HA    ALA   64  17.61 +/- 3.53   0.382% *  0.2090% (0.76   0.02   0.02) =   0.004%
          HG2   LYS+ 102 - HA    ALA   64  21.51 +/- 3.95   0.225% *  0.2090% (0.76   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HA    ALA   64  15.29 +/- 3.48   0.690% *  0.0422% (0.15   0.02   0.02) =   0.001%
          HB2   LEU   80 - HA    ALA   64  16.98 +/- 2.57   0.391% *  0.0682% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2789 (2.28, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.763, support = 3.69, residual support = 46.9:
        T HB3   PHE   72 - QB    ALA   64   4.25 +/- 0.59  49.983% * 99.3598% (0.76 10.00   3.70  46.98) =  99.899%  kept
          HB2   ASP-  44 - QB    ALA   64   5.58 +/- 1.56  31.279% *  0.1128% (0.87  1.00   0.02   0.02) =   0.071%
          QG    GLU-  15 - QB    ALA   64  11.34 +/- 2.66   4.376% *  0.1230% (0.95  1.00   0.02   0.02) =   0.011%
          QG    GLU-  14 - QB    ALA   64  12.34 +/- 3.35   3.912% *  0.1086% (0.84  1.00   0.02   0.02) =   0.009%
          HG12  ILE  119 - QB    ALA   64  10.41 +/- 1.48   4.508% *  0.0443% (0.34  1.00   0.02   0.02) =   0.004%
          QG    GLN   90 - QB    ALA   64  14.45 +/- 2.11   1.987% *  0.0893% (0.69  1.00   0.02   0.02) =   0.004%
          QB    MET   11 - QB    ALA   64  17.96 +/- 3.00   0.861% *  0.1166% (0.90  1.00   0.02   0.02) =   0.002%
          HG2   MET   92 - QB    ALA   64  14.60 +/- 2.17   1.646% *  0.0228% (0.18  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  36 - QB    ALA   64  15.38 +/- 2.52   1.449% *  0.0228% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 1 structures by 0.59 A, kept.
 
    Peak 2790 (3.74, 0.40, 18.57 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 2.28, residual support = 6.18:
        T HA    ALA   61 - QB    ALA   64   3.24 +/- 0.56  62.593% * 99.2983% (1.00 10.00   2.29   6.18) =  99.854%  kept
          HD2   PRO   68 - QB    ALA   64   6.74 +/- 0.95  13.921% *  0.6087% (0.92  1.00   0.13   0.02) =   0.136%  kept
          HA    VAL   75 - QB    ALA   64   6.89 +/- 1.86  18.965% *  0.0248% (0.25  1.00   0.02   0.02) =   0.008%
          HD3   PRO   58 - QB    ALA   64  10.43 +/- 1.02   2.109% *  0.0484% (0.49  1.00   0.02   0.02) =   0.002%
          HA    VAL   24 - QB    ALA   64  11.03 +/- 1.91   2.413% *  0.0197% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 3.66 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2791 (3.99, 0.40, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.893, support = 3.19, residual support = 9.41:
          HA    VAL   18 - QB    ALA   64   6.19 +/- 3.76  40.986% * 95.7914% (0.90   3.21   9.46) =  99.453%  kept
          HA    VAL   70 - QB    ALA   64   5.92 +/- 0.94  31.760% *  0.2736% (0.41   0.02   0.02) =   0.220%  kept
          HA    SER   48 - QB    ALA   64  13.08 +/- 2.65   4.205% *  0.6295% (0.95   0.02   0.02) =   0.067%
          HA    GLU-  29 - QB    ALA   64  14.03 +/- 1.72   4.117% *  0.5773% (0.87   0.02   0.02) =   0.060%
          HA    GLN   32 - QB    ALA   64  14.11 +/- 1.98   4.322% *  0.4832% (0.73   0.02   0.02) =   0.053%
          HA    LYS+  33 - QB    ALA   64  13.78 +/- 1.71   3.915% *  0.4832% (0.73   0.02   0.02) =   0.048%
          HA    GLN  116 - QB    ALA   64  11.92 +/- 1.70   5.416% *  0.2736% (0.41   0.02   0.02) =   0.038%
          HD2   PRO   52 - QB    ALA   64  14.24 +/- 1.44   2.625% *  0.3501% (0.53   0.02   0.02) =   0.023%
          HB2   SER   82 - QB    ALA   64  17.14 +/- 1.86   1.252% *  0.6295% (0.95   0.02   0.02) =   0.020%
          HA    ALA   88 - QB    ALA   64  16.99 +/- 1.87   1.402% *  0.5086% (0.76   0.02   0.02) =   0.018%
    Distance limit 3.76 A violated in 4 structures by 0.77 A, kept.
 
    Peak 2792 (4.44, 0.40, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.502, support = 1.13, residual support = 0.856:
        T HA    GLN   17 - QB    ALA   64   8.23 +/- 4.09  32.708% * 93.9548% (0.49 10.00   1.18   0.89) =  96.287%  kept
        T HA    VAL   42 - QB    ALA   64   7.09 +/- 1.36  30.723% *  3.2149% (0.98 10.00   0.02   0.02) =   3.095%  kept
        T HA    PHE   55 - QB    ALA   64  13.37 +/- 1.99   6.856% *  2.2530% (0.69 10.00   0.02   0.02) =   0.484%  kept
          HA    THR   46 - QB    ALA   64  10.49 +/- 1.79  11.843% *  0.1348% (0.41  1.00   0.02   0.02) =   0.050%
          HA    SER   37 - QB    ALA   64  13.55 +/- 1.70   9.087% *  0.1596% (0.49  1.00   0.02   0.02) =   0.045%
          HA    GLN   90 - QB    ALA   64  15.03 +/- 2.16   4.138% *  0.1596% (0.49  1.00   0.02   0.02) =   0.021%
          HA    ALA  110 - QB    ALA   64  15.16 +/- 2.44   4.645% *  0.1231% (0.38  1.00   0.02   0.02) =   0.018%
    Distance limit 4.11 A violated in 9 structures by 1.71 A, kept.
 
    Peak 2793 (8.27, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.997, support = 2.24, residual support = 9.45:
          HN    VAL   18 - QB    ALA   64   6.88 +/- 3.89  65.680% * 99.5971% (1.00   2.25   9.46) =  99.911%  kept
          HN    GLU-  29 - QB    ALA   64  13.09 +/- 1.66  28.832% *  0.1557% (0.18   0.02   0.02) =   0.069%
          HN    SER   13 - QB    ALA   64  16.50 +/- 3.34   5.488% *  0.2472% (0.28   0.02   0.02) =   0.021%
    Distance limit 3.93 A violated in 10 structures by 3.09 A, kept.
 
    Peak 2795 (6.70, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.817, support = 5.71, residual support = 47.0:
        T QD    PHE   72 - QB    ALA   64   2.82 +/- 0.28  46.110% * 84.9093% (0.87 10.00   5.77  46.98) =  83.313%  kept
          HZ    PHE   72 - QB    ALA   64   2.76 +/- 0.96  52.191% * 15.0234% (0.57  1.00   5.42  46.98) =  16.685%  kept
          QE    PHE   45 - QB    ALA   64   9.00 +/- 1.69   1.698% *  0.0672% (0.69  1.00   0.02   0.02) =   0.002%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2796 (6.48, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 4.22, residual support = 20.8:
      O   HN    ALA   64 - QB    ALA   64   2.02 +/- 0.07 100.000% *100.0000% (0.57  10.0   4.22  20.77) = 100.000%  kept
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2797 (6.92, 3.96, 58.29 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.19, residual support = 159.7:
      O   HN    LYS+  65 - HA    LYS+  65   2.80 +/- 0.06  99.320% * 99.9887% (0.71  10.0   6.19 159.74) = 100.000%  kept
          HN    LYS+  65 - HA    LYS+ 121  16.39 +/- 2.55   0.680% *  0.0113% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2798 (8.65, 3.96, 58.29 ppm):
    6 chemical-shift based assignments, quality = 0.728, support = 0.02, residual support = 0.02:
          HN    GLY   16 - HA    LYS+  65  14.48 +/- 5.53  27.034% * 34.8898% (0.87   0.02   0.02) =  61.617%  kept
          HN    SER  117 - HA    LYS+  65  17.89 +/- 2.38   8.686% * 28.1870% (0.71   0.02   0.02) =  15.993%  kept
          HN    SER  117 - HA    LYS+ 121   9.15 +/- 0.82  51.817% *  3.1809% (0.08   0.02   0.02) =  10.767%  kept
          HN    SER   82 - HA    LYS+  65  21.47 +/- 2.92   5.738% * 26.7825% (0.67   0.02   0.02) =  10.040%  kept
          HN    GLY   16 - HA    LYS+ 121  23.42 +/- 5.35   4.263% *  3.9373% (0.10   0.02   0.02) =   1.097%  kept
          HN    SER   82 - HA    LYS+ 121  28.76 +/- 3.36   2.462% *  3.0224% (0.08   0.02   0.02) =   0.486%  kept
    Distance limit 3.50 A violated in 20 structures by 5.07 A, eliminated.
    Peak unassigned.
 
    Peak 2799 (6.93, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 4.87, residual support = 29.3:
          HN    LYS+  65 - QB    ALA   64   2.94 +/- 0.17 100.000% *100.0000% (0.31   4.87  29.27) = 100.000%  kept
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2800 (6.97, 2.84, 53.98 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 4.11, residual support = 47.0:
          QE    PHE   72 - HA    ALA   64   2.32 +/- 0.39  97.642% * 99.3513% (0.65   4.11  46.98) =  99.984%  kept
          HD22  ASN   28 - HA    ALA   64  15.14 +/- 3.24   2.358% *  0.6487% (0.87   0.02   0.02) =   0.016%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2801 (4.21, 1.80, 33.13 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 1.99, residual support = 4.21:
          HA    ASP-  62 - QB    LYS+  65   2.70 +/- 0.84  95.420% * 98.0415% (0.80   1.99   4.21) =  99.979%  kept
          HB    THR   26 - QB    LYS+  65  15.81 +/- 2.24   1.092% *  0.6974% (0.57   0.02   0.02) =   0.008%
          HA    SER   82 - QB    LYS+  65  21.07 +/- 2.78   0.637% *  0.7968% (0.65   0.02   0.02) =   0.005%
          HA    SER  117 - QB    LYS+  65  15.19 +/- 2.51   1.364% *  0.2742% (0.22   0.02   0.02) =   0.004%
          HA    GLU-  25 - QB    LYS+  65  18.53 +/- 3.86   1.486% *  0.1901% (0.15   0.02   0.02) =   0.003%
    Distance limit 3.50 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2802 (6.92, 1.80, 33.13 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 6.68, residual support = 159.7:
      O   HN    LYS+  65 - QB    LYS+  65   2.10 +/- 0.11 100.000% *100.0000% (0.76  10.0   6.68 159.74) = 100.000%  kept
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2803 (7.29, 1.80, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.529, support = 5.98, residual support = 30.5:
          HN    LYS+  66 - QB    LYS+  65   3.04 +/- 0.36  86.613% * 92.6765% (0.53   6.03  30.70) =  99.238%  kept
          QD    PHE   60 - QB    LYS+  65   7.10 +/- 0.79   9.104% *  6.6912% (0.97   0.24   0.02) =   0.753%  kept
          HN    LYS+  81 - QB    LYS+  65  17.93 +/- 2.91   0.858% *  0.5531% (0.95   0.02   0.02) =   0.006%
          QE    PHE   59 - QB    LYS+  65   9.39 +/- 0.96   3.424% *  0.0791% (0.14   0.02   0.02) =   0.003%
    Distance limit 3.10 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2804 (6.93, 1.50, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 5.37, residual support = 159.7:
          HN    LYS+  65 - HG2   LYS+  65   3.73 +/- 0.42 100.000% *100.0000% (0.31   5.37 159.74) = 100.000%  kept
    Distance limit 3.93 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2805 (3.97, 1.38, 25.13 ppm):
    44 chemical-shift based assignments, quality = 0.837, support = 5.24, residual support = 143.7:
      O T HA    LYS+  65 - HG3   LYS+  65   2.97 +/- 0.60  55.632% * 57.2471% (0.87  10.0 10.00   5.37 159.74) =  88.887%  kept
        T HA    GLN   32 - HG3   LYS+  33   5.89 +/- 0.71  10.125% * 39.1477% (0.59   1.0 10.00   4.18  15.25) =  11.063%  kept
        T HA    GLN   32 - HG3   LYS+ 102  18.05 +/- 6.80   0.792% *  0.3689% (0.56   1.0 10.00   0.02   0.02) =   0.008%
        T HA    LYS+  65 - HG3   LYS+  33  17.09 +/- 2.45   0.381% *  0.4944% (0.75   1.0 10.00   0.02   0.02) =   0.005%
          HA    SER   48 - HG3   LYS+  65  16.58 +/- 6.32   6.736% *  0.0271% (0.41   1.0  1.00   0.02   0.02) =   0.005%
        T HA    GLN   32 - HG3   LYS+  65  21.55 +/- 3.44   0.337% *  0.4533% (0.69   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LYS+  65 - HG3   LYS+ 106  19.08 +/- 3.09   0.566% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.004%
        T HD2   PRO   52 - HG3   LYS+ 106  19.32 +/- 3.58   0.424% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LYS+  65 - HG3   LYS+ 102  25.30 +/- 3.75   0.166% *  0.4659% (0.71   1.0 10.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - HG3   LYS+  33  12.38 +/- 3.11   1.511% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG3   LYS+ 106  19.47 +/- 3.45   0.325% *  0.1903% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          QB    SER   48 - HG3   LYS+  65  16.40 +/- 5.70   3.736% *  0.0165% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          HD2   PRO   52 - HG3   LYS+  65  17.60 +/- 3.98   0.881% *  0.0572% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HG3   LYS+  65  16.23 +/- 6.20   0.872% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HG3   LYS+ 106  16.49 +/- 5.72   0.859% *  0.0375% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HG3   LYS+  65  18.49 +/- 2.89   0.361% *  0.0893% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HG3   LYS+ 106  13.49 +/- 2.60   1.497% *  0.0179% (0.27   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HG3   LYS+ 102  22.71 +/- 7.37   0.369% *  0.0727% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HG3   LYS+ 102  23.26 +/- 6.00   0.452% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HG3   LYS+  33  24.50 +/- 4.80   0.214% *  0.0771% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 106  15.12 +/- 2.65   0.730% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  65  16.74 +/- 3.56   1.332% *  0.0116% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  18.88 +/- 4.03   1.333% *  0.0114% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 102  19.87 +/- 3.61   0.351% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 106   8.95 +/- 1.34   2.951% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  19.96 +/- 3.06   0.373% *  0.0347% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 106  17.60 +/- 4.10   1.864% *  0.0069% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 106  22.22 +/- 4.95   0.568% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  33  21.54 +/- 4.22   0.270% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  65  17.03 +/- 2.39   0.405% *  0.0296% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  65  22.15 +/- 3.19   0.225% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  23.88 +/- 3.93   0.281% *  0.0369% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  23.94 +/- 3.74   0.198% *  0.0427% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  28.04 +/- 3.96   0.126% *  0.0494% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  24.48 +/- 4.36   0.258% *  0.0234% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 106  17.78 +/- 4.07   0.481% *  0.0124% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 102  24.94 +/- 5.47   0.417% *  0.0134% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  27.26 +/- 5.37   0.232% *  0.0221% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  29.31 +/- 4.09   0.098% *  0.0466% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 102  25.18 +/- 5.15   0.182% *  0.0241% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  33  25.85 +/- 4.34   0.168% *  0.0256% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  33  22.85 +/- 4.18   0.295% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  33  20.86 +/- 2.84   0.326% *  0.0100% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 102  19.00 +/- 1.42   0.300% *  0.0094% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2806 (7.81, 1.38, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.344, support = 2.78, residual support = 21.6:
          HN    ASP- 105 - HG3   LYS+ 106   4.48 +/- 0.41  75.703% * 76.1670% (0.34   2.85  22.22) =  97.319%  kept
          HN    ASP- 105 - HG3   LYS+ 102   9.92 +/- 0.81   8.388% * 17.9074% (0.65   0.35   0.02) =   2.535%  kept
          HN    ALA   88 - HG3   LYS+ 106  12.88 +/- 2.51   5.262% *  0.3781% (0.24   0.02   0.02) =   0.034%
          HN    ASP- 105 - HG3   LYS+  65  19.65 +/- 3.16   1.449% *  1.2743% (0.80   0.02   0.02) =   0.031%
          HN    ASP- 105 - HG3   LYS+  33  18.88 +/- 2.97   1.247% *  1.1004% (0.69   0.02   0.02) =   0.023%
          HN    ALA   88 - HG3   LYS+ 102  18.93 +/- 3.23   1.408% *  0.7332% (0.46   0.02   0.02) =   0.017%
          HN    ALA   88 - HG3   LYS+  65  23.08 +/- 3.44   0.823% *  0.9010% (0.57   0.02   0.02) =   0.013%
          HN    ALA   88 - HG3   LYS+  33  22.29 +/- 3.91   0.902% *  0.7780% (0.49   0.02   0.02) =   0.012%
          HN    PHE   55 - HG3   LYS+  65  15.87 +/- 2.33   2.803% *  0.2455% (0.15   0.02   0.02) =   0.012%
          HN    PHE   55 - HG3   LYS+ 106  19.02 +/- 2.51   1.241% *  0.1031% (0.06   0.02   0.02) =   0.002%
          HN    PHE   55 - HG3   LYS+  33  27.61 +/- 3.92   0.428% *  0.2120% (0.13   0.02   0.02) =   0.002%
          HN    PHE   55 - HG3   LYS+ 102  28.93 +/- 3.18   0.345% *  0.1998% (0.13   0.02   0.02) =   0.001%
    Distance limit 4.24 A violated in 0 structures by 0.32 A, kept.
 
    Peak 2807 (7.29, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.2, residual support = 118.4:
      O   HN    LYS+  66 - HA    LYS+  66   2.89 +/- 0.05  95.693% * 99.6126% (0.53  10.0   5.20 118.45) =  99.995%  kept
          QD    PHE   60 - HA    LYS+  66  10.38 +/- 0.60   2.167% *  0.1827% (0.97   1.0   0.02   0.02) =   0.004%
          QE    PHE   59 - HA    LYS+  66  12.33 +/- 2.32   1.877% *  0.0256% (0.14   1.0   0.02   0.02) =   0.001%
          HN    LYS+  81 - HA    LYS+  66  22.59 +/- 2.64   0.263% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2808 (7.29, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.39, residual support = 118.4:
      O   HN    LYS+  66 - QB    LYS+  66   2.29 +/- 0.13  94.954% * 99.6126% (0.53  10.0   5.39 118.45) =  99.995%  kept
          QD    PHE   60 - QB    LYS+  66   8.34 +/- 0.63   2.086% *  0.1827% (0.97   1.0   0.02   0.02) =   0.004%
          QE    PHE   59 - QB    LYS+  66   9.50 +/- 2.46   2.797% *  0.0256% (0.14   1.0   0.02   0.02) =   0.001%
          HN    LYS+  81 - QB    LYS+  66  19.93 +/- 2.10   0.163% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2809 (7.29, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 0.513, support = 4.94, residual support = 115.6:
          HN    LYS+  66 - QG    LYS+  66   3.33 +/- 0.61  52.619% * 93.1348% (0.53   4.98 118.45) =  97.221%  kept
          HN    LYS+  66 - HG    LEU   67   5.11 +/- 1.20  25.781% *  5.2976% (0.04   3.68  15.68) =   2.709%  kept
          QD    PHE   60 - QG    LYS+  66   8.96 +/- 1.08   2.979% *  0.6864% (0.97   0.02   0.02) =   0.041%
          QE    PHE   59 - QG    LYS+  66   9.99 +/- 2.94   8.390% *  0.0963% (0.14   0.02   0.02) =   0.016%
          QD    PHE   60 - HG    LEU   67   8.92 +/- 2.03   7.148% *  0.0528% (0.07   0.02   0.02) =   0.007%
          HN    LYS+  81 - QG    LYS+  66  20.40 +/- 2.46   0.347% *  0.6728% (0.95   0.02   0.02) =   0.005%
          QE    PHE   59 - HG    LEU   67  12.14 +/- 2.99   2.417% *  0.0074% (0.01   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG    LEU   67  21.13 +/- 2.52   0.319% *  0.0518% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2810 (7.29, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 0.526, support = 5.01, residual support = 118.3:
          HN    LYS+  66 - QD    LYS+  66   4.10 +/- 0.59  58.606% * 98.2373% (0.53   5.01 118.45) =  99.912%  kept
          QD    PHE   60 - QD    LYS+  66   9.98 +/- 1.09   4.446% *  0.7189% (0.97   0.02   0.02) =   0.055%
          QD    PHE   60 - HD2   LYS+ 121  11.43 +/- 2.55   6.321% *  0.0894% (0.12   0.02   0.02) =   0.010%
          QE    PHE   59 - QD    LYS+  66  10.95 +/- 2.97   4.681% *  0.1008% (0.14   0.02   0.02) =   0.008%
          HN    LYS+  81 - QD    LYS+  66  21.16 +/- 2.46   0.573% *  0.7047% (0.95   0.02   0.02) =   0.007%
          QE    PHE   59 - HD2   LYS+ 121   6.41 +/- 1.31  22.792% *  0.0125% (0.02   0.02   0.02) =   0.005%
          HN    LYS+  66 - HD2   LYS+ 121  14.61 +/- 3.27   2.276% *  0.0487% (0.07   0.02   0.02) =   0.002%
          HN    LYS+  81 - HD2   LYS+ 121  25.69 +/- 3.11   0.306% *  0.0876% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2811 (1.45, 1.98, 42.52 ppm):
    13 chemical-shift based assignments, quality = 0.486, support = 3.63, residual support = 60.4:
      O T HB3   LEU   67 - HB2   LEU   67   1.75 +/- 0.00  71.317% * 41.3046% (0.47  10.0 10.00   3.08  60.78) =  73.321%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.66 +/- 0.28  22.361% * 46.3643% (0.53  10.0  1.00   5.16  60.78) =  25.806%  kept
          QG    LYS+  66 - HB2   LEU   67   5.94 +/- 1.18   3.179% * 10.8612% (0.61   1.0  1.00   4.07  15.68) =   0.859%  kept
        T HG    LEU   40 - HB2   LEU   67   8.79 +/- 1.51   0.775% *  0.5333% (0.61   1.0 10.00   0.02   0.02) =   0.010%
        T HB3   LEU  115 - HB2   LEU   67  16.46 +/- 2.63   0.119% *  0.5333% (0.61   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU  115 - HB2   LEU   67  15.63 +/- 1.91   0.120% *  0.1775% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HB2   LEU   67   8.87 +/- 0.96   0.632% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   LEU   67  11.33 +/- 1.18   0.300% *  0.0616% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   LEU   67  17.44 +/- 3.72   0.440% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   LEU   67  11.31 +/- 2.88   0.459% *  0.0142% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   LEU   67  21.79 +/- 4.97   0.065% *  0.0637% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  15.29 +/- 3.33   0.163% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB2   LEU   67  19.29 +/- 3.29   0.071% *  0.0197% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2812 (0.99, 1.98, 42.52 ppm):
    7 chemical-shift based assignments, quality = 0.699, support = 3.24, residual support = 60.6:
      O T QD1   LEU   67 - HB2   LEU   67   2.45 +/- 0.30  74.871% * 97.7568% (0.70  10.0 10.00   3.25  60.78) =  99.744%  kept
          QD2   LEU   71 - HB2   LEU   67   6.47 +/- 1.38  13.008% *  0.9862% (0.22   1.0  1.00   0.63   0.02) =   0.175%  kept
        T QD2   LEU   40 - HB2   LEU   67   8.07 +/- 1.94   5.485% *  0.9929% (0.71   1.0 10.00   0.02   0.02) =   0.074%
          HB    VAL   75 - HB2   LEU   67  10.16 +/- 1.83   3.057% *  0.0696% (0.50   1.0  1.00   0.02   0.02) =   0.003%
          QG2   ILE  103 - HB2   LEU   67  14.81 +/- 3.48   1.610% *  0.0908% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HB2   LEU   67  11.21 +/- 2.92   1.281% *  0.0811% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   LEU   67  15.92 +/- 3.40   0.687% *  0.0226% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2813 (5.01, 0.92, 24.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.76, residual support = 60.8:
          HA    LEU   67 - QD2   LEU   67   2.99 +/- 0.65  96.411% * 98.8214% (0.53   2.76  60.78) =  99.956%  kept
          HA    ASP-  76 - QD2   LEU   67  12.22 +/- 2.00   3.589% *  1.1786% (0.87   0.02   0.02) =   0.044%
    Distance limit 2.99 A violated in 0 structures by 0.30 A, kept.
 
    Peak 2814 (1.47, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.725, support = 3.11, residual support = 60.7:
      O   HG    LEU   67 - QD1   LEU   67   2.10 +/- 0.02  81.771% * 96.8242% (0.73  10.0  1.00   3.11  60.78) =  99.909%  kept
        T HB2   LYS+  74 - QD1   LEU   67   7.57 +/- 2.35   6.805% *  0.4115% (0.31   1.0 10.00   0.02   0.02) =   0.035%
        T HG    LEU   40 - QD1   LEU   67   7.04 +/- 1.48   3.275% *  0.8087% (0.61   1.0 10.00   0.02   0.02) =   0.033%
        T HG    LEU  115 - QD1   LEU   67  12.41 +/- 1.86   0.556% *  1.3334% (1.00   1.0 10.00   0.02   0.02) =   0.009%
          HB3   LEU   40 - QD1   LEU   67   7.77 +/- 1.96   3.568% *  0.1231% (0.92   1.0  1.00   0.02   0.02) =   0.006%
        T HG    LEU   73 - QD1   LEU   67   8.51 +/- 1.54   1.698% *  0.2335% (0.18   1.0 10.00   0.02   0.02) =   0.005%
          QB    ALA  120 - QD1   LEU   67  12.52 +/- 3.01   0.642% *  0.1333% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QD1   LEU   67  13.13 +/- 2.45   0.686% *  0.0809% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QD1   LEU   67  10.93 +/- 1.58   0.744% *  0.0180% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   67  17.83 +/- 4.20   0.256% *  0.0332% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2815 (1.99, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.327, support = 3.21, residual support = 59.5:
      O T HB2   LEU   67 - QD1   LEU   67   2.45 +/- 0.30  74.573% * 75.9868% (0.31  10.0 10.00   3.25  60.78) =  96.943%  kept
          HG2   PRO   68 - QD1   LEU   67   6.47 +/- 1.11   7.691% * 22.9526% (0.92   1.0  1.00   2.02  19.86) =   3.020%  kept
          HB    ILE   19 - QD1   LEU   67   9.23 +/- 2.60   2.975% *  0.2136% (0.87   1.0  1.00   0.02   0.02) =   0.011%
          HB2   GLN   17 - QD1   LEU   67   9.57 +/- 3.70   7.929% *  0.0685% (0.28   1.0  1.00   0.02   0.02) =   0.009%
          QB    GLU- 114 - QD1   LEU   67  14.12 +/- 3.35   1.935% *  0.1971% (0.80   1.0  1.00   0.02   0.02) =   0.007%
          HB2   LEU  115 - QD1   LEU   67  13.30 +/- 2.56   1.975% *  0.1691% (0.69   1.0  1.00   0.02   0.02) =   0.006%
          QB    GLU-  15 - QD1   LEU   67  11.37 +/- 3.28   1.613% *  0.0685% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HG3   PRO   58 - QD1   LEU   67  13.23 +/- 1.71   0.571% *  0.1788% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - QD1   LEU   67  16.94 +/- 1.98   0.275% *  0.1104% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - QD1   LEU   67  17.07 +/- 3.33   0.466% *  0.0548% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2816 (0.93, 1.46, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.865, support = 3.21, residual support = 60.7:
      O   QD2   LEU   67 - HG    LEU   67   2.11 +/- 0.02  75.987% * 98.2539% (0.87  10.0  1.00   3.21  60.78) =  99.742%  kept
          QD2   LEU   67 - QG    LYS+  66   4.98 +/- 1.54  16.913% *  1.0350% (0.07   1.0  1.00   2.74  15.68) =   0.234%  kept
        T QD1   LEU   40 - HG    LEU   67   7.49 +/- 1.31   2.592% *  0.6870% (0.61   1.0 10.00   0.02   0.02) =   0.024%
          QG2   ILE  119 - HG    LEU   67  11.86 +/- 2.86   0.716% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG    LYS+  66   9.84 +/- 1.21   0.866% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QG    LYS+  66   8.98 +/- 2.98   2.926% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2817 (0.63, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.761, support = 0.02, residual support = 0.02:
          QG2   ILE   89 - QD1   LEU   67  11.67 +/- 1.55  32.670% * 52.9912% (0.98   0.02   0.02) =  56.354%  kept
          QG1   VAL   83 - QD1   LEU   67  12.98 +/- 2.27  23.127% * 34.9728% (0.65   0.02   0.02) =  26.328%  kept
          QD1   LEU  104 - QD1   LEU   67  10.51 +/- 3.52  44.204% * 12.0360% (0.22   0.02   0.02) =  17.319%  kept
    Distance limit 3.19 A violated in 19 structures by 5.66 A, eliminated.
    Peak unassigned.
 
    Peak 2818 (6.71, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.838, support = 3.1, residual support = 28.5:
        T HZ    PHE   72 - QD1   LEU   67   3.27 +/- 0.49  50.836% * 75.7718% (0.97 10.00   3.58  28.53) =  77.050%  kept
        T QD    PHE   72 - QD1   LEU   67   3.49 +/- 0.94  47.393% * 24.2087% (0.41 10.00   1.50  28.53) =  22.950%  kept
          QE    PHE   45 - QD1   LEU   67  10.57 +/- 1.88   1.771% *  0.0196% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2819 (7.00, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 3.99, residual support = 28.5:
          QE    PHE   72 - QD1   LEU   67   2.39 +/- 0.54  91.186% * 99.2519% (0.80   3.99  28.53) =  99.978%  kept
          QD    PHE   95 - QD1   LEU   67   9.39 +/- 2.57   7.920% *  0.1915% (0.31   0.02   0.02) =   0.017%
          HN    ALA   47 - QD1   LEU   67  13.50 +/- 2.20   0.893% *  0.5566% (0.90   0.02   0.02) =   0.005%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2820 (4.10, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.659, support = 0.02, residual support = 0.02:
        T HA    ARG+  54 - HG    LEU   67  16.76 +/- 4.08   9.429% * 57.9196% (0.73 10.00   0.02   0.02) =  67.818%  kept
        T HA    LEU  115 - HG    LEU   67  16.20 +/- 2.89   6.832% * 15.7849% (0.20 10.00   0.02   0.02) =  13.392%  kept
          HA    ALA  124 - HG    LEU   67  19.23 +/- 6.00   7.917% *  6.6623% (0.84  1.00   0.02   0.02) =   6.550%  kept
          HA    GLU-  36 - HG    LEU   67  18.48 +/- 2.87   5.184% *  7.5452% (0.95  1.00   0.02   0.02) =   4.857%  kept
          HA    LYS+  81 - HG    LEU   67  20.72 +/- 2.53   3.564% *  7.9057% (0.99  1.00   0.02   0.02) =   3.499%  kept
          HA    ASN   28 - HG    LEU   67  17.35 +/- 3.41   5.891% *  1.7758% (0.22  1.00   0.02   0.02) =   1.299%  kept
          HA    ALA  124 - QG    LYS+  66  15.72 +/- 5.14  14.248% *  0.5129% (0.06  1.00   0.02   0.02) =   0.907%  kept
          HA    ARG+  54 - QG    LYS+  66  13.68 +/- 2.95  13.994% *  0.4459% (0.06  1.00   0.02   0.02) =   0.775%  kept
          HA    LYS+  81 - QG    LYS+  66  20.12 +/- 2.36   3.201% *  0.6086% (0.08  1.00   0.02   0.02) =   0.242%  kept
          HA    GLU-  36 - QG    LYS+  66  20.38 +/- 3.39   3.344% *  0.5808% (0.07  1.00   0.02   0.02) =   0.241%  kept
          HA    LEU  115 - QG    LYS+  66  13.95 +/- 3.69  15.138% *  0.1215% (0.02  1.00   0.02   0.02) =   0.228%  kept
          HA    ASN   28 - QG    LYS+  66  18.43 +/- 5.29  11.259% *  0.1367% (0.02  1.00   0.02   0.02) =   0.191%  kept
    Distance limit 4.00 A violated in 18 structures by 4.44 A, eliminated.
    Peak unassigned.
 
    Peak 2821 (5.02, 1.46, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.154, support = 3.85, residual support = 60.5:
      O   HA    LEU   67 - HG    LEU   67   3.01 +/- 0.58  69.062% * 98.0727% (0.15  10.0   3.86  60.78) =  99.454%  kept
          HA    LEU   67 - QG    LYS+  66   4.91 +/- 1.15  28.666% *  1.2667% (0.01   1.0   3.36  15.68) =   0.533%  kept
          HA    ASP-  76 - HG    LEU   67  14.15 +/- 2.36   1.359% *  0.6134% (0.97   1.0   0.02   0.02) =   0.012%
          HA    ASP-  76 - QG    LYS+  66  13.72 +/- 2.44   0.914% *  0.0472% (0.07   1.0   0.02   0.02) =   0.001%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2822 (7.31, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.524, support = 0.02, residual support = 0.02:
          HE3   TRP   27 - HG    LEU   67  13.16 +/- 2.32   8.299% * 26.7757% (0.87   0.02   0.02) =  33.854%  kept
          QE    PHE   95 - HG    LEU   67  12.27 +/- 3.24  11.700% * 11.5851% (0.38   0.02   0.02) =  20.651%  kept
          QD    PHE   60 - HG    LEU   67   8.92 +/- 2.03  20.819% *  5.4059% (0.18   0.02   0.02) =  17.146%  kept
          QD    PHE   55 - HG    LEU   67  17.15 +/- 3.13   2.744% * 24.7171% (0.80   0.02   0.02) =  10.333%  kept
          HN    THR   23 - HG    LEU   67  16.44 +/- 2.47   3.969% * 10.5293% (0.34   0.02   0.02) =   6.367%  kept
          HN    LYS+  81 - HG    LEU   67  21.13 +/- 2.52   1.566% * 13.8391% (0.45   0.02   0.02) =   3.302%  kept
          HE3   TRP   27 - QG    LYS+  66  14.90 +/- 3.19   9.620% *  2.0612% (0.07   0.02   0.02) =   3.021%  kept
          QD    PHE   55 - QG    LYS+  66  14.08 +/- 2.88   6.440% *  1.9027% (0.06   0.02   0.02) =   1.867%  kept
          QE    PHE   95 - QG    LYS+  66  11.79 +/- 3.39  12.090% *  0.8918% (0.03   0.02   0.02) =   1.643%  kept
          QD    PHE   60 - QG    LYS+  66   8.96 +/- 1.08  17.519% *  0.4162% (0.01   0.02   0.02) =   1.111%  kept
          HN    THR   23 - QG    LYS+  66  16.69 +/- 2.93   3.702% *  0.8106% (0.03   0.02   0.02) =   0.457%  kept
          HN    LYS+  81 - QG    LYS+  66  20.40 +/- 2.46   1.531% *  1.0653% (0.03   0.02   0.02) =   0.248%  kept
    Distance limit 3.80 A violated in 17 structures by 2.83 A, eliminated.
    Peak unassigned.
 
    Peak 2823 (1.99, 1.43, 42.52 ppm):
    10 chemical-shift based assignments, quality = 0.299, support = 3.07, residual support = 60.2:
      O T HB2   LEU   67 - HB3   LEU   67   1.75 +/- 0.00  91.385% * 73.7691% (0.29  10.0 10.00   3.08  60.78) =  98.709%  kept
          HG2   PRO   68 - HB3   LEU   67   6.07 +/- 1.08   3.722% * 23.3353% (0.87   1.0  1.00   2.12  19.86) =   1.272%  kept
        T HB    ILE   19 - HB3   LEU   67  11.55 +/- 2.69   0.431% *  2.0732% (0.82   1.0 10.00   0.02   0.02) =   0.013%
          QB    GLU- 114 - HB3   LEU   67  17.49 +/- 4.02   0.969% *  0.1914% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HB2   GLN   17 - HB3   LEU   67  11.13 +/- 4.62   2.593% *  0.0665% (0.26   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU  115 - HB3   LEU   67  16.45 +/- 2.78   0.186% *  0.1642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LEU   67  13.33 +/- 3.91   0.400% *  0.0665% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   67  16.09 +/- 1.94   0.132% *  0.1736% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LEU   67  20.96 +/- 2.71   0.067% *  0.1072% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   LEU   67  21.09 +/- 3.59   0.115% *  0.0532% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2824 (5.03, 1.43, 42.52 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 0.02, residual support = 0.02:
          HA    ASP-  76 - HB3   LEU   67  13.87 +/- 2.00 100.000% *100.0000% (0.54   0.02   0.02) = 100.000%  kept
    Distance limit 3.70 A violated in 20 structures by 10.17 A, eliminated.
    Peak unassigned.
 
    Peak 2825 (7.36, 1.43, 42.52 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.54, residual support = 60.8:
      O   HN    LEU   67 - HB3   LEU   67   3.05 +/- 0.63  89.597% * 99.4441% (0.54  10.0   4.54  60.78) =  99.990%  kept
          HD21  ASN   35 - HB3   LEU   67  18.17 +/- 3.60   2.061% *  0.1524% (0.82   1.0   0.02   0.02) =   0.004%
          HD2   HIS   22 - HB3   LEU   67  15.63 +/- 3.06   1.647% *  0.1722% (0.93   1.0   0.02   0.02) =   0.003%
          QE    PHE   95 - HB3   LEU   67  12.26 +/- 3.05   4.987% *  0.0348% (0.19   1.0   0.02   0.02) =   0.002%
          HD1   TRP   49 - HB3   LEU   67  20.92 +/- 3.43   0.535% *  0.1575% (0.85   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - HB3   LEU   67  15.71 +/- 2.28   1.173% *  0.0391% (0.21   1.0   0.02   0.02) =   0.001%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2826 (5.01, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.382, support = 5.07, residual support = 60.8:
      O   HA    LEU   67 - HB2   LEU   67   2.72 +/- 0.23  98.812% * 99.8354% (0.38  10.0   5.07  60.78) =  99.998%  kept
          HA    ASP-  76 - HB2   LEU   67  13.90 +/- 2.21   1.188% *  0.1646% (0.63   1.0   0.02   0.02) =   0.002%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2827 (7.00, 1.98, 42.52 ppm):
    3 chemical-shift based assignments, quality = 0.581, support = 3.17, residual support = 28.5:
          QE    PHE   72 - HB2   LEU   67   3.38 +/- 0.79  92.321% * 99.0595% (0.58   3.17  28.53) =  99.974%  kept
          QD    PHE   95 - HB2   LEU   67  12.30 +/- 2.52   6.602% *  0.2408% (0.22   0.02   0.02) =   0.017%
          HN    ALA   47 - HB2   LEU   67  17.22 +/- 2.75   1.077% *  0.6997% (0.65   0.02   0.02) =   0.008%
    Distance limit 3.76 A violated in 1 structures by 0.11 A, kept.
 
    Peak 2828 (7.35, 1.98, 42.52 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 5.16, residual support = 60.8:
      O   HN    LEU   67 - HB2   LEU   67   3.18 +/- 0.60  88.910% * 99.6033% (0.70  10.0   5.16  60.78) =  99.993%  kept
          QE    PHE   95 - HB2   LEU   67  12.49 +/- 2.74   3.353% *  0.0626% (0.44   1.0   0.02   0.02) =   0.002%
          HD2   HIS   22 - HB2   LEU   67  15.61 +/- 3.26   1.852% *  0.0862% (0.61   1.0   0.02   0.02) =   0.002%
          HN    THR   23 - HB2   LEU   67  15.69 +/- 2.44   1.108% *  0.0668% (0.47   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB2   LEU   67  18.07 +/- 3.54   1.046% *  0.0424% (0.30   1.0   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB2   LEU   67  21.04 +/- 4.07   0.431% *  0.0976% (0.69   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LEU   67  12.43 +/- 2.23   2.272% *  0.0181% (0.13   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   LEU   67  17.63 +/- 3.05   1.028% *  0.0230% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2831 (6.72, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.06, residual support = 28.5:
        T HZ    PHE   72 - HB2   LEU   67   4.70 +/- 1.09  86.097% * 99.9822% (0.63 10.00   3.06  28.53) =  99.997%  kept
          HZ2   TRP   27 - HB2   LEU   67  14.51 +/- 4.21  13.903% *  0.0178% (0.11  1.00   0.02   0.02) =   0.003%
    Distance limit 4.04 A violated in 5 structures by 0.86 A, kept.
 
    Peak 2832 (3.78, 2.11, 31.99 ppm):
    6 chemical-shift based assignments, quality = 0.544, support = 4.05, residual support = 63.4:
      O T HA    VAL   24 - HB    VAL   24   2.49 +/- 0.24  76.499% * 82.3820% (0.57  10.0 10.00   3.97  64.95) =  94.673%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.89 +/- 0.16  21.623% * 16.3856% (0.11  10.0  1.00   5.47  36.33) =   5.322%  kept
        T HA    VAL   24 - HB2   PRO   68  21.41 +/- 3.21   0.169% *  1.0113% (0.70   1.0 10.00   0.02   0.02) =   0.003%
          HA    LYS+  38 - HB2   PRO   68  16.17 +/- 3.10   1.182% *  0.1145% (0.79   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  38 - HB    VAL   24  18.57 +/- 2.52   0.247% *  0.0933% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  20.50 +/- 3.75   0.281% *  0.0133% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2833 (1.11, 2.11, 31.99 ppm):
    12 chemical-shift based assignments, quality = 0.628, support = 3.23, residual support = 64.9:
      O T QG1   VAL   24 - HB    VAL   24   2.12 +/- 0.01  94.663% * 98.0584% (0.63  10.0 10.00   3.23  64.95) =  99.994%  kept
        T QG1   VAL   24 - HB2   PRO   68  19.91 +/- 3.54   0.213% *  1.2037% (0.77   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LEU   31 - HB    VAL   24  11.51 +/- 0.90   0.634% *  0.0730% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  14.25 +/- 3.38   1.669% *  0.0258% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  18.91 +/- 3.48   0.451% *  0.0896% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  16.49 +/- 3.63   0.390% *  0.0844% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.61 +/- 3.32   0.344% *  0.0791% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24  10.07 +/- 0.84   0.965% *  0.0210% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  17.02 +/- 2.58   0.281% *  0.0644% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  22.34 +/- 3.91   0.132% *  0.1278% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  21.41 +/- 4.20   0.170% *  0.0687% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  24.82 +/- 4.84   0.086% *  0.1041% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2834 (8.80, 2.11, 31.99 ppm):
    8 chemical-shift based assignments, quality = 0.352, support = 5.67, residual support = 30.8:
      O   HN    ASN   69 - HB2   PRO   68   3.69 +/- 0.50  43.616% * 67.2770% (0.34  10.0   5.84  31.07) =  76.666%  kept
          HN    GLU-  25 - HB    VAL   24   3.82 +/- 0.55  39.717% * 17.5537% (0.31   1.0   5.87  34.03) =  18.215%  kept
          HN    ASN   28 - HB    VAL   24   5.64 +/- 0.38  13.275% * 14.7386% (0.66   1.0   2.29  14.83) =   5.112%  kept
          HN    ASP-  44 - HB    VAL   24  12.27 +/- 2.69   1.718% *  0.0649% (0.33   1.0   0.02   0.02) =   0.003%
          HN    ASN   28 - HB2   PRO   68  21.48 +/- 3.13   0.327% *  0.1579% (0.81   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - HB2   PRO   68  15.94 +/- 1.68   0.615% *  0.0797% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ASN   69 - HB    VAL   24  20.47 +/- 3.20   0.464% *  0.0548% (0.28   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HB2   PRO   68  23.97 +/- 3.81   0.268% *  0.0734% (0.37   1.0   0.02   0.02) =   0.001%
    Distance limit 3.49 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2835 (9.23, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.331, support = 4.68, residual support = 64.9:
      O   HN    VAL   24 - HB    VAL   24   2.54 +/- 0.28  99.726% * 99.8774% (0.33  10.0   4.68  64.95) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  22.86 +/- 3.78   0.274% *  0.1226% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2836 (3.34, 1.98, 27.31 ppm):
    6 chemical-shift based assignments, quality = 0.574, support = 3.11, residual support = 36.3:
      O   HD3   PRO   68 - HG2   PRO   68   2.63 +/- 0.30  97.383% * 99.5120% (0.57  10.0   3.11  36.33) =  99.997%  kept
          HD2   ARG+  54 - HG2   PRO   68  20.78 +/- 5.09   0.519% *  0.1189% (0.69   1.0   0.02   0.02) =   0.001%
          HB3   CYS   53 - HG2   PRO   68  19.18 +/- 3.48   0.442% *  0.1168% (0.67   1.0   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG2   PRO   68  14.83 +/- 2.72   0.793% *  0.0580% (0.33   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   PRO   68  18.35 +/- 2.90   0.462% *  0.0910% (0.52   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG2   PRO   68  22.22 +/- 3.76   0.402% *  0.1033% (0.60   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2837 (3.75, 1.98, 27.31 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.91, residual support = 36.3:
      O   HD2   PRO   68 - HG2   PRO   68   2.56 +/- 0.29  94.314% * 99.8205% (0.63  10.0   2.91  36.33) =  99.998%  kept
          HA    ALA   61 - HG2   PRO   68  11.77 +/- 1.64   1.423% *  0.0826% (0.52   1.0   0.02   0.02) =   0.001%
          HA    LYS+  38 - HG2   PRO   68  16.30 +/- 3.20   3.519% *  0.0167% (0.11   1.0   0.02   0.02) =   0.001%
          HA    VAL   24 - HG2   PRO   68  21.07 +/- 2.90   0.255% *  0.0656% (0.42   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   PRO   68  17.73 +/- 2.64   0.489% *  0.0146% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2838 (3.34, 1.86, 27.31 ppm):
    12 chemical-shift based assignments, quality = 0.711, support = 4.86, residual support = 62.7:
      O   HD3   PRO   68 - HG3   PRO   68   2.57 +/- 0.30  42.790% * 69.3949% (0.84  10.0  1.00   4.85  36.33) =  78.298%  kept
      O T HD2   ARG+  54 - HG2   ARG+  54   2.79 +/- 0.26  34.226% * 22.1205% (0.27  10.0 10.00   5.01 170.49) =  19.963%  kept
          QB    PHE   55 - HG2   ARG+  54   4.53 +/- 1.59  16.571% *  3.0176% (0.20   1.0  1.00   3.56   4.31) =   1.319%  kept
          HB3   CYS   53 - HG2   ARG+  54   6.36 +/- 0.61   3.629% *  4.3321% (0.26   1.0  1.00   3.99  32.13) =   0.415%  kept
        T HD2   ARG+  54 - HG3   PRO   68  20.90 +/- 5.30   0.150% *  0.8290% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          HD3   PRO   93 - HG2   ARG+  54  12.75 +/- 3.51   0.805% *  0.0192% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  14.93 +/- 2.73   0.361% *  0.0404% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  19.30 +/- 3.57   0.148% *  0.0814% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  10.36 +/- 1.86   0.895% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  18.38 +/- 3.24   0.150% *  0.0635% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  22.34 +/- 3.69   0.099% *  0.0721% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  18.77 +/- 4.04   0.176% *  0.0185% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2839 (3.75, 1.86, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 4.62, residual support = 36.3:
      O   HD2   PRO   68 - HG3   PRO   68   2.62 +/- 0.29  88.083% * 99.5569% (0.92  10.0  1.00   4.62  36.33) =  99.991%  kept
        T HA    LYS+  38 - HG3   PRO   68  16.02 +/- 3.44   3.727% *  0.1664% (0.15   1.0 10.00   0.02   0.02) =   0.007%
          HA    ALA   61 - HG3   PRO   68  12.00 +/- 1.44   1.252% *  0.0824% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   61 - HG2   ARG+  54  13.35 +/- 2.18   1.090% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   PRO   68  21.01 +/- 2.93   0.264% *  0.0654% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   ARG+  54   8.42 +/- 1.58   4.063% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HG2   ARG+  54  19.59 +/- 3.98   0.558% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   ARG+  54  22.98 +/- 5.03   0.491% *  0.0175% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG3   PRO   68  17.91 +/- 2.51   0.356% *  0.0146% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG2   ARG+  54  28.75 +/- 4.75   0.116% *  0.0444% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2840 (3.33, 3.75, 50.60 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.21, residual support = 36.3:
      O T HD3   PRO   68 - HD2   PRO   68   1.75 +/- 0.00  86.137% * 98.5022% (0.98  10.0 10.00   5.21  36.33) =  99.997%  kept
        T HD3   PRO   93 - HD2   PRO   68  21.09 +/- 3.30   0.076% *  0.9698% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HD3   PRO   58   5.26 +/- 1.00   5.197% *  0.0070% (0.07   1.0  1.00   0.02  39.97) =   0.000%
        T HD3   PRO   93 - HD3   PRO   58  13.34 +/- 4.53   0.483% *  0.0732% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD3   PRO   58   8.07 +/- 2.48   4.182% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   68  13.69 +/- 2.21   0.241% *  0.0928% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD3   PRO   58   6.53 +/- 1.09   2.194% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   68  20.21 +/- 4.91   0.163% *  0.0768% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   68  17.63 +/- 2.79   0.121% *  0.1003% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD3   PRO   58  16.20 +/- 2.11   0.134% *  0.0743% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD2   PRO   68  18.25 +/- 3.13   0.113% *  0.0839% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD3   PRO   58   9.57 +/- 1.91   0.958% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2841 (3.75, 3.33, 50.60 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 5.21, residual support = 36.3:
      O T HD2   PRO   68 - HD3   PRO   68   1.75 +/- 0.00  97.615% * 99.4504% (0.92  10.0 10.00   5.21  36.33) =  99.999%  kept
          HA    ALA   61 - HD3   PRO   68  10.03 +/- 1.22   0.623% *  0.0823% (0.76   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   58 - HD3   PRO   68  16.20 +/- 2.11   0.152% *  0.1458% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   68 - HD3   PRO   93  21.09 +/- 3.30   0.086% *  0.1826% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   93  13.34 +/- 4.53   0.549% *  0.0268% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   68  16.04 +/- 3.02   0.518% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   68  19.49 +/- 3.01   0.117% *  0.0653% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HD3   PRO   93  15.09 +/- 2.76   0.220% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   93  19.52 +/- 2.53   0.082% *  0.0120% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   93  25.96 +/- 3.07   0.039% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2844 (5.01, 3.33, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.26, residual support = 19.9:
      O   HA    LEU   67 - HD3   PRO   68   2.45 +/- 0.43  97.723% * 99.7870% (0.53  10.0   5.26  19.86) =  99.999%  kept
          HA    ASP-  76 - HD3   PRO   68  16.27 +/- 2.15   0.543% *  0.1645% (0.87   1.0   0.02   0.02) =   0.001%
          HA    ASP-  76 - HD3   PRO   93  12.94 +/- 4.95   1.475% *  0.0302% (0.16   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   93  20.27 +/- 2.72   0.259% *  0.0183% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2845 (5.01, 3.75, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.52, residual support = 19.9:
      O   HA    LEU   67 - HD2   PRO   68   2.42 +/- 0.31  98.236% * 99.8155% (0.53  10.0   4.52  19.86) =  99.999%  kept
          HA    ASP-  76 - HD2   PRO   68  16.48 +/- 2.21   0.465% *  0.1646% (0.87   1.0   0.02   0.02) =   0.001%
          HA    ASP-  76 - HD3   PRO   58  15.09 +/- 4.17   0.848% *  0.0124% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   58  15.74 +/- 1.61   0.452% *  0.0075% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2846 (7.70, 2.90, 37.49 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 3.6, residual support = 60.7:
      O   HD21  ASN   69 - HB2   ASN   69   3.03 +/- 0.59  93.357% * 99.5864% (0.65  10.0   3.60  60.69) =  99.993%  kept
          HN    GLN   17 - HB2   ASN   69  12.67 +/- 5.97   4.242% *  0.1286% (0.84   1.0   0.02   0.02) =   0.006%
          HN    ALA   61 - HB2   ASN   69  14.69 +/- 2.18   1.529% *  0.0475% (0.31   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB2   ASN   69  22.48 +/- 4.42   0.369% *  0.0934% (0.61   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB2   ASN   69  24.55 +/- 3.51   0.263% *  0.1057% (0.69   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   ASN   69  24.64 +/- 2.72   0.239% *  0.0384% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2847 (8.82, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.37, residual support = 60.7:
      O   HN    ASN   69 - HB2   ASN   69   3.41 +/- 0.50  97.464% * 99.9414% (0.97  10.0   5.37  60.69) =  99.999%  kept
          HN    ASN   28 - HB2   ASN   69  20.09 +/- 2.54   0.739% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB2   ASN   69  19.70 +/- 7.45   1.797% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2848 (7.69, 2.81, 37.49 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.57, residual support = 60.7:
      O   HD21  ASN   69 - HB3   ASN   69   2.83 +/- 0.56  92.137% * 99.7810% (0.99  10.0   3.57  60.69) =  99.992%  kept
          HN    GLN   17 - HB3   ASN   69  12.60 +/- 5.76   7.067% *  0.0987% (0.98   1.0   0.02   0.02) =   0.008%
          HN    TRP   87 - HB3   ASN   69  24.44 +/- 3.55   0.261% *  0.1004% (1.00   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   ASN   69  22.40 +/- 4.45   0.535% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2849 (8.82, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.86, residual support = 60.7:
      O   HN    ASN   69 - HB3   ASN   69   3.27 +/- 0.43  97.743% * 99.9414% (0.97  10.0   4.86  60.69) =  99.999%  kept
          HN    GLY  101 - HB3   ASN   69  19.73 +/- 7.23   1.686% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB3   ASN   69  20.13 +/- 2.27   0.571% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2850 (7.71, 4.68, 53.57 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.36, residual support = 60.5:
          HD21  ASN   69 - HA    ASN   69   3.57 +/- 0.60  77.498% * 90.6010% (0.20   3.37  60.69) =  99.639%  kept
          HN    GLN   17 - HA    ASN   69  11.17 +/- 5.88  17.533% *  0.9274% (0.34   0.02   0.02) =   0.231%  kept
          HN    ALA   61 - HA    ASN   69  13.73 +/- 2.50   2.445% *  2.1770% (0.80   0.02   0.02) =   0.076%
          HE3   TRP   87 - HA    ASN   69  21.93 +/- 3.94   0.694% *  2.6947% (0.99   0.02   0.02) =   0.027%
          HN    TRP   27 - HA    ASN   69  18.28 +/- 2.47   1.138% *  1.0204% (0.38   0.02   0.02) =   0.016%
          HN    ALA   91 - HA    ASN   69  24.13 +/- 2.94   0.298% *  1.9742% (0.73   0.02   0.02) =   0.008%
          HN    TRP   87 - HA    ASN   69  23.88 +/- 3.27   0.394% *  0.6053% (0.22   0.02   0.02) =   0.003%
    Distance limit 3.83 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2851 (6.35, 4.68, 53.57 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ3   TRP   27 - HA    ASN   69  14.04 +/- 1.81 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.63 A violated in 20 structures by 10.41 A, eliminated.
    Peak unassigned.
 
    Peak 2852 (1.31, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 0.39, support = 0.02, residual support = 0.02:
        T QB    ALA   88 - HB2   SER   82  10.59 +/- 0.44   7.484% * 37.0886% (0.42 10.00   0.02   0.02) =  40.898%  kept
        T QB    ALA   88 - HA    SER   48  13.45 +/- 3.91  10.084% * 17.4364% (0.20 10.00   0.02   0.02) =  25.906%  kept
          QG2   THR   77 - HA    VAL   70  14.40 +/- 1.99   5.176% *  8.7452% (0.99  1.00   0.02   0.02) =   6.669%  kept
          QG2   THR   77 - HA    SER   48   8.61 +/- 3.89  21.284% *  1.9923% (0.23  1.00   0.02   0.02) =   6.248%  kept
          QG2   THR   77 - HB2   SER   82  10.43 +/- 1.20   8.313% *  4.2379% (0.48  1.00   0.02   0.02) =   5.191%  kept
          HG2   LYS+  38 - HA    VAL   70  11.86 +/- 1.31   6.330% *  4.6421% (0.53  1.00   0.02   0.02) =   4.329%  kept
          HG2   LYS+  99 - HA    VAL   70  14.47 +/- 7.10   6.173% *  3.6274% (0.41  1.00   0.02   0.02) =   3.299%  kept
          QB    ALA   88 - HA    VAL   70  18.83 +/- 2.64   1.726% *  7.6536% (0.87  1.00   0.02   0.02) =   1.947%  kept
          QG2   THR   23 - HA    VAL   70  16.06 +/- 2.37   4.091% *  1.9644% (0.22  1.00   0.02   0.02) =   1.184%  kept
          QG2   THR   23 - HB2   SER   82  13.86 +/- 5.09   7.250% *  0.9519% (0.11  1.00   0.02   0.02) =   1.017%  kept
          HB2   LEU   31 - HA    VAL   70  13.87 +/- 1.80   4.341% *  1.3614% (0.15  1.00   0.02   0.02) =   0.871%  kept
          HG2   LYS+  38 - HB2   SER   82  26.20 +/- 7.73   2.421% *  2.2495% (0.25  1.00   0.02   0.02) =   0.802%  kept
          HG2   LYS+  99 - HB2   SER   82  24.50 +/- 4.93   1.259% *  1.7578% (0.20  1.00   0.02   0.02) =   0.326%  kept
          HB2   LEU   31 - HB2   SER   82  19.30 +/- 7.12   2.969% *  0.6597% (0.07  1.00   0.02   0.02) =   0.289%  kept
          HG2   LYS+ 111 - HA    VAL   70  23.09 +/- 3.19   1.058% *  1.7461% (0.20  1.00   0.02   0.02) =   0.272%  kept
          QG2   THR   23 - HA    SER   48  15.95 +/- 4.17   3.587% *  0.4475% (0.05  1.00   0.02   0.02) =   0.237%  kept
          HG2   LYS+  38 - HA    SER   48  28.24 +/- 3.88   0.856% *  1.0576% (0.12  1.00   0.02   0.02) =   0.133%  kept
          HG2   LYS+ 111 - HA    SER   48  18.68 +/- 3.15   1.975% *  0.3978% (0.05  1.00   0.02   0.02) =   0.116%  kept
          HB2   LEU   31 - HA    SER   48  22.62 +/- 4.44   2.320% *  0.3102% (0.04  1.00   0.02   0.02) =   0.106%  kept
          HG2   LYS+  99 - HA    SER   48  26.22 +/- 3.78   0.724% *  0.8264% (0.09  1.00   0.02   0.02) =   0.088%
          HG2   LYS+ 111 - HB2   SER   82  26.10 +/- 3.97   0.579% *  0.8462% (0.10  1.00   0.02   0.02) =   0.072%
    Distance limit 3.53 A violated in 19 structures by 2.73 A, eliminated.
    Peak unassigned.
 
    Peak 2853 (8.14, 4.01, 61.79 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.63, residual support = 33.6:
      O   HN    LEU   71 - HA    VAL   70   2.22 +/- 0.03  97.170% * 99.7573% (0.87  10.0   5.63  33.57) =  99.999%  kept
          HN    LEU   71 - HA    SER   48  20.05 +/- 4.03   0.480% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HB2   SER   82  16.73 +/- 6.68   0.725% *  0.0139% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    VAL   70  20.93 +/- 3.07   0.159% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    VAL   70  17.77 +/- 2.01   0.260% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   SER   82  22.80 +/- 4.59   0.133% *  0.0483% (0.42   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    VAL   70  18.71 +/- 2.48   0.204% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    SER   48  19.05 +/- 3.21   0.228% *  0.0128% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   SER   82  26.57 +/- 3.29   0.070% *  0.0271% (0.24   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    SER   48  20.22 +/- 4.57   0.242% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    SER   48  18.51 +/- 2.97   0.258% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   SER   82  26.38 +/- 3.05   0.070% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2854 (6.71, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.898, support = 3.38, residual support = 46.4:
        T HZ    PHE   72 - HB    VAL   70   4.68 +/- 0.96  21.677% * 93.5755% (1.00 10.00   3.30  46.47) =  85.600%  kept
          QD    PHE   72 - HB    VAL   70   3.05 +/- 0.75  58.429% *  5.7411% (0.31  1.00   3.97  46.47) =  14.156%  kept
        T HZ    PHE   72 - QG    GLN   17  10.81 +/- 3.53   8.675% *  0.6585% (0.19 10.00   0.08   0.02) =   0.241%  kept
          QD    PHE   72 - QG    GLN   17   8.77 +/- 2.93   8.817% *  0.0054% (0.06  1.00   0.02   0.02) =   0.002%
          QE    PHE   45 - HB    VAL   70  12.68 +/- 2.51   1.412% *  0.0164% (0.18  1.00   0.02   0.02) =   0.001%
          QE    PHE   45 - QG    GLN   17  14.71 +/- 3.22   0.992% *  0.0031% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2855 (7.00, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.724, support = 4.43, residual support = 46.3:
          QE    PHE   72 - HB    VAL   70   2.68 +/- 0.85  77.607% * 97.7655% (0.73   4.44  46.47) =  99.685%  kept
          QE    PHE   72 - QG    GLN   17   9.16 +/- 3.14  17.974% *  1.2851% (0.13   0.31   0.02) =   0.303%  kept
          QD    PHE   95 - HB    VAL   70  11.13 +/- 2.32   2.557% *  0.2274% (0.38   0.02   0.02) =   0.008%
          HN    ALA   47 - HB    VAL   70  16.89 +/- 2.02   0.396% *  0.5732% (0.95   0.02   0.02) =   0.003%
          HN    ALA   47 - QG    GLN   17  19.28 +/- 4.32   0.493% *  0.1065% (0.18   0.02   0.02) =   0.001%
          QD    PHE   95 - QG    GLN   17  15.22 +/- 3.21   0.972% *  0.0422% (0.07   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2856 (7.99, 2.20, 34.17 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.74, residual support = 81.1:
      O   HN    VAL   70 - HB    VAL   70   2.77 +/- 0.31  91.137% * 99.9336% (0.76  10.0   4.74  81.07) =  99.998%  kept
          HN    VAL   70 - QG    GLN   17  10.15 +/- 4.70   6.917% *  0.0186% (0.14   1.0   0.02   0.02) =   0.001%
          HN    GLU-  79 - HB    VAL   70  17.40 +/- 2.03   0.626% *  0.0404% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG    GLN   17  16.16 +/- 3.58   1.320% *  0.0075% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2857 (8.01, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 5.07, residual support = 81.1:
          HN    VAL   70 - QG1   VAL   70   2.41 +/- 0.49  97.979% * 98.3591% (0.28   5.07  81.07) =  99.985%  kept
          HN    THR   94 - QG1   VAL   70  12.69 +/- 2.22   1.422% *  0.5237% (0.38   0.02   0.02) =   0.008%
          HN    GLU-  79 - QG1   VAL   70  15.45 +/- 1.76   0.599% *  1.1173% (0.80   0.02   0.02) =   0.007%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2859 (8.93, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.374, support = 1.41, residual support = 0.541:
          HN    VAL   42 - QG2   VAL   70   4.15 +/- 1.83  56.892% * 26.6895% (0.35   1.14   0.52) =  48.424%  kept
          HN    LEU   73 - QG2   VAL   70   6.13 +/- 0.64  23.076% * 48.8645% (0.35   2.08   0.75) =  35.960%  kept
          HN    ILE   19 - QG2   VAL   70   7.92 +/- 2.61  20.032% * 24.4460% (0.52   0.70   0.13) =  15.617%  kept
    Distance limit 3.87 A violated in 1 structures by 0.29 A, kept.
 
    Peak 2860 (1.46, 0.19, 22.28 ppm):
    11 chemical-shift based assignments, quality = 0.47, support = 5.7, residual support = 33.9:
        T HG    LEU   40 - QG2   VAL   70   3.29 +/- 0.89  36.396% * 47.4112% (0.54 10.00   6.33  35.70) =  76.938%  kept
        T HB3   LEU   40 - QG2   VAL   70   4.26 +/- 1.02  20.541% * 19.5347% (0.22 10.00   3.99  35.70) =  17.891%  kept
        T HG    LEU   73 - QG2   VAL   70   7.94 +/- 0.88   3.197% * 30.7388% (0.35 10.00   2.44   0.75) =   4.382%  kept
          HG    LEU   67 - QG2   VAL   70   5.21 +/- 0.86  11.789% *  1.4240% (0.53  1.00   0.60   0.02) =   0.748%  kept
        T HB3   LEU  115 - QG2   VAL   70  13.09 +/- 1.87   0.666% *  0.4741% (0.54 10.00   0.02   0.02) =   0.014%
          HB3   LEU   67 - QG2   VAL   70   4.59 +/- 0.76  17.657% *  0.0132% (0.15  1.00   0.02   0.02) =   0.010%
        T HG    LEU  115 - QG2   VAL   70  12.62 +/- 1.83   0.720% *  0.3074% (0.35 10.00   0.02   0.02) =   0.010%
          QG    LYS+  66 - QG2   VAL   70   8.02 +/- 1.08   2.778% *  0.0213% (0.24  1.00   0.02   0.02) =   0.003%
          QB    ALA  120 - QG2   VAL   70  12.47 +/- 3.01   1.213% *  0.0307% (0.35  1.00   0.02   0.02) =   0.002%
          QB    ALA   61 - QG2   VAL   70   7.80 +/- 1.36   4.307% *  0.0083% (0.09  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - QG2   VAL   70  15.23 +/- 4.94   0.736% *  0.0363% (0.41  1.00   0.02   0.02) =   0.001%
    Distance limit 3.29 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2861 (6.70, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.418, support = 3.87, residual support = 46.5:
        T QD    PHE   72 - QG2   VAL   70   2.19 +/- 0.57  80.221% * 55.2900% (0.43 10.00   3.75  46.47) =  85.885%  kept
        T HZ    PHE   72 - QG2   VAL   70   4.43 +/- 0.32  16.316% * 44.6681% (0.35 10.00   4.63  46.47) =  14.112%  kept
          QE    PHE   45 - QG2   VAL   70   9.94 +/- 2.22   3.463% *  0.0419% (0.33  1.00   0.02   0.02) =   0.003%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2862 (6.99, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.536, support = 5.35, residual support = 46.5:
          QE    PHE   72 - QG2   VAL   70   2.85 +/- 0.44  97.557% * 99.6767% (0.54   5.35  46.47) =  99.996%  kept
          HN    ALA   47 - QG2   VAL   70  13.99 +/- 1.66   1.015% *  0.1961% (0.28   0.02   0.02) =   0.002%
          HD22  ASN   28 - QG2   VAL   70  12.27 +/- 1.06   1.428% *  0.1272% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2863 (8.16, 0.19, 22.28 ppm):
    5 chemical-shift based assignments, quality = 0.507, support = 6.32, residual support = 33.6:
          HN    LEU   71 - QG2   VAL   70   3.10 +/- 0.34  91.607% * 99.3729% (0.51   6.32  33.57) =  99.990%  kept
          HN    GLU- 114 - QG2   VAL   70  15.82 +/- 2.36   0.919% *  0.3146% (0.51   0.02   0.02) =   0.003%
          HN    GLN  116 - QG2   VAL   70  14.08 +/- 2.10   1.293% *  0.1750% (0.28   0.02   0.02) =   0.002%
          HN    THR  118 - QG2   VAL   70  13.08 +/- 2.72   2.264% *  0.0925% (0.15   0.02   0.02) =   0.002%
          HN    PHE   60 - QG2   VAL   70   9.67 +/- 1.33   3.917% *  0.0450% (0.07   0.02   0.02) =   0.002%
    Distance limit 3.26 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2864 (6.70, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.688, support = 2.9, residual support = 46.5:
        T HZ    PHE   72 - QG1   VAL   70   4.62 +/- 1.15  34.802% * 82.9788% (0.65 10.00   2.76  46.47) =  73.518%  kept
          QD    PHE   72 - QG1   VAL   70   3.67 +/- 0.75  61.375% * 16.9434% (0.80  1.00   3.30  46.47) =  26.474%  kept
          QE    PHE   45 - QG1   VAL   70  11.38 +/- 2.32   3.823% *  0.0778% (0.61  1.00   0.02   0.02) =   0.008%
    Distance limit 3.87 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2865 (4.88, 1.80, 44.15 ppm):
    4 chemical-shift based assignments, quality = 0.883, support = 0.02, residual support = 0.623:
          HA    VAL   41 - HB2   LEU   71   6.82 +/- 2.48  67.704% * 38.1801% (0.92   0.02   0.79) =  78.440%  kept
          HA    HIS  122 - HB2   LEU   71  17.78 +/- 4.97  11.308% * 39.9153% (0.97   0.02   0.02) =  13.697%  kept
          HA    PHE   45 - HB2   LEU   71  15.58 +/- 2.22  13.693% * 15.5229% (0.38   0.02   0.02) =   6.450%  kept
          HA    MET   92 - HB2   LEU   71  20.98 +/- 4.28   7.295% *  6.3817% (0.15   0.02   0.02) =   1.413%  kept
    Distance limit 3.68 A violated in 17 structures by 3.14 A, eliminated.
    Peak unassigned.
 
    Peak 2866 (8.16, 1.80, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.32, residual support = 139.0:
      O   HN    LEU   71 - HB2   LEU   71   2.62 +/- 0.46  91.404% * 99.8011% (0.95  10.0   6.32 139.00) =  99.998%  kept
          HN    PHE   60 - HB2   LEU   71  14.81 +/- 2.97   6.947% *  0.0143% (0.14   1.0   0.02   0.02) =   0.001%
          HN    GLU- 114 - HB2   LEU   71  22.98 +/- 4.28   0.505% *  0.0998% (0.95   1.0   0.02   0.02) =   0.001%
          HN    GLN  116 - HB2   LEU   71  20.71 +/- 3.73   0.689% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HB2   LEU   71  19.43 +/- 3.18   0.456% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2867 (8.16, 1.20, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.25, residual support = 139.0:
      O   HN    LEU   71 - HB3   LEU   71   3.35 +/- 0.45  94.447% * 99.8011% (0.95  10.0   6.25 139.00) =  99.998%  kept
          HN    PHE   60 - HB3   LEU   71  14.70 +/- 2.99   3.822% *  0.0143% (0.14   1.0   0.02   0.02) =   0.001%
          HN    GLU- 114 - HB3   LEU   71  23.19 +/- 4.44   0.462% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   71  20.88 +/- 3.86   0.631% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   71  19.69 +/- 3.30   0.639% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2870 (1.81, 1.24, 27.63 ppm):
    20 chemical-shift based assignments, quality = 0.965, support = 4.92, residual support = 139.0:
      O   HB2   LEU   71 - HG    LEU   71   2.59 +/- 0.17  60.997% * 99.3720% (0.97  10.0   4.93 139.00) =  99.985%  kept
          HB2   LEU   71 - HG13  ILE   19   7.38 +/- 4.63  17.568% *  0.0142% (0.14   1.0   0.02   0.72) =   0.004%
          HB3   GLN   17 - HG    LEU   71   9.87 +/- 5.12   3.723% *  0.0501% (0.49   1.0   0.02   0.02) =   0.003%
          QB    LYS+  65 - HG    LEU   71  10.85 +/- 1.96   1.272% *  0.1009% (0.98   1.0   0.02   0.02) =   0.002%
          HB    VAL   41 - HG    LEU   71   9.68 +/- 2.15   2.556% *  0.0501% (0.49   1.0   0.02   0.79) =   0.002%
          QB    LYS+  66 - HG    LEU   71  10.88 +/- 1.46   0.987% *  0.0707% (0.69   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG13  ILE   19   5.94 +/- 1.06   6.820% *  0.0072% (0.07   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HG    LEU   71  18.27 +/- 4.61   0.277% *  0.1030% (1.00   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   71  21.97 +/- 4.16   0.280% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HG13  ILE   19  10.76 +/- 3.53   2.500% *  0.0072% (0.07   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE   19  12.18 +/- 2.51   0.871% *  0.0145% (0.14   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   71  17.65 +/- 4.10   0.308% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE   19  13.13 +/- 1.62   0.531% *  0.0101% (0.10   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG13  ILE   19  18.37 +/- 3.48   0.265% *  0.0148% (0.14   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   71  20.17 +/- 3.76   0.179% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   71  24.29 +/- 4.30   0.157% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE   19  23.07 +/- 3.39   0.126% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG13  ILE   19  17.62 +/- 3.43   0.295% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE   19  22.11 +/- 4.44   0.216% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE   19  25.93 +/- 3.15   0.072% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2873 (8.14, 0.96, 23.45 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.73, residual support = 139.0:
          HN    LEU   71 - QD2   LEU   71   3.45 +/- 1.00  88.686% * 99.7024% (0.87   6.73 139.00) =  99.989%  kept
          HN    THR   26 - QD2   LEU   71  13.03 +/- 2.46   8.922% *  0.0852% (0.25   0.02   0.02) =   0.009%
          HN    GLU- 114 - QD2   LEU   71  19.38 +/- 3.69   0.940% *  0.1662% (0.49   0.02   0.02) =   0.002%
          HN    GLN  116 - QD2   LEU   71  17.38 +/- 3.02   1.453% *  0.0462% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.92 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2874 (9.37, 0.96, 23.45 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.23, residual support = 19.1:
          HN    PHE   72 - QD2   LEU   71   3.85 +/- 0.17  97.646% * 99.5621% (0.73   5.23  19.10) =  99.989%  kept
          HN    LEU  104 - QD2   LEU   71  14.78 +/- 2.95   2.354% *  0.4379% (0.84   0.02   0.02) =   0.011%
    Distance limit 3.35 A violated in 0 structures by 0.50 A, kept.
 
    Peak 2875 (8.96, 5.27, 56.60 ppm):
    4 chemical-shift based assignments, quality = 0.611, support = 5.52, residual support = 43.2:
      O   HN    LEU   73 - HA    PHE   72   2.55 +/- 0.19  60.496% * 93.9993% (0.61  10.0   5.62  44.07) =  97.831%  kept
          HN    VAL   42 - HA    PHE   72   5.03 +/- 1.66  21.859% *  5.2256% (0.61   1.0   1.11   3.84) =   1.965%  kept
          HN    ILE   19 - HA    PHE   72   5.73 +/- 3.52  17.342% *  0.6811% (0.13   1.0   0.66   0.02) =   0.203%  kept
          HN    LYS+ 106 - HA    PHE   72  16.50 +/- 2.25   0.303% *  0.0940% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2876 (9.35, 5.27, 56.60 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 5.08, residual support = 90.1:
      O   HN    PHE   72 - HA    PHE   72   2.92 +/- 0.02  98.753% * 99.9786% (0.71  10.0   5.08  90.14) = 100.000%  kept
          HN    LEU  104 - HA    PHE   72  14.24 +/- 3.10   1.247% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2877 (1.43, 5.27, 56.60 ppm):
    12 chemical-shift based assignments, quality = 0.398, support = 2.31, residual support = 35.7:
          HG    LEU   73 - HA    PHE   72   4.43 +/- 0.91  36.942% * 51.0733% (0.37   2.67  44.07) =  78.668%  kept
          HB3   LYS+  74 - HA    PHE   72   7.94 +/- 1.22  10.155% * 26.6972% (0.31   1.65   1.41) =  11.304%  kept
          HG12  ILE   19 - HA    PHE   72   6.65 +/- 3.89  28.767% *  5.5996% (0.74   0.15   0.02) =   6.716%  kept
          HB3   LEU   67 - HA    PHE   72   8.42 +/- 0.95   5.564% * 12.4860% (0.66   0.37  28.53) =   2.897%  kept
          QB    ALA   61 - HA    PHE   72   9.19 +/- 1.60   5.834% *  0.7590% (0.74   0.02   0.02) =   0.185%  kept
          HG    LEU   80 - HA    PHE   72  15.41 +/- 4.85   2.053% *  0.7847% (0.76   0.02   0.02) =   0.067%
          QG    LYS+  66 - HA    PHE   72  11.97 +/- 1.22   2.035% *  0.5402% (0.52   0.02   0.14) =   0.046%
          HB2   LEU   80 - HA    PHE   72  14.90 +/- 3.67   1.735% *  0.4770% (0.46   0.02   0.02) =   0.035%
          QB    ALA  110 - HA    PHE   72  17.17 +/- 2.73   0.992% *  0.7795% (0.76   0.02   0.02) =   0.032%
          QB    LEU   98 - HA    PHE   72  11.04 +/- 3.13   4.250% *  0.1556% (0.15   0.02   0.02) =   0.028%
          HD3   LYS+ 121 - HA    PHE   72  17.17 +/- 4.16   1.062% *  0.3526% (0.34   0.02   0.02) =   0.016%
          HG2   LYS+ 102 - HA    PHE   72  18.52 +/- 4.04   0.611% *  0.2952% (0.29   0.02   0.02) =   0.008%
    Distance limit 3.53 A violated in 0 structures by 0.33 A, kept.
 
    Peak 2878 (0.78, 2.83, 40.30 ppm):
    6 chemical-shift based assignments, quality = 0.817, support = 5.57, residual support = 44.0:
          QD2   LEU   73 - HB2   PHE   72   3.57 +/- 0.61  47.539% * 98.7639% (0.82   5.58  44.07) =  99.772%  kept
          QG1   VAL   43 - HB2   PHE   72   6.74 +/- 1.99  17.353% *  0.2793% (0.17   0.08   0.02) =   0.103%  kept
          QG1   VAL   41 - HB2   PHE   72   5.40 +/- 2.04  26.742% *  0.1231% (0.28   0.02   0.02) =   0.070%
          HG    LEU   31 - HB2   PHE   72   8.90 +/- 2.32   4.526% *  0.3236% (0.75   0.02   0.02) =   0.031%
          QD1   ILE   56 - HB2   PHE   72  12.66 +/- 2.42   2.789% *  0.3483% (0.81   0.02   0.02) =   0.021%
          HG3   LYS+ 121 - HB2   PHE   72  16.95 +/- 4.41   1.051% *  0.1618% (0.37   0.02   0.02) =   0.004%
    Distance limit 3.73 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2879 (0.40, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.28, residual support = 47.0:
        T QB    ALA   64 - HB2   PHE   72   4.26 +/- 0.61  96.435% * 99.9825% (0.84 10.00   3.28  46.98) =  99.999%  kept
          QB    ALA   47 - HB2   PHE   72  14.28 +/- 1.86   3.565% *  0.0175% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 2 structures by 0.65 A, kept.
 
    Peak 2880 (0.77, 2.28, 40.30 ppm):
    7 chemical-shift based assignments, quality = 0.718, support = 6.01, residual support = 43.2:
          QD2   LEU   73 - HB3   PHE   72   3.94 +/- 0.67  32.373% * 95.6138% (0.72   6.13  44.07) =  98.024%  kept
          QG2   VAL   18 - HB3   PHE   72   6.74 +/- 2.20  15.339% *  2.5320% (0.33   0.36   0.02) =   1.230%  kept
          QG1   VAL   43 - HB3   PHE   72   7.06 +/- 1.98  14.004% *  0.8863% (0.53   0.08   0.02) =   0.393%  kept
          QG1   VAL   41 - HB3   PHE   72   5.33 +/- 2.38  28.782% *  0.2992% (0.69   0.02   0.02) =   0.273%  kept
          HG    LEU   31 - HB3   PHE   72   9.11 +/- 2.44   5.469% *  0.3534% (0.82   0.02   0.02) =   0.061%
          QD1   ILE   56 - HB3   PHE   72  12.72 +/- 2.47   1.808% *  0.2115% (0.49   0.02   0.02) =   0.012%
          QG2   THR   46 - HB3   PHE   72  10.13 +/- 1.57   2.225% *  0.1039% (0.24   0.02   0.02) =   0.007%
    Distance limit 3.60 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2881 (0.41, 2.28, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.7, residual support = 47.0:
        T QB    ALA   64 - HB3   PHE   72   4.25 +/- 0.59  93.733% * 99.9693% (0.63 10.00   3.70  46.98) =  99.998%  kept
          QD1   LEU  115 - HB3   PHE   72  12.26 +/- 2.36   6.267% *  0.0307% (0.19  1.00   0.02   0.02) =   0.002%
    Distance limit 3.66 A violated in 1 structures by 0.65 A, kept.
 
    Peak 2882 (4.02, 2.83, 40.30 ppm):
    9 chemical-shift based assignments, quality = 0.573, support = 0.575, residual support = 13.4:
        T HA    VAL   18 - HB2   PHE   72   7.25 +/- 3.58  35.023% * 59.8870% (0.47 10.00   0.37   0.02) =  67.502%  kept
          HA    VAL   70 - HB2   PHE   72   6.30 +/- 0.83  29.175% * 30.6214% (0.82  1.00   1.09  46.47) =  28.752%  kept
          HB2   SER   37 - HB2   PHE   72  10.82 +/- 2.66  14.488% *  7.5966% (0.51  1.00   0.44   0.02) =   3.542%  kept
          HA    GLN  116 - HB2   PHE   72  16.42 +/- 3.18   3.317% *  0.5644% (0.82  1.00   0.02   0.02) =   0.060%
          HA    LYS+  33 - HB2   PHE   72  12.95 +/- 2.44   3.646% *  0.4401% (0.64  1.00   0.02   0.02) =   0.052%
          HA    GLU-  29 - HB2   PHE   72  13.52 +/- 2.09   3.122% *  0.3492% (0.51  1.00   0.02   0.02) =   0.035%
          HA1   GLY   16 - HB2   PHE   72  11.98 +/- 3.68   6.136% *  0.1601% (0.23  1.00   0.02   0.02) =   0.032%
          HB2   SER   82 - HB2   PHE   72  18.96 +/- 3.92   1.477% *  0.2803% (0.41  1.00   0.02   0.02) =   0.013%
          HA    SER   48 - HB2   PHE   72  16.62 +/- 3.10   3.616% *  0.1008% (0.15  1.00   0.02   0.02) =   0.012%
    Distance limit 3.77 A violated in 6 structures by 1.21 A, kept.
 
    Peak 2883 (4.03, 2.28, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.581, support = 0.931, residual support = 36.7:
          HA    VAL   70 - HB3   PHE   72   5.93 +/- 0.95  34.288% * 55.7921% (0.53  1.00   1.09  46.47) =  78.974%  kept
          HB2   SER   37 - HB3   PHE   72  10.65 +/- 2.51  13.646% * 32.8336% (0.85  1.00   0.40   0.02) =  18.497%  kept
        T HA    LYS+  33 - HB3   PHE   72  12.94 +/- 2.57   4.699% *  5.2330% (0.27 10.00   0.02   0.02) =   1.015%  kept
        T HA    GLU-  29 - HB3   PHE   72  13.73 +/- 2.21   3.594% *  3.3553% (0.17 10.00   0.02   0.02) =   0.498%  kept
          HA    VAL   18 - HB3   PHE   72   7.22 +/- 3.36  27.620% *  0.2969% (0.15  1.00   0.02   0.02) =   0.339%  kept
          HA1   GLY   16 - HB3   PHE   72  11.46 +/- 4.01   6.647% *  1.2312% (0.63  1.00   0.02   0.02) =   0.338%  kept
          HA    GLN  116 - HB3   PHE   72  16.29 +/- 3.39   7.564% *  1.0284% (0.53  1.00   0.02   0.02) =   0.321%  kept
          HB2   SER   82 - HB3   PHE   72  19.51 +/- 4.04   1.942% *  0.2295% (0.12  1.00   0.02   0.02) =   0.018%
    Distance limit 3.90 A violated in 6 structures by 1.22 A, kept.
 
    Peak 2884 (6.69, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.863, support = 4.84, residual support = 90.1:
      O T QD    PHE   72 - HB3   PHE   72   2.50 +/- 0.15  90.056% * 94.8229% (0.87  10.0 10.00   4.85  90.14) =  99.608%  kept
          HZ    PHE   72 - HB3   PHE   72   5.84 +/- 0.00   7.274% *  4.2999% (0.27   1.0  1.00   2.93  90.14) =   0.365%  kept
        T QE    PHE   45 - HB3   PHE   72  10.14 +/- 2.17   2.670% *  0.8773% (0.80   1.0 10.00   0.02   0.02) =   0.027%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2885 (6.69, 2.83, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.832, support = 4.56, residual support = 90.1:
      O T QD    PHE   72 - HB2   PHE   72   2.39 +/- 0.12  90.915% * 95.7915% (0.83  10.0 10.00   4.57  90.14) =  99.696%  kept
          HZ    PHE   72 - HB2   PHE   72   5.84 +/- 0.00   6.382% *  4.1199% (0.26   1.0  1.00   2.78  90.14) =   0.301%  kept
          QE    PHE   45 - HB2   PHE   72   9.74 +/- 2.26   2.703% *  0.0886% (0.77   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2886 (9.37, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.79, support = 4.96, residual support = 90.1:
      O   HN    PHE   72 - HB2   PHE   72   3.48 +/- 0.42  97.128% * 99.9402% (0.79  10.0   4.96  90.14) =  99.998%  kept
          HN    LEU  104 - HB2   PHE   72  13.42 +/- 3.15   2.872% *  0.0598% (0.47   1.0   0.02   0.02) =   0.002%
    Distance limit 3.64 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2887 (2.03, 5.57, 52.40 ppm):
    12 chemical-shift based assignments, quality = 0.902, support = 0.731, residual support = 5.58:
          HG3   GLN   30 - HA    LEU   73   7.19 +/- 2.47  25.184% * 50.5806% (0.99   0.74   5.67) =  55.573%  kept
          HB2   GLN   30 - HA    LEU   73   7.19 +/- 2.05  23.610% * 41.5823% (0.80   0.75   5.67) =  42.831%  kept
          HB    ILE  119 - HA    LEU   73  17.49 +/- 3.73   6.576% *  1.1089% (0.80   0.02   0.02) =   0.318%  kept
          HB2   GLN   17 - HA    LEU   73  10.44 +/- 3.50  10.159% *  0.6741% (0.49   0.02   0.02) =   0.299%  kept
          HB3   PRO   68 - HA    LEU   73  14.66 +/- 1.26   3.856% *  1.2012% (0.87   0.02   0.02) =   0.202%  kept
          QB    GLU-  15 - HA    LEU   73  12.47 +/- 3.79   5.225% *  0.6741% (0.49   0.02   0.02) =   0.154%  kept
          HB2   PRO   93 - HA    LEU   73  15.47 +/- 2.88   9.782% *  0.3083% (0.22   0.02   0.02) =   0.132%  kept
          HB    VAL  108 - HA    LEU   73  19.27 +/- 2.77   3.660% *  0.7840% (0.57   0.02   0.02) =   0.125%  kept
          HB3   GLU- 100 - HA    LEU   73  18.66 +/- 3.44   2.334% *  1.2012% (0.87   0.02   0.02) =   0.122%  kept
          HB2   ARG+  54 - HA    LEU   73  18.84 +/- 3.90   2.966% *  0.6741% (0.49   0.02   0.02) =   0.087%
          HB3   GLU-  25 - HA    LEU   73  13.46 +/- 1.06   4.534% *  0.4274% (0.31   0.02   0.02) =   0.085%
          HB2   LYS+ 111 - HA    LEU   73  21.95 +/- 3.51   2.112% *  0.7840% (0.57   0.02   0.02) =   0.072%
    Distance limit 3.79 A violated in 12 structures by 2.05 A, kept.
 
    Peak 2888 (8.49, 5.57, 52.40 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.74, residual support = 42.5:
      O   HN    LYS+  74 - HA    LEU   73   2.58 +/- 0.27  97.636% * 99.6525% (0.69  10.0   5.74  42.48) =  99.998%  kept
          HN    THR   46 - HA    LEU   73  11.88 +/- 1.81   1.379% *  0.0403% (0.28   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 112 - HA    LEU   73  20.99 +/- 3.68   0.363% *  0.1448% (1.00   1.0   0.02   0.02) =   0.001%
          HN    MET   11 - HA    LEU   73  22.73 +/- 4.51   0.228% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HN    MET   92 - HA    LEU   73  18.05 +/- 1.86   0.395% *  0.0224% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2889 (8.96, 5.57, 52.40 ppm):
    4 chemical-shift based assignments, quality = 0.789, support = 6.42, residual support = 167.1:
      O   HN    LEU   73 - HA    LEU   73   2.88 +/- 0.04  51.039% * 96.2368% (0.80  10.0   6.51 170.59) =  97.891%  kept
          HN    ILE   19 - HA    LEU   73   5.01 +/- 3.80  36.587% *  2.5124% (0.18   1.0   2.39   5.31) =   1.832%  kept
          HN    VAL   42 - HA    LEU   73   7.41 +/- 1.92  12.004% *  1.1545% (0.80   1.0   0.24   0.49) =   0.276%  kept
          HN    LYS+ 106 - HA    LEU   73  17.55 +/- 2.70   0.371% *  0.0962% (0.80   1.0   0.02   0.02) =   0.001%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2890 (8.97, 1.70, 46.21 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 6.25, residual support = 170.1:
      O   HN    LEU   73 - HB2   LEU   73   3.41 +/- 0.25  79.014% * 98.5556% (0.38  10.0   6.27 170.59) =  99.698%  kept
          HN    VAL   42 - HB2   LEU   73   8.16 +/- 2.24  19.635% *  1.1823% (0.38   1.0   0.24   0.49) =   0.297%  kept
          HN    LYS+ 106 - HB2   LEU   73  17.54 +/- 3.45   1.351% *  0.2620% (1.00   1.0   0.02   0.02) =   0.005%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2891 (4.68, 1.70, 46.21 ppm):
    3 chemical-shift based assignments, quality = 0.986, support = 0.02, residual support = 0.181:
        T HA    HIS   22 - HB2   LEU   73   7.10 +/- 1.70  47.045% * 84.8829% (1.00 10.00   0.02   0.02) =  91.439%  kept
          HA    VAL   43 - HB2   LEU   73   7.98 +/- 2.47  43.805% *  6.7969% (0.80  1.00   0.02   2.38) =   6.818%  kept
          HA    ASN   69 - HB2   LEU   73  13.98 +/- 1.20   9.151% *  8.3202% (0.98  1.00   0.02   0.02) =   1.743%  kept
    Distance limit 4.00 A violated in 15 structures by 1.98 A, eliminated.
    Peak unassigned.
 
    Peak 2892 (8.50, 1.38, 46.21 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 5.51, residual support = 42.5:
          HN    LYS+  74 - HB3   LEU   73   3.22 +/- 0.97  95.805% * 97.5268% (0.25   5.51  42.48) =  99.967%  kept
          HN    ASP-  78 - HB3   LEU   73  12.35 +/- 1.11   2.733% *  0.5839% (0.41   0.02   0.02) =   0.017%
          HN    LYS+ 112 - HB3   LEU   73  20.88 +/- 4.00   1.067% *  1.0853% (0.76   0.02   0.02) =   0.012%
          HN    MET   11 - HB3   LEU   73  23.95 +/- 4.82   0.394% *  0.8040% (0.57   0.02   0.02) =   0.003%
    Distance limit 4.18 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2893 (8.96, 1.44, 27.31 ppm):
    20 chemical-shift based assignments, quality = 0.744, support = 5.53, residual support = 162.1:
          HN    LEU   73 - HG    LEU   73   2.70 +/- 0.73  39.536% * 65.9893% (0.80   5.68 170.59) =  89.801%  kept
          HN    ILE   19 - HG12  ILE   19   3.20 +/- 0.74  28.792% *  5.1830% (0.06   6.25 170.53) =   5.137%  kept
          HN    VAL   42 - HG    LEU   73   7.17 +/- 2.18   3.924% * 15.7519% (0.80   1.36   0.49) =   2.128%  kept
          HN    VAL   42 - HG    LEU   40   5.48 +/- 1.26   8.542% *  5.1224% (0.15   2.37   1.79) =   1.506%  kept
          HN    ILE   19 - HG    LEU   73   6.62 +/- 3.65   5.595% *  7.2858% (0.18   2.87   5.31) =   1.403%  kept
          HN    LEU   73 - HG12  ILE   19   7.21 +/- 3.37   4.947% *  0.0759% (0.26   0.02   5.31) =   0.013%
          HN    LYS+ 106 - HG    LEU   73  16.69 +/- 3.52   0.416% *  0.2323% (0.80   0.02   0.02) =   0.003%
          HN    LEU   73 - HG    LEU   40   8.71 +/- 2.42   2.212% *  0.0433% (0.15   0.02   0.02) =   0.003%
          HN    VAL   42 - HG12  ILE   19  10.35 +/- 3.35   1.171% *  0.0759% (0.26   0.02   0.02) =   0.003%
          HN    LEU   73 - HG    LEU   80  13.64 +/- 4.79   0.870% *  0.0283% (0.10   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG    LEU   40  14.62 +/- 4.41   0.355% *  0.0433% (0.15   0.02   0.02) =   0.001%
          HN    VAL   42 - HG    LEU   80  15.29 +/- 4.67   0.445% *  0.0283% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  20.65 +/- 3.13   0.124% *  0.0759% (0.26   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  11.46 +/- 3.65   0.963% *  0.0095% (0.03   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU  115  12.19 +/- 3.51   0.779% *  0.0064% (0.02   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU  115  14.84 +/- 2.86   0.444% *  0.0064% (0.02   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU  115  15.99 +/- 3.21   0.391% *  0.0064% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  21.15 +/- 3.06   0.089% *  0.0283% (0.10   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  15.57 +/- 4.48   0.294% *  0.0062% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU  115  19.15 +/- 2.76   0.112% *  0.0014% (0.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2894 (8.13, 1.44, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.137, support = 1.25, residual support = 1.34:
          HN    LEU   71 - HG    LEU   40   5.33 +/- 1.65  40.788% * 22.6764% (0.05   1.74   1.45) =  55.117%  kept
          HN    LEU   71 - HG    LEU   73   9.26 +/- 0.96   6.789% * 58.8719% (0.28   0.84   1.76) =  23.815%  kept
          HN    LEU   71 - HG12  ILE   19   8.50 +/- 4.24  26.006% * 11.2712% (0.09   0.49   0.72) =  17.467%  kept
          HN    THR   26 - HG    LEU   73   9.58 +/- 2.77  12.173% *  4.1938% (0.84   0.02   0.02) =   3.042%  kept
          HN    THR   26 - HG12  ILE   19  11.48 +/- 1.00   3.431% *  1.3696% (0.27   0.02   0.02) =   0.280%  kept
          HN    THR   26 - HG    LEU   80  13.89 +/- 6.52   6.817% *  0.5103% (0.10   0.02   0.02) =   0.207%  kept
          HN    THR   26 - HG    LEU   40  17.87 +/- 2.72   1.148% *  0.7819% (0.16   0.02   0.02) =   0.054%
          HN    LEU   71 - HG    LEU   80  19.00 +/- 5.17   1.165% *  0.1699% (0.03   0.02   0.02) =   0.012%
          HN    THR   26 - HG    LEU  115  23.98 +/- 3.54   0.537% *  0.1163% (0.02   0.02   0.02) =   0.004%
          HN    LEU   71 - HG    LEU  115  17.73 +/- 2.37   1.147% *  0.0387% (0.01   0.02   0.02) =   0.003%
    Distance limit 4.01 A violated in 0 structures by 0.56 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2895 (8.97, 0.78, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.375, support = 8.06, residual support = 170.0:
          HN    LEU   73 - QD2   LEU   73   1.96 +/- 0.45  85.755% * 96.1396% (0.38   8.09 170.59) =  99.662%  kept
          HN    VAL   42 - QD2   LEU   73   5.31 +/- 1.55   9.411% *  2.8510% (0.38   0.24   0.49) =   0.324%  kept
          HN    LYS+ 106 - HG3   LYS+ 121  13.18 +/- 8.02   3.202% *  0.2154% (0.34   0.02   0.02) =   0.008%
          HN    LYS+ 106 - QD2   LEU   73  13.50 +/- 2.40   0.563% *  0.6318% (1.00   0.02   0.02) =   0.004%
          HN    VAL   42 - HG3   LYS+ 121  16.17 +/- 4.87   0.847% *  0.0810% (0.13   0.02   0.02) =   0.001%
          HN    LEU   73 - HG3   LYS+ 121  18.06 +/- 4.05   0.222% *  0.0810% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2897 (8.50, 0.78, 24.39 ppm):
    8 chemical-shift based assignments, quality = 0.249, support = 5.98, residual support = 42.4:
          HN    LYS+  74 - QD2   LEU   73   4.02 +/- 0.43  87.153% * 96.8585% (0.25   5.99  42.48) =  99.917%  kept
          HN    LYS+ 112 - QD2   LEU   73  17.22 +/- 3.86   3.073% *  0.9919% (0.76   0.02   0.02) =   0.036%
          HN    ASP-  78 - QD2   LEU   73  11.68 +/- 1.40   3.748% *  0.5336% (0.41   0.02   0.02) =   0.024%
          HN    MET   11 - QD2   LEU   73  20.05 +/- 3.87   1.402% *  0.7348% (0.57   0.02   0.02) =   0.012%
          HN    LYS+ 112 - HG3   LYS+ 121  16.87 +/- 1.27   1.348% *  0.3382% (0.26   0.02   0.02) =   0.005%
          HN    LYS+  74 - HG3   LYS+ 121  18.68 +/- 4.18   1.872% *  0.1104% (0.09   0.02   0.02) =   0.002%
          HN    ASP-  78 - HG3   LYS+ 121  23.07 +/- 3.72   1.089% *  0.1820% (0.14   0.02   0.02) =   0.002%
          HN    MET   11 - HG3   LYS+ 121  32.98 +/- 7.06   0.315% *  0.2506% (0.19   0.02   0.02) =   0.001%
    Distance limit 3.99 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2898 (8.50, 1.48, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.2, support = 5.81, residual support = 186.9:
      O   HN    LYS+  74 - HB2   LYS+  74   2.75 +/- 0.38  97.334% * 98.7814% (0.20  10.0   5.81 186.90) =  99.984%  kept
          HN    ASP-  78 - HB2   LYS+  74  10.39 +/- 0.64   2.043% *  0.6916% (0.33   1.0   0.08   0.02) =   0.015%
          HN    LYS+ 112 - HB2   LYS+  74  20.33 +/- 3.51   0.421% *  0.3028% (0.61   1.0   0.02   0.02) =   0.001%
          HN    MET   11 - HB2   LYS+  74  23.67 +/- 4.00   0.202% *  0.2243% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2899 (8.51, 1.41, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.413, support = 4.45, residual support = 31.8:
          HN    VAL   75 - HB3   LYS+  74   4.37 +/- 0.28  90.153% * 95.6587% (0.41   4.47  31.89) =  99.650%  kept
          HN    ASP-  78 - HB3   LYS+  74  10.17 +/- 0.99   7.737% *  3.8373% (0.87   0.08   0.02) =   0.343%  kept
          HN    LYS+ 112 - HB3   LYS+  74  20.11 +/- 3.52   1.286% *  0.3215% (0.31   0.02   0.02) =   0.005%
          HN    MET   11 - HB3   LYS+  74  23.93 +/- 4.07   0.824% *  0.1824% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.75 A violated in 0 structures by 0.61 A, kept.
 
    Peak 2900 (8.52, 1.24, 25.23 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 5.88, residual support = 31.9:
          HN    VAL   75 - HG2   LYS+  74   3.36 +/- 0.75  92.128% * 98.2578% (0.84   5.88  31.89) =  99.881%  kept
          HN    ASP-  78 - HG2   LYS+  74   8.81 +/- 1.16   6.443% *  1.6646% (0.98   0.08   0.02) =   0.118%  kept
          HN    ASP-  78 - HG3   LYS+ 111  21.51 +/- 4.69   0.671% *  0.0419% (0.10   0.02   0.02) =   0.000%
          HN    VAL   75 - HG3   LYS+ 111  19.84 +/- 3.11   0.758% *  0.0357% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2901 (0.45, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 0.713, residual support = 0.712:
          QG1   VAL   75 - HA    THR   77   3.97 +/- 0.17  96.497% * 97.8752% (0.84   0.71   0.71) =  99.921%  kept
          QD1   LEU  115 - HA    THR   77  13.61 +/- 2.61   3.503% *  2.1248% (0.65   0.02   0.02) =   0.079%
    Distance limit 3.56 A violated in 0 structures by 0.41 A, kept.
 
    Peak 2902 (8.53, 2.78, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.95, residual support = 39.6:
      O   HN    ASP-  78 - HB3   ASP-  78   2.90 +/- 0.62  97.516% * 99.9053% (0.95  10.0   3.95  39.56) =  99.998%  kept
          HN    VAL   75 - HB3   ASP-  78  10.37 +/- 0.96   2.484% *  0.0947% (0.90   1.0   0.02   0.30) =   0.002%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2903 (8.53, 2.91, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 5.33, residual support = 39.6:
      O   HN    ASP-  78 - HB2   ASP-  78   2.84 +/- 0.47  97.648% * 99.9053% (0.95  10.0   5.33  39.56) =  99.998%  kept
          HN    VAL   75 - HB2   ASP-  78  10.11 +/- 1.03   2.352% *  0.0947% (0.90   1.0   0.02   0.30) =   0.002%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2904 (2.14, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.4, residual support = 56.7:
      O T HB3   GLU-  79 - HA    GLU-  79   2.63 +/- 0.18  95.319% * 99.1581% (1.00  10.0 10.00   4.40  56.73) =  99.988%  kept
        T HB2   GLN   90 - HA    GLU-  79  13.73 +/- 3.85   1.697% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.011%
          QB    GLU-  36 - HA    GLU-  79  22.01 +/- 4.46   0.532% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HA    GLU-  79  24.00 +/- 6.57   1.775% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU-  79  19.66 +/- 3.46   0.307% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  79  19.10 +/- 3.70   0.371% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2905 (2.38, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.66, residual support = 56.7:
      O   QG    GLU-  79 - HB3   GLU-  79   2.43 +/- 0.14  92.023% * 99.5936% (0.98  10.0   3.66  56.73) =  99.997%  kept
          QG    GLU-  79 - HB2   GLN   90  12.56 +/- 3.61   3.269% *  0.0370% (0.36   1.0   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HB3   GLU-  79  23.15 +/- 5.73   0.752% *  0.0698% (0.69   1.0   0.02   0.02) =   0.001%
          QG    GLN   32 - HB2   GLN   90  23.79 +/- 5.08   1.492% *  0.0289% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB3   GLU-  79  18.72 +/- 3.77   0.636% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU-  79  19.55 +/- 3.65   0.257% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU-  79  22.94 +/- 4.57   0.219% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  79  18.42 +/- 2.41   0.258% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLN   90  14.56 +/- 2.05   0.561% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLN   90  20.88 +/- 3.63   0.213% *  0.0214% (0.21   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLN   90  18.48 +/- 1.75   0.237% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLN   90  25.62 +/- 1.44   0.082% *  0.0259% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2906 (2.90, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.884, support = 3.29, residual support = 11.5:
          HB2   ASP-  76 - HB3   GLU-  79   3.47 +/- 1.21  55.717% * 33.9168% (1.00  1.00   1.92   2.46) =  51.328%  kept
          HB2   ASP-  78 - HB3   GLU-  79   5.12 +/- 0.75  27.817% * 64.3127% (0.76  1.00   4.75  21.02) =  48.592%  kept
        T HB2   ASN   28 - HB3   GLU-  79  16.11 +/- 4.02   1.712% *  0.6209% (0.18 10.00   0.02   0.02) =   0.029%
          HB2   ASN   69 - HB3   GLU-  79  21.96 +/- 4.26   1.632% *  0.3422% (0.97  1.00   0.02   0.02) =   0.015%
          QE    LYS+  33 - HB3   GLU-  79  17.40 +/- 4.07   4.294% *  0.0884% (0.25  1.00   0.02   0.02) =   0.010%
          HB2   ASP-  76 - HB2   GLN   90  14.35 +/- 4.06   2.884% *  0.1314% (0.37  1.00   0.02   0.02) =   0.010%
          HB2   ASP-  78 - HB2   GLN   90  14.38 +/- 4.14   2.349% *  0.1007% (0.28  1.00   0.02   0.02) =   0.006%
        T HB2   ASN   28 - HB2   GLN   90  22.09 +/- 4.15   0.661% *  0.2307% (0.07 10.00   0.02   0.02) =   0.004%
          QE    LYS+  33 - HB2   GLN   90  24.06 +/- 4.37   1.698% *  0.0328% (0.09  1.00   0.02   0.02) =   0.002%
          QE    LYS+  66 - HB3   GLU-  79  18.52 +/- 2.86   0.684% *  0.0702% (0.20  1.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - HB2   GLN   90  26.40 +/- 3.43   0.251% *  0.1271% (0.36  1.00   0.02   0.02) =   0.001%
          QE    LYS+  66 - HB2   GLN   90  23.34 +/- 3.19   0.302% *  0.0261% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2907 (4.26, 2.14, 31.53 ppm):
    20 chemical-shift based assignments, quality = 0.8, support = 4.39, residual support = 56.7:
      O T HA    GLU-  79 - HB3   GLU-  79   2.63 +/- 0.18  66.210% * 97.6481% (0.80  10.0 10.00   4.40  56.73) =  99.904%  kept
          HB    THR   77 - HB3   GLU-  79   7.58 +/- 0.92   3.904% *  1.2620% (0.31   1.0  1.00   0.67   0.02) =   0.076%
        T HA    GLU-  79 - HB2   GLN   90  13.73 +/- 3.85   1.111% *  0.3628% (0.30   1.0 10.00   0.02   0.02) =   0.006%
          HA    THR   39 - HB3   GLU-  79  20.70 +/- 4.77   1.804% *  0.1058% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HB    THR   77 - HB2   GLN   90  10.88 +/- 5.21  12.974% *  0.0140% (0.11   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   57 - HB3   GLU-  79  16.78 +/- 3.94   1.145% *  0.1195% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY   51 - HB3   GLU-  79  18.40 +/- 5.31   0.889% *  0.1154% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - HB2   GLN   90   7.10 +/- 1.72   6.761% *  0.0140% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB2   GLN   90  17.29 +/- 4.05   0.922% *  0.0429% (0.35   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB3   GLU-  79  19.47 +/- 4.39   0.602% *  0.0501% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  12.25 +/- 2.10   0.830% *  0.0304% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  13.05 +/- 0.92   0.591% *  0.0376% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  18.39 +/- 4.39   0.324% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB3   GLU-  79  24.34 +/- 4.63   0.383% *  0.0339% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  12.78 +/- 1.77   0.768% *  0.0113% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  24.86 +/- 3.97   0.136% *  0.0393% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  19.37 +/- 1.93   0.198% *  0.0186% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  27.08 +/- 5.98   0.122% *  0.0271% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  36.05 +/- 7.40   0.195% *  0.0101% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB2   GLN   90  22.60 +/- 3.33   0.131% *  0.0126% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2908 (4.47, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.268, support = 3.94, residual support = 88.1:
      O T HA    GLN   90 - HB2   GLN   90   2.64 +/- 0.22  78.217% * 87.0298% (0.27  10.0 10.00   3.96  89.27) =  97.939%  kept
          HA    ALA   91 - HB2   GLN   90   4.80 +/- 0.39  14.736% *  9.4594% (0.18   1.0  1.00   3.24  32.36) =   2.006%  kept
        T HA    GLN   90 - HB3   GLU-  79  12.43 +/- 2.98   1.341% *  2.3423% (0.73   1.0 10.00   0.02   0.02) =   0.045%
          HA    PHE   55 - HB3   GLU-  79  20.56 +/- 5.13   0.807% *  0.1697% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA  110 - HB2   GLN   90  14.32 +/- 2.96   1.156% *  0.1001% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   27 - HB3   GLU-  79  12.97 +/- 3.51   1.270% *  0.0897% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   91 - HB3   GLU-  79  14.60 +/- 2.99   0.651% *  0.1570% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - HB3   GLU-  79  20.48 +/- 4.10   0.342% *  0.2694% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HB2   GLN   90  15.31 +/- 2.85   0.748% *  0.0775% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HB3   GLU-  79  20.13 +/- 2.60   0.221% *  0.2087% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - HB2   GLN   90  20.42 +/- 3.08   0.262% *  0.0631% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   GLN   90  20.38 +/- 3.46   0.247% *  0.0333% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2909 (2.90, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 0.881, support = 3.19, residual support = 11.7:
          HB2   ASP-  76 - HB2   GLU-  79   3.64 +/- 1.21  62.744% * 33.0174% (1.00   1.77   2.46) =  50.213%  kept
          HB2   ASP-  78 - HB2   GLU-  79   5.34 +/- 0.82  30.925% * 66.3875% (0.76   4.63  21.02) =  49.761%  kept
          HB2   ASN   69 - HB2   GLU-  79  21.98 +/- 4.35   1.953% *  0.3617% (0.97   0.02   0.02) =   0.017%
          QE    LYS+  33 - HB2   GLU-  79  17.53 +/- 4.10   2.638% *  0.0935% (0.25   0.02   0.02) =   0.006%
          QE    LYS+  66 - HB2   GLU-  79  18.66 +/- 2.47   0.868% *  0.0742% (0.20   0.02   0.02) =   0.002%
          HB2   ASN   28 - HB2   GLU-  79  16.17 +/- 4.11   0.872% *  0.0656% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.88 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2910 (8.07, 2.31, 31.53 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 5.73, residual support = 49.4:
          HN    LEU   80 - HB2   GLU-  79   2.86 +/- 0.54  89.759% * 98.6059% (0.61   5.73  49.37) =  99.970%  kept
          HN    CYS   53 - HB2   GLU-  79  17.00 +/- 4.20   6.397% *  0.2131% (0.38   0.02   0.02) =   0.015%
          HN    SER   85 - HB2   GLU-  79  10.07 +/- 1.15   2.512% *  0.2763% (0.49   0.02   0.02) =   0.008%
          HN    ALA   34 - HB2   GLU-  79  18.68 +/- 4.06   0.799% *  0.4123% (0.73   0.02   0.02) =   0.004%
          HN    GLN   32 - HB2   GLU-  79  18.56 +/- 3.82   0.532% *  0.4925% (0.87   0.02   0.02) =   0.003%
    Distance limit 3.45 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2911 (8.07, 2.14, 31.53 ppm):
    10 chemical-shift based assignments, quality = 0.606, support = 5.88, residual support = 49.3:
          HN    LEU   80 - HB3   GLU-  79   3.34 +/- 0.74  67.376% * 98.0246% (0.61   5.88  49.37) =  99.919%  kept
          HN    CYS   53 - HB3   GLU-  79  16.89 +/- 4.73   6.801% *  0.2063% (0.38   0.02   0.02) =   0.021%
          HN    LEU   80 - HB2   GLN   90  12.39 +/- 3.23   8.709% *  0.1239% (0.23   0.02   0.02) =   0.016%
          HN    SER   85 - HB2   GLN   90   8.12 +/- 1.81   9.836% *  0.0994% (0.18   0.02   0.02) =   0.015%
          HN    SER   85 - HB3   GLU-  79  10.72 +/- 0.74   2.559% *  0.2676% (0.49   0.02   0.02) =   0.010%
          HN    ALA   34 - HB3   GLU-  79  18.65 +/- 4.01   1.690% *  0.3992% (0.73   0.02   0.02) =   0.010%
          HN    GLN   32 - HB3   GLU-  79  18.52 +/- 3.75   0.708% *  0.4768% (0.87   0.02   0.02) =   0.005%
          HN    CYS   53 - HB2   GLN   90  15.98 +/- 3.73   1.745% *  0.0767% (0.14   0.02   0.02) =   0.002%
          HN    GLN   32 - HB2   GLN   90  23.85 +/- 4.49   0.313% *  0.1772% (0.32   0.02   0.02) =   0.001%
          HN    ALA   34 - HB2   GLN   90  24.29 +/- 4.30   0.264% *  0.1483% (0.27   0.02   0.02) =   0.001%
    Distance limit 3.40 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2912 (8.61, 2.14, 31.53 ppm):
    8 chemical-shift based assignments, quality = 0.225, support = 5.58, residual support = 89.2:
      O   HN    GLN   90 - HB2   GLN   90   3.63 +/- 0.45  84.911% * 98.6230% (0.23  10.0   5.59  89.27) =  99.968%  kept
          HN    GLN   90 - HB3   GLU-  79  12.92 +/- 2.59   3.156% *  0.2654% (0.61   1.0   0.02   0.02) =   0.010%
          HN    ILE  103 - HB3   GLU-  79  20.89 +/- 4.75   1.967% *  0.3504% (0.80   1.0   0.02   0.02) =   0.008%
          HN    GLY  109 - HB2   GLN   90  12.13 +/- 3.07   3.288% *  0.1458% (0.33   1.0   0.02   0.02) =   0.006%
          HE1   HIS   22 - HB3   GLU-  79  11.56 +/- 3.45   4.820% *  0.0675% (0.15   1.0   0.02   0.02) =   0.004%
          HN    GLY  109 - HB3   GLU-  79  19.30 +/- 3.29   0.741% *  0.3925% (0.90   1.0   0.02   0.02) =   0.003%
          HN    ILE  103 - HB2   GLN   90  20.25 +/- 2.21   0.528% *  0.1302% (0.30   1.0   0.02   0.02) =   0.001%
          HE1   HIS   22 - HB2   GLN   90  22.01 +/- 3.89   0.590% *  0.0251% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2913 (8.07, 2.38, 37.37 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 5.23, residual support = 49.4:
          HN    LEU   80 - QG    GLU-  79   3.50 +/- 0.63  87.791% * 98.4763% (0.61   5.23  49.37) =  99.953%  kept
          HN    SER   85 - QG    GLU-  79   9.23 +/- 1.44   6.899% *  0.3020% (0.49   0.02   0.02) =   0.024%
          HN    GLN   32 - QG    GLU-  79  17.08 +/- 3.32   1.365% *  0.5382% (0.87   0.02   0.02) =   0.008%
          HN    ALA   34 - QG    GLU-  79  17.33 +/- 3.44   1.472% *  0.4506% (0.73   0.02   0.02) =   0.008%
          HN    CYS   53 - QG    GLU-  79  15.92 +/- 4.08   2.472% *  0.2329% (0.38   0.02   0.02) =   0.007%
    Distance limit 3.69 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2914 (8.06, 4.27, 58.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 5.59, residual support = 49.4:
      O   HN    LEU   80 - HA    GLU-  79   3.42 +/- 0.34  93.814% * 99.2120% (0.28  10.0   5.59  49.37) =  99.982%  kept
          HN    SER   85 - HA    GLU-  79  10.02 +/- 0.99   4.284% *  0.2980% (0.84   1.0   0.02   0.02) =   0.014%
          HN    GLN   32 - HA    GLU-  79  19.89 +/- 3.57   0.664% *  0.3560% (1.00   1.0   0.02   0.02) =   0.003%
          HN    ALA   34 - HA    GLU-  79  20.14 +/- 3.69   1.238% *  0.1339% (0.38   1.0   0.02   0.02) =   0.002%
    Distance limit 3.32 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2915 (1.40, 0.59, 24.39 ppm):
    15 chemical-shift based assignments, quality = 0.675, support = 4.54, residual support = 85.4:
      O   HB2   LEU   80 - QD2   LEU   80   2.46 +/- 0.32  37.904% * 71.2691% (0.87  10.0  1.00   4.28  85.37) =  63.373%  kept
      O   HG    LEU   80 - QD2   LEU   80   2.12 +/- 0.02  55.686% * 28.0259% (0.34  10.0  1.00   4.99  85.37) =  36.612%  kept
        T HB3   LEU   73 - QD2   LEU   80  10.32 +/- 4.30   2.164% *  0.2049% (0.25   1.0 10.00   0.02   0.02) =   0.010%
          HB3   LYS+  74 - QD2   LEU   80  10.45 +/- 3.15   1.025% *  0.0805% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QB    LEU   98 - QD2   LEU   80  12.63 +/- 3.77   0.532% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - QD2   LEU   80  13.61 +/- 4.45   0.531% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   80  17.46 +/- 4.64   0.243% *  0.0628% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   80  13.68 +/- 3.92   0.446% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   80  15.35 +/- 5.34   0.305% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   80  15.54 +/- 3.24   0.271% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   80  21.13 +/- 3.34   0.085% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   80  12.42 +/- 2.95   0.390% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   80  15.49 +/- 3.05   0.189% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   80  19.22 +/- 4.54   0.129% *  0.0183% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   80  20.23 +/- 3.73   0.099% *  0.0144% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2916 (4.82, 0.59, 24.39 ppm):
    5 chemical-shift based assignments, quality = 0.871, support = 5.75, residual support = 77.1:
          HA    LEU   80 - QD2   LEU   80   2.42 +/- 0.59  67.587% * 60.3414% (0.87   6.22  85.37) =  90.144%  kept
          HA    THR   23 - QD2   LEU   80   9.85 +/- 6.14  17.495% * 15.8722% (0.99   1.43   0.74) =   6.138%  kept
          HA    ASP-  78 - QD2   LEU   80   6.73 +/- 1.70   8.417% * 10.0656% (0.80   1.12   6.16) =   1.873%  kept
          HB    THR   23 - QD2   LEU   80  11.02 +/- 5.80   6.126% * 13.6206% (0.73   1.68   0.74) =   1.844%  kept
          HA    ASP- 105 - QD2   LEU   80  18.53 +/- 3.04   0.375% *  0.1002% (0.45   0.02   0.02) =   0.001%
    Distance limit 2.79 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2917 (7.32, 0.59, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.576, support = 4.3, residual support = 23.8:
          HN    LYS+  81 - QD2   LEU   80   4.32 +/- 0.79  42.914% * 41.1813% (0.38   5.92  40.00) =  54.179%  kept
          HE3   TRP   27 - QD2   LEU   80  10.29 +/- 6.14  28.109% * 41.8001% (0.92   2.44   5.84) =  36.020%  kept
          HN    THR   23 - QD2   LEU   80   9.75 +/- 5.49  19.234% * 16.4807% (0.41   2.16   0.74) =   9.718%  kept
          QD    PHE   55 - QD2   LEU   80  18.03 +/- 4.56   7.387% *  0.3215% (0.87   0.02   0.02) =   0.073%
          QE    PHE   95 - QD2   LEU   80  13.05 +/- 2.90   1.646% *  0.1662% (0.45   0.02   0.02) =   0.008%
          HN    LEU   67 - QD2   LEU   80  16.22 +/- 2.16   0.709% *  0.0502% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.61 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2918 (9.19, 0.59, 24.39 ppm):
    2 chemical-shift based assignments, quality = 0.308, support = 2.03, residual support = 4.32:
          HN    VAL   24 - QD2   LEU   80   9.69 +/- 6.47  62.294% * 99.2990% (0.31   2.04   4.33) =  99.575%  kept
          HN    VAL   43 - QD2   LEU   80  11.86 +/- 4.05  37.706% *  0.7010% (0.22   0.02   0.02) =   0.425%  kept
    Distance limit 3.56 A violated in 11 structures by 4.78 A, kept.
 
    Peak 2919 (7.32, 0.56, 25.66 ppm):
    12 chemical-shift based assignments, quality = 0.286, support = 4.52, residual support = 34.2:
          HN    LYS+  81 - QD1   LEU   80   3.95 +/- 1.15  38.612% * 71.7618% (0.24   5.29  40.00) =  83.759%  kept
          HE3   TRP   27 - QD1   LEU   80  10.98 +/- 6.22  19.841% * 20.0893% (0.60   0.60   5.84) =  12.049%  kept
          HN    THR   23 - QD1   LEU   80  10.08 +/- 6.12  22.991% *  5.7890% (0.27   0.39   0.74) =   4.023%  kept
          HE3   TRP   27 - QD2   LEU   98   9.26 +/- 3.37   6.302% *  0.3827% (0.34   0.02   0.02) =   0.073%
          QD    PHE   55 - QD1   LEU   80  17.90 +/- 4.30   2.082% *  0.6274% (0.56   0.02   0.02) =   0.039%
          HN    LYS+  81 - QD2   LEU   98  14.49 +/- 4.05   3.027% *  0.1556% (0.14   0.02   0.02) =   0.014%
          QE    PHE   95 - QD1   LEU   80  13.12 +/- 2.70   1.414% *  0.3243% (0.29   0.02   0.02) =   0.014%
          QE    PHE   95 - QD2   LEU   98  10.96 +/- 1.32   2.009% *  0.1859% (0.17   0.02   0.02) =   0.011%
          HN    THR   23 - QD2   LEU   98  12.99 +/- 3.52   1.814% *  0.1704% (0.15   0.02   0.02) =   0.009%
          QD    PHE   55 - QD2   LEU   98  17.95 +/- 2.04   0.425% *  0.3596% (0.32   0.02   0.02) =   0.005%
          HN    LEU   67 - QD1   LEU   80  16.73 +/- 2.96   0.671% *  0.0979% (0.09   0.02   0.02) =   0.002%
          HN    LEU   67 - QD2   LEU   98  14.88 +/- 2.92   0.812% *  0.0561% (0.05   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2920 (7.30, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 5.21, residual support = 105.0:
          HN    LYS+  81 - QG    LYS+  81   2.71 +/- 0.50  87.747% * 96.2300% (0.87   5.22 105.05) =  99.952%  kept
          HE3   TRP   27 - QG    LYS+  81  15.27 +/- 4.16   1.154% *  2.6300% (0.45   0.28   0.02) =   0.036%
          HE3   TRP   27 - HG2   LYS+  33   8.66 +/- 1.25   3.577% *  0.0913% (0.21   0.02   0.02) =   0.004%
          QD    PHE   60 - QG    LYS+  81  14.76 +/- 2.94   1.193% *  0.2237% (0.53   0.02   0.02) =   0.003%
          QD    PHE   55 - QG    LYS+  81  18.15 +/- 3.45   0.821% *  0.1596% (0.38   0.02   0.02) =   0.002%
          QD    PHE   60 - HG2   LYS+  33  15.78 +/- 2.66   0.695% *  0.1071% (0.25   0.02   0.02) =   0.001%
          QD    PHE   60 - HG2   LYS+ 106  13.01 +/- 2.82   1.339% *  0.0492% (0.12   0.02   0.02) =   0.001%
          HN    LYS+  81 - HG2   LYS+  33  21.34 +/- 5.01   0.334% *  0.1766% (0.42   0.02   0.02) =   0.001%
          HN    LYS+  81 - HG2   LYS+ 106  18.99 +/- 3.36   0.448% *  0.0812% (0.19   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  15.66 +/- 2.62   0.763% *  0.0420% (0.10   0.02   0.02) =   0.000%
          HN    LYS+  66 - QG    LYS+  81  19.56 +/- 2.48   0.438% *  0.0576% (0.14   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  17.45 +/- 2.29   0.447% *  0.0351% (0.08   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  25.89 +/- 3.27   0.162% *  0.0764% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+  33  17.70 +/- 2.75   0.390% *  0.0276% (0.06   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+ 106  19.36 +/- 3.34   0.493% *  0.0127% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2921 (8.00, 1.56, 25.02 ppm):
    9 chemical-shift based assignments, quality = 0.642, support = 0.62, residual support = 1.21:
          HN    GLU-  79 - QG    LYS+  81   6.39 +/- 1.36  46.013% * 92.7911% (0.65   0.63   1.23) =  98.956%  kept
          HN    GLU-  79 - HG2   LYS+  33  19.18 +/- 3.99   8.054% *  1.4185% (0.31   0.02   0.02) =   0.265%  kept
          HN    VAL   70 - HG2   LYS+  33  14.02 +/- 3.16  11.104% *  0.9015% (0.20   0.02   0.02) =   0.232%  kept
          HN    THR   94 - QG    LYS+  81  12.19 +/- 2.26   8.664% *  1.1420% (0.25   0.02   0.02) =   0.229%  kept
          HN    VAL   70 - QG    LYS+  81  20.80 +/- 3.43   2.714% *  1.8828% (0.41   0.02   0.02) =   0.118%  kept
          HN    THR   94 - HG2   LYS+ 106  10.53 +/- 1.23  14.282% *  0.2513% (0.05   0.02   0.02) =   0.083%
          HN    GLU-  79 - HG2   LYS+ 106  18.33 +/- 3.29   3.279% *  0.6519% (0.14   0.02   0.02) =   0.050%
          HN    THR   94 - HG2   LYS+  33  21.17 +/- 2.70   3.369% *  0.5468% (0.12   0.02   0.02) =   0.043%
          HN    VAL   70 - HG2   LYS+ 106  18.81 +/- 3.72   2.521% *  0.4143% (0.09   0.02   0.02) =   0.024%
    Distance limit 3.89 A violated in 12 structures by 2.31 A, kept.
 
    Peak 2922 (7.32, 1.87, 32.96 ppm):
    12 chemical-shift based assignments, quality = 0.375, support = 5.75, residual support = 105.0:
      O   HN    LYS+  81 - QB    LYS+  81   2.23 +/- 0.20  87.344% * 99.1682% (0.38  10.0   5.75 105.05) =  99.993%  kept
          QD    PHE   55 - HB3   PRO   52   5.22 +/- 0.53   7.614% *  0.0263% (0.10   1.0   0.02   0.43) =   0.002%
          QD    PHE   55 - QB    LYS+  81  18.08 +/- 3.49   0.621% *  0.2292% (0.87   1.0   0.02   0.02) =   0.002%
          HE3   TRP   27 - QB    LYS+  81  15.11 +/- 3.94   0.475% *  0.2439% (0.92   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - QB    LYS+  81  14.17 +/- 3.99   0.659% *  0.1086% (0.41   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - QB    LYS+  81  13.71 +/- 2.20   0.591% *  0.1185% (0.45   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - HB3   PRO   52  11.03 +/- 3.02   1.579% *  0.0136% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PRO   52  20.53 +/- 4.54   0.527% *  0.0114% (0.04   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    LYS+  81  19.84 +/- 2.04   0.154% *  0.0358% (0.14   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   PRO   52  22.89 +/- 2.65   0.103% *  0.0280% (0.11   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   PRO   52  23.75 +/- 3.68   0.099% *  0.0125% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   PRO   52  19.65 +/- 3.10   0.235% *  0.0041% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2923 (7.30, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 5.37, residual support = 105.1:
      O   HN    LYS+  81 - HA    LYS+  81   2.79 +/- 0.06  96.918% * 99.8291% (0.87  10.0   5.37 105.05) =  99.998%  kept
          QD    PHE   60 - HA    LYS+  81  15.04 +/- 3.01   0.898% *  0.0605% (0.53   1.0   0.02   0.02) =   0.001%
          HE3   TRP   27 - HA    LYS+  81  15.26 +/- 4.16   1.047% *  0.0516% (0.45   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - HA    LYS+  81  19.36 +/- 3.45   0.847% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HA    LYS+  81  20.46 +/- 2.08   0.290% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2924 (4.83, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.587, support = 3.73, residual support = 26.1:
          HA    LEU   80 - QG    LYS+  81   4.70 +/- 0.69  42.368% * 58.5799% (0.38   5.07  40.00) =  64.785%  kept
          HA    ASP-  78 - QG    LYS+  81   5.54 +/- 2.35  35.017% * 38.2607% (0.98   1.27   0.43) =  34.972%  kept
          HA    THR   23 - QG    LYS+  81  13.82 +/- 5.20   3.945% *  1.8256% (0.76   0.08   0.02) =   0.188%  kept
          HA    ASP-  78 - HG2   LYS+  33  21.70 +/- 4.65   1.765% *  0.2889% (0.47   0.02   0.02) =   0.013%
          HB    THR   23 - QG    LYS+  81  15.21 +/- 5.05   2.369% *  0.1535% (0.25   0.02   0.02) =   0.009%
          HA    PHE   45 - QG    LYS+  81  10.31 +/- 2.40   3.480% *  0.0950% (0.15   0.02   0.02) =   0.009%
          HA    THR   23 - HG2   LYS+  33  14.11 +/- 1.45   1.374% *  0.2252% (0.37   0.02   0.02) =   0.008%
          HA    ASP-  78 - HG2   LYS+ 106  19.69 +/- 3.61   1.106% *  0.1328% (0.22   0.02   0.02) =   0.004%
          HB    THR   23 - HG2   LYS+  33  13.72 +/- 1.99   1.621% *  0.0735% (0.12   0.02   0.02) =   0.003%
          HA    LEU   80 - HG2   LYS+  33  19.45 +/- 5.20   0.895% *  0.1106% (0.18   0.02   0.02) =   0.003%
          HA    PHE   45 - HG2   LYS+  33  18.72 +/- 2.94   1.728% *  0.0455% (0.07   0.02   0.02) =   0.002%
          HA    PHE   45 - HG2   LYS+ 106  12.21 +/- 2.01   2.737% *  0.0209% (0.03   0.02   0.02) =   0.001%
          HA    THR   23 - HG2   LYS+ 106  20.22 +/- 3.98   0.524% *  0.1035% (0.17   0.02   0.02) =   0.001%
          HA    LEU   80 - HG2   LYS+ 106  18.79 +/- 3.27   0.686% *  0.0508% (0.08   0.02   0.02) =   0.001%
          HB    THR   23 - HG2   LYS+ 106  21.75 +/- 3.73   0.384% *  0.0338% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2925 (9.48, 3.99, 61.93 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2926 (8.66, 3.85, 61.93 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 3.4, residual support = 33.3:
      O   HN    SER   82 - HB3   SER   82   2.51 +/- 0.53  99.530% * 99.5254% (0.41  10.0   3.40  33.26) =  99.999%  kept
          HN    GLY   16 - HB3   SER   82  24.26 +/- 6.05   0.354% *  0.2373% (0.98   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HB3   SER   82  27.09 +/- 3.21   0.115% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2927 (6.62, 3.99, 61.93 ppm):
    12 chemical-shift based assignments, quality = 0.374, support = 3.3, residual support = 14.7:
      O   HN    TRP   49 - HA    SER   48   3.54 +/- 0.07  32.890% * 84.5405% (0.40  10.0   3.24  14.42) =  83.810%  kept
          HN    VAL   83 - HB2   SER   82   3.23 +/- 0.48  43.599% * 10.2772% (0.24   1.0   4.09  19.13) =  13.506%  kept
          HN    CYS   50 - HA    SER   48   4.84 +/- 1.25  19.255% *  4.6130% (0.36   1.0   1.21   0.02) =   2.677%  kept
          HN    TRP   49 - HB2   SER   82  18.06 +/- 3.23   0.401% *  0.1540% (0.72   1.0   0.02   0.02) =   0.002%
          HN    CYS   50 - HB2   SER   82  19.55 +/- 3.09   0.280% *  0.1384% (0.65   1.0   0.02   0.02) =   0.001%
          HE22  GLN   30 - HA    VAL   70  11.09 +/- 2.13   1.537% *  0.0239% (0.11   1.0   0.02   0.02) =   0.001%
          HE22  GLN   30 - HB2   SER   82  19.28 +/- 4.87   0.313% *  0.0687% (0.32   1.0   0.02   0.02) =   0.001%
          HN    VAL   83 - HA    SER   48  14.98 +/- 2.72   0.631% *  0.0276% (0.13   1.0   0.02   0.02) =   0.001%
          HN    CYS   50 - HA    VAL   70  21.03 +/- 3.76   0.340% *  0.0481% (0.23   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   70  21.79 +/- 3.89   0.289% *  0.0535% (0.25   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - HA    SER   48  20.60 +/- 3.72   0.238% *  0.0377% (0.18   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    VAL   70  20.97 +/- 3.90   0.227% *  0.0174% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2928 (8.66, 3.99, 61.93 ppm):
    9 chemical-shift based assignments, quality = 0.389, support = 4.0, residual support = 33.3:
      O   HN    SER   82 - HB2   SER   82   2.81 +/- 0.52  91.467% * 99.0159% (0.39  10.0   4.00  33.26) =  99.990%  kept
          HN    GLY   16 - HA    VAL   70  11.15 +/- 5.03   4.060% *  0.0820% (0.32   1.0   0.02   0.02) =   0.004%
          HN    GLY   16 - HB2   SER   82  24.58 +/- 5.96   1.004% *  0.2361% (0.93   1.0   0.02   0.02) =   0.003%
          HN    SER  117 - HA    SER   48  20.18 +/- 3.51   0.690% *  0.1296% (0.51   1.0   0.02   0.02) =   0.001%
          HN    SER   82 - HA    SER   48  14.53 +/- 2.98   1.535% *  0.0544% (0.21   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HB2   SER   82  27.37 +/- 3.41   0.165% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    VAL   70  19.03 +/- 2.99   0.448% *  0.0820% (0.32   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    SER   48  25.31 +/- 4.62   0.266% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    VAL   70  22.39 +/- 3.93   0.365% *  0.0344% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2929 (7.56, 1.66, 32.03 ppm):
    4 chemical-shift based assignments, quality = 0.436, support = 5.33, residual support = 40.8:
          HN    ALA   84 - HB    VAL   83   3.41 +/- 0.30  98.004% * 98.8125% (0.44   5.33  40.77) =  99.992%  kept
          HE21  GLN   32 - HB    VAL   83  21.52 +/- 6.10   0.705% *  0.6832% (0.80   0.02   0.02) =   0.005%
          HN    LYS+ 111 - HB    VAL   83  20.86 +/- 3.27   0.601% *  0.3708% (0.44   0.02   0.02) =   0.002%
          HN    ILE   56 - HB    VAL   83  20.88 +/- 3.27   0.690% *  0.1334% (0.16   0.02   0.02) =   0.001%
    Distance limit 3.34 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2930 (6.60, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.651, support = 4.77, residual support = 85.6:
      O   HN    VAL   83 - HB    VAL   83   2.35 +/- 0.53  98.989% * 99.8243% (0.65  10.0   4.77  85.61) =  99.999%  kept
          HN    CYS   50 - HB    VAL   83  17.80 +/- 3.39   0.412% *  0.1375% (0.90   1.0   0.02   0.02) =   0.001%
          HN    TRP   49 - HB    VAL   83  16.71 +/- 3.62   0.599% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2931 (7.61, 3.68, 55.33 ppm):
    5 chemical-shift based assignments, quality = 0.887, support = 0.02, residual support = 0.02:
          HZ2   TRP   87 - HA    ALA   84   7.56 +/- 0.81  56.064% * 31.7530% (0.96   0.02   0.02) =  66.153%  kept
          HD21  ASN   28 - HA    ALA   84  14.43 +/- 4.95  17.976% * 30.7120% (0.93   0.02   0.02) =  20.516%  kept
          QE    PHE   60 - HA    ALA   84  13.54 +/- 3.15  14.405% * 16.7431% (0.51   0.02   0.02) =   8.962%  kept
          HN    LEU   63 - HA    ALA   84  17.75 +/- 1.71   4.947% * 11.9438% (0.36   0.02   0.02) =   2.196%  kept
          HN    ILE   56 - HA    ALA   84  18.38 +/- 2.89   6.608% *  8.8482% (0.27   0.02   0.02) =   2.173%  kept
    Distance limit 3.57 A violated in 20 structures by 3.75 A, eliminated.
    Peak unassigned.
 
    Peak 2932 (6.69, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.807, support = 0.254, residual support = 0.46:
          QE    PHE   45 - HA    ALA   84   4.57 +/- 2.37  76.952% * 88.7261% (0.81   0.26   0.47) =  97.836%  kept
          QD    PHE   72 - HA    ALA   84  13.09 +/- 1.99  16.168% *  7.9060% (0.93   0.02   0.02) =   1.832%  kept
          HZ    PHE   72 - HA    ALA   84  15.72 +/- 1.88   6.880% *  3.3679% (0.40   0.02   0.02) =   0.332%  kept
    Distance limit 4.14 A violated in 6 structures by 1.09 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2933 (1.74, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.913, support = 1.5, residual support = 13.1:
          HB    ILE   89 - HA    ALA   84   2.83 +/- 1.21  94.239% * 98.5868% (0.91   1.50  13.12) =  99.958%  kept
          QG1   ILE   56 - HA    ALA   84  15.76 +/- 2.74   3.689% *  0.6245% (0.43   0.02   0.02) =   0.025%
          HB3   LYS+  99 - HA    ALA   84  18.84 +/- 3.47   2.072% *  0.7886% (0.55   0.02   0.02) =   0.018%
    Distance limit 3.91 A violated in 1 structures by 0.20 A, kept.
 
    Peak 2934 (0.10, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.771, support = 3.25, residual support = 27.6:
          QG2   VAL   83 - HA    ALA   84   3.32 +/- 0.62  54.703% * 46.9323% (0.66   3.52  40.77) =  52.533%  kept
          QD1   ILE   89 - HA    ALA   84   3.83 +/- 1.33  43.790% * 52.9710% (0.89   2.96  13.12) =  47.464%  kept
          QD2   LEU   31 - HA    ALA   84  12.87 +/- 3.16   1.507% *  0.0968% (0.24   0.02   0.02) =   0.003%
    Distance limit 3.84 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2935 (-0.06, 3.68, 55.33 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 2.96, residual support = 13.1:
          HG13  ILE   89 - HA    ALA   84   4.19 +/- 1.51 100.000% *100.0000% (0.55   2.96  13.12) = 100.000%  kept
    Distance limit 3.91 A violated in 5 structures by 0.75 A, kept.
 
    Peak 2936 (0.10, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.771, support = 3.76, residual support = 27.6:
          QG2   VAL   83 - QB    ALA   84   3.70 +/- 0.69  56.170% * 44.1234% (0.66  1.00   3.89  40.77) =  52.418%  kept
          QD1   ILE   89 - QB    ALA   84   4.29 +/- 1.16  40.819% * 55.0536% (0.89  1.00   3.61  13.12) =  47.529%  kept
        T QD2   LEU   31 - QB    ALA   84  11.69 +/- 2.57   3.011% *  0.8230% (0.24 10.00   0.02   0.02) =   0.052%
    Distance limit 3.92 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2937 (-0.06, 1.35, 18.25 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 3.62, residual support = 13.1:
          HG13  ILE   89 - QB    ALA   84   4.60 +/- 1.24 100.000% *100.0000% (0.55   3.62  13.12) = 100.000%  kept
    Distance limit 3.84 A violated in 4 structures by 0.94 A, kept.
 
    Peak 2938 (6.86, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 0.227, residual support = 0.47:
          QD    PHE   45 - QB    ALA   84   4.87 +/- 1.59  93.553% * 96.8634% (0.87   0.23   0.47) =  99.887%  kept
          HD2   HIS  122 - QB    ALA   84  18.58 +/- 2.26   3.847% *  1.6675% (0.17   0.02   0.02) =   0.071%
          HE22  GLN  116 - QB    ALA   84  19.74 +/- 3.69   2.601% *  1.4691% (0.15   0.02   0.02) =   0.042%
    Distance limit 4.06 A violated in 4 structures by 1.05 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2939 (6.64, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.72, support = 0.02, residual support = 0.02:
          HN    TRP   49 - QB    ALA   84  11.05 +/- 2.23  56.514% * 28.9138% (0.59   0.02   0.02) =  48.763%  kept
          HE22  GLN   30 - QB    ALA   84  15.27 +/- 2.68  29.930% * 46.0056% (0.93   0.02   0.02) =  41.091%  kept
          HD22  ASN   69 - QB    ALA   84  20.45 +/- 3.07  13.555% * 25.0806% (0.51   0.02   0.02) =  10.146%  kept
    Distance limit 4.28 A violated in 20 structures by 5.94 A, eliminated.
    Peak unassigned.
 
    Peak 2940 (8.05, 3.96, 63.04 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 3.15, residual support = 18.0:
      O   HN    SER   85 - QB    SER   85   2.21 +/- 0.17  95.176% * 99.7822% (0.99  10.0   3.15  18.03) =  99.999%  kept
          HN    SER   85 - QB    SER   48  12.96 +/- 2.50   0.825% *  0.0243% (0.24   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   85  19.94 +/- 4.68   0.214% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   85  12.94 +/- 1.02   0.565% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   48  22.29 +/- 4.53   0.370% *  0.0213% (0.21   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   48  11.25 +/- 1.23   0.846% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER  117  12.20 +/- 2.21   1.193% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   85  20.75 +/- 4.27   0.223% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - QB    SER  117  21.66 +/- 3.01   0.145% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER  117  23.88 +/- 3.50   0.109% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   48  22.35 +/- 3.89   0.216% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER  117  22.86 +/- 3.22   0.120% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2941 (8.30, 3.96, 63.04 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 3.33, residual support = 13.4:
          HN    ASP-  86 - QB    SER   85   3.03 +/- 0.22  89.235% * 97.6159% (0.87   3.33  13.44) =  99.984%  kept
          HN    GLU-  29 - QB    SER   85  18.58 +/- 4.54   0.658% *  0.6630% (0.98   0.02   0.02) =   0.005%
          HN    GLN   30 - QB    SER   85  18.70 +/- 4.00   0.578% *  0.5416% (0.80   0.02   0.02) =   0.004%
          HN    ASP-  86 - QB    SER   48  14.26 +/- 2.56   1.205% *  0.1431% (0.21   0.02   0.02) =   0.002%
          HN    GLU-  29 - QB    SER   48  20.74 +/- 4.37   0.606% *  0.1617% (0.24   0.02   0.02) =   0.001%
          HN    GLN   30 - QB    SER   48  20.30 +/- 4.03   0.529% *  0.1321% (0.20   0.02   0.02) =   0.001%
          HN    GLU-  14 - QB    SER   85  26.33 +/- 5.21   0.384% *  0.1506% (0.22   0.02   0.02) =   0.001%
          HN    VAL   18 - QB    SER   85  21.43 +/- 3.61   0.402% *  0.0915% (0.14   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER  117  21.77 +/- 2.80   0.361% *  0.0905% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER  117  24.57 +/- 3.95   0.276% *  0.1023% (0.15   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER  117  23.29 +/- 3.62   0.331% *  0.0836% (0.12   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER  117  11.17 +/- 0.66   1.915% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER  117  19.93 +/- 4.89   1.764% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   85  24.16 +/- 3.64   0.220% *  0.0915% (0.14   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   48  19.48 +/- 4.58   0.553% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   48  20.39 +/- 3.68   0.508% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   48  26.54 +/- 5.20   0.184% *  0.0367% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER  117  27.13 +/- 4.55   0.291% *  0.0232% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2942 (8.67, 3.96, 63.04 ppm):
    6 chemical-shift based assignments, quality = 0.124, support = 2.79, residual support = 15.3:
      O   HN    SER  117 - QB    SER  117   2.16 +/- 0.14  99.153% * 98.5738% (0.12  10.0   2.79  15.35) =  99.998%  kept
          HN    GLY   16 - QB    SER   85  23.82 +/- 5.15   0.234% *  0.4517% (0.57   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - QB    SER   85  22.76 +/- 2.66   0.098% *  0.6389% (0.80   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - QB    SER   48  19.27 +/- 3.14   0.228% *  0.1558% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER  117  23.33 +/- 4.42   0.189% *  0.0697% (0.09   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   48  23.88 +/- 4.30   0.098% *  0.1101% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2943 (8.05, 4.28, 61.37 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.65, residual support = 18.0:
      O   HN    SER   85 - HA    SER   85   2.80 +/- 0.05  98.004% * 99.8725% (0.99  10.0   3.65  18.03) =  99.999%  kept
          HN    GLN   32 - HA    SER   85  21.94 +/- 4.78   0.348% *  0.0874% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    SER   85  12.53 +/- 1.17   1.199% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   85  22.63 +/- 4.53   0.448% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2944 (8.31, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.55, residual support = 42.5:
      O   HN    ASP-  86 - HB3   ASP-  86   2.56 +/- 0.57  97.442% * 99.6620% (0.95  10.0   3.55  42.53) =  99.998%  kept
          HN    GLN   30 - HB3   ASP-  86  17.27 +/- 4.89   0.628% *  0.1033% (0.98   1.0   0.02   0.02) =   0.001%
          HN    GLU-  29 - HB3   ASP-  86  17.24 +/- 5.55   0.653% *  0.0596% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASP-  86  16.94 +/- 3.95   0.788% *  0.0472% (0.45   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASP-  86  26.17 +/- 5.28   0.266% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASP-  86  24.99 +/- 4.28   0.223% *  0.0554% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2945 (8.32, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 5.02, residual support = 42.5:
      O   HN    ASP-  86 - HB2   ASP-  86   2.63 +/- 0.28  97.238% * 99.2641% (0.49  10.0   5.02  42.53) =  99.996%  kept
          HN    LYS+  99 - HB2   ASP-  86  16.19 +/- 4.06   0.689% *  0.1883% (0.92   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HB2   ASP-  86  16.91 +/- 4.80   0.721% *  0.1155% (0.57   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HB2   ASP-  86  25.59 +/- 5.50   0.322% *  0.2039% (1.00   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   ASP-  86  24.13 +/- 4.35   0.193% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   ASP-  86  17.03 +/- 5.35   0.836% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2946 (7.73, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.426, support = 3.6, residual support = 22.7:
          HD1   TRP   87 - HB2   ASP-  86   2.98 +/- 0.33  81.175% * 37.5820% (0.38   3.60  22.69) =  77.872%  kept
          HE3   TRP   87 - HB2   ASP-  86   5.58 +/- 0.51  14.262% * 60.6273% (0.61   3.59  22.69) =  22.072%  kept
          HN    ALA   91 - HB2   ASP-  86  11.18 +/- 1.07   2.007% *  0.5262% (0.95   0.02   0.02) =   0.027%
          HN    TRP   27 - HB2   ASP-  86  15.27 +/- 4.91   1.446% *  0.5368% (0.97   0.02   0.02) =   0.020%
          HN    THR   39 - HB2   ASP-  86  20.72 +/- 5.69   0.776% *  0.2287% (0.41   0.02   0.02) =   0.005%
          HN    ALA   61 - HB2   ASP-  86  20.08 +/- 2.43   0.333% *  0.4989% (0.90   0.02   0.02) =   0.004%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2947 (3.83, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.223, support = 2.25, residual support = 10.8:
        T HA    VAL   83 - HB2   ASP-  86   2.84 +/- 0.59  89.832% * 95.5136% (0.22 10.00   2.25  10.80) =  99.782%  kept
          HB3   SER   82 - HB2   ASP-  86   7.23 +/- 0.90   6.071% *  2.9461% (0.41  1.00   0.33   0.02) =   0.208%  kept
          HA    GLN   30 - HB2   ASP-  86  18.40 +/- 4.34   0.564% *  0.4140% (0.97  1.00   0.02   0.02) =   0.003%
          HD3   PRO   52 - HB2   ASP-  86  22.05 +/- 3.40   0.486% *  0.3960% (0.92  1.00   0.02   0.02) =   0.002%
          HB2   CYS   53 - HB2   ASP-  86  19.92 +/- 2.98   0.500% *  0.3848% (0.90  1.00   0.02   0.02) =   0.002%
          HA    GLU- 100 - HB2   ASP-  86  18.23 +/- 4.90   0.727% *  0.0849% (0.20  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - HB2   ASP-  86  24.07 +/- 5.21   0.691% *  0.0751% (0.18  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - HB2   ASP-  86  20.15 +/- 5.25   0.766% *  0.0662% (0.15  1.00   0.02   0.02) =   0.001%
          HD2   PRO   58 - HB2   ASP-  86  22.75 +/- 3.49   0.363% *  0.1193% (0.28  1.00   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2948 (8.32, 4.30, 57.50 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 4.16, residual support = 42.5:
      O   HN    ASP-  86 - HA    ASP-  86   2.74 +/- 0.03  98.168% * 99.2641% (0.49  10.0   4.16  42.53) =  99.998%  kept
          HN    LYS+  99 - HA    ASP-  86  17.83 +/- 3.71   0.469% *  0.1883% (0.92   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HA    ASP-  86  19.04 +/- 4.86   0.461% *  0.1155% (0.57   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HA    ASP-  86  27.98 +/- 5.55   0.210% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    ASP-  86  26.30 +/- 4.55   0.149% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    ASP-  86  18.93 +/- 5.54   0.543% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2949 (7.72, 4.34, 57.63 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.54, residual support = 70.6:
          HE3   TRP   87 - HA    TRP   87   3.46 +/- 0.18  92.057% * 98.5727% (0.99   3.54  70.63) =  99.964%  kept
          HN    ALA   91 - HA    TRP   87   9.80 +/- 0.86   4.598% *  0.4876% (0.87   0.02   0.02) =   0.025%
          HN    TRP   27 - HA    TRP   87  17.10 +/- 3.94   1.739% *  0.2957% (0.53   0.02   5.63) =   0.006%
          HN    ALA   61 - HA    TRP   87  19.78 +/- 2.92   0.814% *  0.5189% (0.92   0.02   0.02) =   0.005%
          HN    GLN   17 - HA    TRP   87  22.88 +/- 4.54   0.791% *  0.1251% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.14 A violated in 0 structures by 0.32 A, kept.
 
    Peak 2950 (7.72, 3.41, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.23, residual support = 70.6:
      O   HE3   TRP   87 - HB2   TRP   87   2.48 +/- 0.35  95.549% * 99.7445% (0.99  10.0   3.23  70.63) =  99.997%  kept
          HN    ALA   91 - HB2   TRP   87   9.18 +/- 0.94   2.510% *  0.0873% (0.87   1.0   0.02   0.02) =   0.002%
          HN    TRP   27 - HB2   TRP   87  16.07 +/- 3.56   0.652% *  0.0529% (0.53   1.0   0.02   5.63) =   0.000%
          HN    ALA   61 - HB2   TRP   87  17.93 +/- 2.81   0.370% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HB2   TRP   87  21.26 +/- 4.71   0.920% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2951 (7.72, 2.50, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.23, residual support = 70.6:
      O   HE3   TRP   87 - HB3   TRP   87   3.87 +/- 0.33  82.666% * 99.7445% (0.99  10.0   3.23  70.63) =  99.984%  kept
          HN    ALA   91 - HB3   TRP   87   7.82 +/- 0.80  12.285% *  0.0873% (0.87   1.0   0.02   0.02) =   0.013%
          HN    ALA   61 - HB3   TRP   87  17.22 +/- 2.87   1.330% *  0.0929% (0.92   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HB3   TRP   87  16.00 +/- 3.18   1.888% *  0.0529% (0.53   1.0   0.02   5.63) =   0.001%
          HN    GLN   17 - HB3   TRP   87  21.35 +/- 4.48   1.832% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.60 A, kept.
 
    Peak 2952 (0.08, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 0.918, support = 2.24, residual support = 17.8:
          QD1   ILE   89 - HB2   TRP   87   4.00 +/- 0.66  67.768% * 60.6229% (0.90   2.46  18.04) =  79.364%  kept
          QG2   VAL   83 - HB2   TRP   87   5.79 +/- 0.66  27.356% * 38.9778% (1.00   1.42  16.74) =  20.598%  kept
          QD2   LEU   31 - HB2   TRP   87  11.94 +/- 3.41   4.875% *  0.3992% (0.73   0.02   1.73) =   0.038%
    Distance limit 3.89 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2953 (0.11, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 0.445, support = 3.94, residual support = 18.0:
        T QD1   ILE   89 - HB3   TRP   87   2.96 +/- 0.59  68.635% * 95.3638% (0.45 10.00   3.97  18.04) =  98.739%  kept
          QG2   VAL   83 - HB3   TRP   87   5.06 +/- 0.54  18.273% *  4.5398% (0.22  1.00   1.92  16.74) =   1.251%  kept
          QG2   VAL   75 - HB3   TRP   87   9.12 +/- 2.83   5.616% *  0.0591% (0.28  1.00   0.02   0.02) =   0.005%
          QG2   VAL   42 - HB3   TRP   87  10.76 +/- 2.49   7.476% *  0.0373% (0.18  1.00   0.02   0.02) =   0.004%
    Distance limit 3.83 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2954 (1.25, 2.50, 28.05 ppm):
    11 chemical-shift based assignments, quality = 0.237, support = 0.73, residual support = 17.6:
          HG12  ILE   89 - HB3   TRP   87   3.31 +/- 0.87  73.067% * 54.8868% (0.22   0.75  18.04) =  97.306%  kept
          QB    ALA   91 - HB3   TRP   87   8.16 +/- 0.77   6.898% *  5.7027% (0.87   0.02   0.02) =   0.954%  kept
          QG2   ILE   56 - HB3   TRP   87  15.01 +/- 3.75   5.663% *  2.7027% (0.41   0.02   0.02) =   0.371%  kept
          QG2   THR   39 - HB3   TRP   87  16.64 +/- 3.40   2.493% *  5.7027% (0.87   0.02   0.02) =   0.345%  kept
          HG2   LYS+  74 - HB3   TRP   87  14.37 +/- 2.55   1.560% *  5.8960% (0.90   0.02   0.02) =   0.223%  kept
          HG3   LYS+  38 - HB3   TRP   87  22.55 +/- 5.12   2.143% *  3.9875% (0.61   0.02   0.02) =   0.207%  kept
          QB    ALA   34 - HB3   TRP   87  14.45 +/- 3.10   4.513% *  1.6393% (0.25   0.02   0.02) =   0.180%  kept
          HG13  ILE   19 - HB3   TRP   87  19.15 +/- 3.06   0.933% *  6.5596% (1.00   0.02   0.02) =   0.149%  kept
          HG3   LYS+  99 - HB3   TRP   87  18.07 +/- 2.66   0.828% *  6.0688% (0.92   0.02   0.02) =   0.122%  kept
          HG    LEU   71 - HB3   TRP   87  19.88 +/- 3.61   0.812% *  5.7027% (0.87   0.02   0.02) =   0.112%  kept
          HG3   LYS+ 111 - HB3   TRP   87  17.95 +/- 3.36   1.091% *  1.1513% (0.18   0.02   0.02) =   0.030%
    Distance limit 3.97 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2955 (7.84, 3.98, 52.68 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 1.63, residual support = 12.0:
      O   HN    ALA   88 - HA    ALA   88   2.24 +/- 0.02  99.173% * 99.0353% (0.38  10.0   1.63  11.97) =  99.998%  kept
          HN    PHE   55 - HA    ALA   88  21.38 +/- 3.53   0.199% *  0.2804% (0.87   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - HA    ALA   88  21.69 +/- 3.43   0.204% *  0.2589% (0.80   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - HA    ALA   88  20.42 +/- 3.77   0.178% *  0.2804% (0.87   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - HA    ALA   88  20.55 +/- 3.78   0.246% *  0.1449% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2956 (7.84, 1.31, 16.77 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 2.05, residual support = 12.0:
      O   HN    ALA   88 - QB    ALA   88   2.96 +/- 0.06  95.256% * 99.2112% (0.38  10.0   2.05  11.97) =  99.991%  kept
          HN    PHE   55 - QB    ALA   88  17.67 +/- 3.36   1.292% *  0.2293% (0.87   1.0   0.02   0.02) =   0.003%
          HN    ASP-  62 - QB    ALA   88  17.94 +/- 3.37   1.221% *  0.2117% (0.80   1.0   0.02   0.02) =   0.003%
          HN    ARG+  54 - QB    ALA   88  17.15 +/- 3.56   1.580% *  0.1185% (0.45   1.0   0.02   0.02) =   0.002%
          HN    LEU   31 - QB    ALA   88  17.14 +/- 2.93   0.651% *  0.2293% (0.87   1.0   0.02   0.02) =   0.002%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2957 (0.10, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 5.98, residual support = 215.6:
          QD1   ILE   89 - HA    ILE   89   3.29 +/- 0.59  85.122% * 99.6619% (0.92   5.98 215.66) =  99.959%  kept
          QG2   VAL   83 - HA    ILE   89   7.03 +/- 1.04  13.354% *  0.2481% (0.69   0.02   0.02) =   0.039%
          QD2   LEU   31 - HA    ILE   89  14.10 +/- 2.24   1.524% *  0.0901% (0.25   0.02   0.02) =   0.002%
    Distance limit 3.22 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2958 (8.62, 3.87, 59.74 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 6.33, residual support = 39.7:
      O   HN    GLN   90 - HA    ILE   89   2.35 +/- 0.11  96.275% * 99.8365% (0.99  10.0   6.33  39.68) =  99.998%  kept
          HN    GLY  109 - HA    ILE   89   9.94 +/- 2.14   2.289% *  0.0280% (0.28   1.0   0.02   0.02) =   0.001%
          HN    SER   82 - HA    ILE   89  11.00 +/- 1.21   1.083% *  0.0452% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ILE  103 - HA    ILE   89  15.92 +/- 2.11   0.354% *  0.0903% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2959 (7.92, 3.87, 59.74 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 6.01, residual support = 215.7:
      O   HN    ILE   89 - HA    ILE   89   2.63 +/- 0.18  98.551% * 99.6601% (0.76  10.0   6.01 215.66) =  99.999%  kept
          HN    CYS   21 - HA    ILE   89  17.72 +/- 2.17   0.414% *  0.1170% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ILE   89  18.67 +/- 2.61   0.345% *  0.1234% (0.95   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE   89  24.05 +/- 4.05   0.314% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE   89  21.92 +/- 3.54   0.377% *  0.0258% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2960 (7.73, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.912, support = 2.4, residual support = 8.29:
          HN    ALA   91 - HA    ILE   89   3.74 +/- 0.53  68.061% * 78.0614% (0.95   2.49   7.64) =  93.694%  kept
          HD1   TRP   87 - HA    ILE   89   6.03 +/- 0.93  21.410% * 14.5875% (0.38   1.17  18.04) =   5.508%  kept
          HE3   TRP   87 - HA    ILE   89   8.12 +/- 0.55   7.453% *  5.8417% (0.61   0.29  18.04) =   0.768%  kept
          HN    ALA   61 - HA    ILE   89  16.43 +/- 3.32   1.792% *  0.5956% (0.90   0.02   0.02) =   0.019%
          HN    TRP   27 - HA    ILE   89  18.02 +/- 2.30   0.773% *  0.6409% (0.97   0.02   0.02) =   0.009%
          HN    THR   39 - HA    ILE   89  22.11 +/- 3.36   0.512% *  0.2730% (0.41   0.02   0.02) =   0.002%
    Distance limit 3.99 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2961 (0.10, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 5.19, residual support = 210.3:
      O T QD1   ILE   89 - HB    ILE   89   2.52 +/- 0.44  54.352% * 90.7176% (0.74  10.0 10.00   5.31 215.66) =  97.535%  kept
        T QD1   ILE   89 - HB    VAL   43   5.12 +/- 1.90  18.904% *  5.1894% (0.16   1.0 10.00   0.52   0.02) =   1.941%  kept
          QG2   VAL   83 - HB    ILE   89   4.94 +/- 0.86   9.076% *  1.7746% (0.55   1.0  1.00   0.53   0.02) =   0.319%  kept
        T QD2   LEU   31 - HB    VAL   43   8.08 +/- 1.86   3.197% *  2.0068% (0.04   1.0 10.00   0.75   0.02) =   0.127%  kept
          QG2   VAL   83 - HB    VAL   43   7.76 +/- 3.40  13.886% *  0.2872% (0.12   1.0  1.00   0.39   0.02) =   0.079%
          QD2   LEU   31 - HB    ILE   89  12.92 +/- 2.76   0.585% *  0.0245% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2962 (-0.07, 1.74, 34.76 ppm):
    2 chemical-shift based assignments, quality = 0.785, support = 4.97, residual support = 215.6:
      O T HG13  ILE   89 - HB    ILE   89   2.60 +/- 0.33  92.654% * 99.7821% (0.78  10.0 10.00   4.97 215.66) =  99.983%  kept
        T HG13  ILE   89 - HB    VAL   43   7.91 +/- 2.17   7.346% *  0.2179% (0.17   1.0 10.00   0.02   0.02) =   0.017%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2963 (7.92, 1.74, 34.76 ppm):
    10 chemical-shift based assignments, quality = 0.612, support = 5.58, residual support = 215.6:
      O   HN    ILE   89 - HB    ILE   89   2.46 +/- 0.47  88.944% * 99.5645% (0.61  10.0   5.58 215.66) =  99.995%  kept
          HN    SER   37 - HB    ILE   89  22.78 +/- 4.71   2.075% *  0.0738% (0.45   1.0   0.02   0.02) =   0.002%
          HN    ILE   89 - HB    VAL   43   9.74 +/- 2.25   2.852% *  0.0217% (0.13   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HB    VAL   43  11.53 +/- 2.81   1.898% *  0.0255% (0.16   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HB    ILE   89  16.10 +/- 2.38   0.404% *  0.1168% (0.72   1.0   0.02   0.02) =   0.001%
          HN    LYS+  33 - HB    ILE   89  20.44 +/- 3.93   1.370% *  0.0258% (0.16   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    VAL   43  15.04 +/- 3.06   1.105% *  0.0269% (0.17   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    ILE   89  19.27 +/- 2.46   0.221% *  0.1232% (0.76   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    VAL   43  16.57 +/- 1.58   0.466% *  0.0161% (0.10   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    VAL   43  14.66 +/- 1.62   0.665% *  0.0056% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2964 (5.61, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - QG2   ILE   89   9.53 +/- 1.32 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.59 A violated in 20 structures by 5.94 A, eliminated.
    Peak unassigned.
 
    Peak 2965 (7.75, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.944, support = 0.886, residual support = 17.9:
          HD1   TRP   87 - QG2   ILE   89   4.58 +/- 0.73  75.029% * 93.3412% (0.95   0.89  18.04) =  99.331%  kept
          HN    GLU-  36 - QG2   ILE   89  19.23 +/- 3.94  16.686% *  2.0920% (0.95   0.02   0.02) =   0.495%  kept
          HN    THR   39 - QG2   ILE   89  17.51 +/- 3.01   3.131% *  2.0415% (0.92   0.02   0.02) =   0.091%
          HN    LYS+ 102 - QG2   ILE   89  15.86 +/- 1.69   1.955% *  1.7709% (0.80   0.02   0.02) =   0.049%
          HN    TRP   27 - QG2   ILE   89  13.54 +/- 2.14   3.199% *  0.7544% (0.34   0.02   0.02) =   0.034%
    Distance limit 3.64 A violated in 0 structures by 0.78 A, kept.
 
    Peak 2966 (8.63, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 7.2, residual support = 39.7:
          HN    GLN   90 - QG2   ILE   89   2.41 +/- 0.60  93.163% * 99.1837% (0.61   7.20  39.68) =  99.977%  kept
          HN    SER   82 - QG2   ILE   89   7.74 +/- 1.30   4.319% *  0.4193% (0.92   0.02   0.02) =   0.020%
          HN    ILE  103 - QG2   ILE   89  13.67 +/- 1.41   0.925% *  0.1867% (0.41   0.02   0.02) =   0.002%
          HN    GLY   16 - QG2   ILE   89  18.90 +/- 3.79   0.784% *  0.1402% (0.31   0.02   0.02) =   0.001%
          HN    SER  117 - QG2   ILE   89  14.91 +/- 1.89   0.808% *  0.0701% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2967 (3.06, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 1.07, residual support = 15.7:
        T HB2   PHE   45 - QG2   ILE   89   3.68 +/- 0.75  92.579% * 99.7071% (0.97 10.00   1.08  15.70) =  99.987%  kept
          QE    LYS+ 111 - QG2   ILE   89  11.97 +/- 2.33   4.548% *  0.1918% (1.00  1.00   0.02   0.02) =   0.009%
          HB2   CYS   21 - QG2   ILE   89  13.54 +/- 2.24   2.873% *  0.1011% (0.53  1.00   0.02   0.02) =   0.003%
    Distance limit 4.05 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2968 (2.29, 0.63, 17.89 ppm):
    11 chemical-shift based assignments, quality = 0.188, support = 5.19, residual support = 36.1:
          QG    GLN   90 - QG2   ILE   89   3.89 +/- 0.70  52.171% * 66.8952% (0.15   5.67  39.68) =  90.858%  kept
          HG2   MET   92 - QG2   ILE   89   7.06 +/- 1.31  14.545% * 13.1552% (0.73   0.24   0.02) =   4.981%  kept
          HB2   ASP-  44 - QG2   ILE   89   7.97 +/- 1.35  10.163% * 14.1060% (0.28   0.66   0.02) =   3.732%  kept
          HB2   GLU-  79 - QG2   ILE   89   8.24 +/- 2.08   9.512% *  0.8661% (0.57   0.02   0.02) =   0.214%  kept
          QG    GLU- 114 - QG2   ILE   89  11.18 +/- 1.63   3.334% *  0.9897% (0.65   0.02   0.02) =   0.086%
          HG3   GLU-  36 - QG2   ILE   89  21.67 +/- 3.98   1.156% *  1.1109% (0.73   0.02   0.02) =   0.033%
          HG2   PRO   52 - QG2   ILE   89  12.01 +/- 2.79   3.569% *  0.3406% (0.22   0.02   0.02) =   0.032%
          HB3   PHE   72 - QG2   ILE   89  11.83 +/- 2.28   3.649% *  0.3028% (0.20   0.02   0.02) =   0.029%
          QB    MET   11 - QG2   ILE   89  23.93 +/- 4.53   0.463% *  1.2779% (0.84   0.02   0.02) =   0.015%
          QG    GLU-  15 - QG2   ILE   89  18.43 +/- 3.44   0.855% *  0.5742% (0.38   0.02   0.02) =   0.013%
          QG    GLU-  14 - QG2   ILE   89  19.04 +/- 2.81   0.583% *  0.3815% (0.25   0.02   0.02) =   0.006%
    Distance limit 3.68 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2969 (2.44, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 0.491, support = 1.15, residual support = 15.6:
        T HB3   PHE   45 - QG2   ILE   89   3.69 +/- 0.84  62.458% * 94.3035% (0.49 10.00   1.16  15.70) =  99.102%  kept
          HB3   ASP-  86 - QG2   ILE   89   7.41 +/- 0.68  10.621% *  4.7337% (1.00  1.00   0.28   0.02) =   0.846%  kept
          HG3   MET   96 - QG2   ILE   89   7.89 +/- 1.33   9.382% *  0.1138% (0.34  1.00   0.02   5.75) =   0.018%
          QE    LYS+ 112 - QG2   ILE   89  12.50 +/- 3.13   4.503% *  0.1624% (0.49  1.00   0.02   0.02) =   0.012%
          HB    VAL  107 - QG2   ILE   89   9.38 +/- 1.14   8.260% *  0.0515% (0.15  1.00   0.02   0.02) =   0.007%
          HB3   ASP-  62 - QG2   ILE   89  14.02 +/- 2.30   1.533% *  0.2549% (0.76  1.00   0.02   0.02) =   0.007%
          HG2   GLU-  29 - QG2   ILE   89  17.89 +/- 2.80   1.068% *  0.3219% (0.97  1.00   0.02   0.02) =   0.006%
          HG2   GLU-  36 - QG2   ILE   89  21.28 +/- 3.95   2.176% *  0.0584% (0.18  1.00   0.02   0.02) =   0.002%
    Distance limit 3.92 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2970 (1.34, 0.63, 17.89 ppm):
    12 chemical-shift based assignments, quality = 0.446, support = 2.75, residual support = 10.5:
          QB    ALA   84 - QG2   ILE   89   2.68 +/- 1.36  51.700% * 24.8529% (0.49   1.88  13.12) =  60.288%  kept
          QB    ALA   88 - QG2   ILE   89   5.25 +/- 0.15  14.026% * 43.9746% (0.31   5.26   8.80) =  28.939%  kept
          HB3   PRO   93 - QG2   ILE   89   7.46 +/- 1.19  12.303% * 11.9891% (0.45   0.99   0.02) =   6.921%  kept
          HB3   ASP-  44 - QG2   ILE   89   7.46 +/- 1.40   4.732% * 15.5870% (0.87   0.66   0.02) =   3.461%  kept
          HB3   LEU   80 - QG2   ILE   89   7.20 +/- 1.97   7.066% *  0.5371% (0.99   0.02   0.02) =   0.178%  kept
          HB2   LEU   31 - QG2   ILE   89  14.81 +/- 2.96   3.687% *  0.5371% (0.99   0.02   0.02) =   0.093%
          HG    LEU   98 - QG2   ILE   89  11.52 +/- 1.89   2.812% *  0.3287% (0.61   0.02   0.02) =   0.043%
          HB2   LEU   63 - QG2   ILE   89  12.70 +/- 1.73   1.063% *  0.5126% (0.95   0.02   0.02) =   0.026%
          HG2   LYS+ 111 - QG2   ILE   89  13.34 +/- 2.44   0.819% *  0.5229% (0.97   0.02   0.02) =   0.020%
          HG2   LYS+  38 - QG2   ILE   89  19.90 +/- 3.26   1.066% *  0.3505% (0.65   0.02   0.02) =   0.018%
          HG2   LYS+  99 - QG2   ILE   89  16.91 +/- 1.39   0.486% *  0.4141% (0.76   0.02   0.02) =   0.009%
          QB    ALA  124 - QG2   ILE   89  19.63 +/- 2.08   0.239% *  0.3935% (0.73   0.02   0.02) =   0.004%
    Distance limit 3.46 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2971 (-0.07, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.82, residual support = 215.7:
      O T HG13  ILE   89 - QG2   ILE   89   2.66 +/- 0.42 100.000% *100.0000% (0.98  10.0 10.00   5.82 215.66) = 100.000%  kept
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2972 (0.10, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.918, support = 6.31, residual support = 210.8:
        T QD1   ILE   89 - QG2   ILE   89   2.03 +/- 0.29  86.077% * 86.8913% (0.92 10.00   6.45 215.66) =  97.760%  kept
        T QG2   VAL   83 - QG2   ILE   89   4.60 +/- 1.00  13.097% * 13.0853% (0.69 10.00   0.40   0.02) =   2.240%  kept
          QD2   LEU   31 - QG2   ILE   89  10.86 +/- 1.98   0.826% *  0.0235% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2973 (0.10, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 5.56, residual support = 215.6:
      O T QD1   ILE   89 - HG12  ILE   89   2.15 +/- 0.02  91.709% * 99.4549% (0.92  10.0 10.00   5.56 215.66) =  99.994%  kept
          QG2   VAL   83 - HG12  ILE   89   6.32 +/- 1.09   5.450% *  0.0740% (0.69   1.0  1.00   0.02   0.02) =   0.004%
        T QD1   ILE   89 - HG3   LYS+  99  14.54 +/- 1.47   0.320% *  0.4033% (0.37   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   31 - HG3   LYS+  99  11.36 +/- 4.09   1.612% *  0.0109% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG12  ILE   89  12.96 +/- 2.17   0.517% *  0.0269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HG3   LYS+  99  16.17 +/- 3.66   0.392% *  0.0300% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2974 (-0.07, 1.22, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.14, residual support = 215.7:
      O T HG13  ILE   89 - HG12  ILE   89   1.75 +/- 0.00  99.901% * 99.5961% (0.98  10.0 10.00   5.14 215.66) = 100.000%  kept
        T HG13  ILE   89 - HG3   LYS+  99  18.52 +/- 2.24   0.099% *  0.4039% (0.40   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2975 (0.08, -0.08, 26.04 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 5.24, residual support = 214.5:
      O T QD1   ILE   89 - HG13  ILE   89   2.15 +/- 0.02  90.728% * 94.4044% (0.90  10.0 10.00   5.27 215.66) =  99.441%  kept
          QG2   VAL   83 - HG13  ILE   89   5.72 +/- 1.13   8.710% *  5.5191% (1.00   1.0  1.00   1.05   0.02) =   0.558%  kept
          QD2   LEU   31 - HG13  ILE   89  12.76 +/- 2.26   0.562% *  0.0764% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2976 (0.64, -0.08, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.82, residual support = 215.7:
      O T QG2   ILE   89 - HG13  ILE   89   2.66 +/- 0.42  91.780% * 99.9734% (0.84  10.0 10.00   5.82 215.66) =  99.998%  kept
          QG1   VAL   83 - HG13  ILE   89   7.53 +/- 1.32   8.220% *  0.0266% (0.22   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2977 (1.75, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.486, support = 4.97, residual support = 215.5:
      O T HB    ILE   89 - HG13  ILE   89   2.60 +/- 0.33  89.768% * 98.8208% (0.49  10.0 10.00   4.97 215.66) =  99.918%  kept
        T HB    VAL   43 - HG13  ILE   89   7.91 +/- 2.17   7.112% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.079%
          QD    LYS+  81 - HG13  ILE   89  10.28 +/- 1.82   2.363% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  99 - HG13  ILE   89  16.52 +/- 2.02   0.392% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG13  ILE   89  16.99 +/- 2.23   0.365% *  0.0313% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2978 (7.92, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.53, residual support = 215.6:
          HN    ILE   89 - HG13  ILE   89   3.41 +/- 0.90  93.804% * 98.7809% (0.76   5.53 215.66) =  99.979%  kept
          HN    CYS   21 - HG13  ILE   89  15.96 +/- 2.15   1.739% *  0.4194% (0.90   0.02   0.02) =   0.008%
          HN    ILE  119 - HG13  ILE   89  17.79 +/- 2.91   1.365% *  0.4424% (0.95   0.02   0.02) =   0.007%
          HN    SER   37 - HG13  ILE   89  22.36 +/- 4.35   1.880% *  0.2648% (0.57   0.02   0.02) =   0.005%
          HN    LYS+  33 - HG13  ILE   89  20.31 +/- 3.30   1.211% *  0.0925% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2979 (7.92, 1.22, 26.04 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 5.76, residual support = 215.6:
          HN    ILE   89 - HG12  ILE   89   2.83 +/- 0.48  92.625% * 98.2266% (0.76   5.76 215.66) =  99.987%  kept
          HN    CYS   21 - HG12  ILE   89  16.54 +/- 2.22   0.682% *  0.4002% (0.90   0.02   0.02) =   0.003%
          HN    ILE  119 - HG12  ILE   89  17.88 +/- 3.02   0.619% *  0.4221% (0.95   0.02   0.02) =   0.003%
          HN    SER   37 - HG3   LYS+  99  14.36 +/- 7.13   2.149% *  0.1025% (0.23   0.02   0.02) =   0.002%
          HN    SER   37 - HG12  ILE   89  22.66 +/- 3.96   0.497% *  0.2526% (0.57   0.02   0.02) =   0.001%
          HN    CYS   21 - HG3   LYS+  99  18.06 +/- 3.90   0.653% *  0.1623% (0.36   0.02   0.02) =   0.001%
          HN    ILE  119 - HG3   LYS+  99  19.47 +/- 4.81   0.561% *  0.1712% (0.38   0.02   0.02) =   0.001%
          HN    LYS+  33 - HG3   LYS+  99  15.26 +/- 5.29   1.413% *  0.0358% (0.08   0.02   0.02) =   0.001%
          HN    ILE   89 - HG3   LYS+  99  19.99 +/- 2.28   0.338% *  0.1383% (0.31   0.02   0.02) =   0.001%
          HN    LYS+  33 - HG12  ILE   89  20.59 +/- 3.20   0.464% *  0.0883% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2980 (-0.07, 0.09, 9.19 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.27, residual support = 215.7:
      O T HG13  ILE   89 - QD1   ILE   89   2.15 +/- 0.02 100.000% *100.0000% (0.98  10.0 10.00   5.27 215.66) = 100.000%  kept
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2981 (0.64, 0.09, 9.19 ppm):
    2 chemical-shift based assignments, quality = 0.834, support = 6.43, residual support = 215.0:
        T QG2   ILE   89 - QD1   ILE   89   2.03 +/- 0.29  94.118% * 95.6755% (0.84 10.00   6.45 215.66) =  99.718%  kept
        T QG1   VAL   83 - QD1   ILE   89   6.04 +/- 1.32   5.882% *  4.3245% (0.22 10.00   0.34   0.02) =   0.282%  kept
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2982 (1.22, 0.09, 9.19 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 5.56, residual support = 215.6:
      O T HG12  ILE   89 - QD1   ILE   89   2.15 +/- 0.02  95.137% * 99.2664% (1.00  10.0 10.00   5.56 215.66) =  99.996%  kept
        T HG3   LYS+  99 - QD1   ILE   89  14.54 +/- 1.47   0.332% *  0.4460% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          HG2   LYS+  74 - QD1   ILE   89   9.94 +/- 2.20   1.480% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - QD1   ILE   89  13.04 +/- 2.59   0.647% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QD1   ILE   89  15.18 +/- 2.77   0.663% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   ILE   89  13.99 +/- 3.61   0.819% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD1   ILE   89  14.36 +/- 2.32   0.471% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD1   ILE   89  14.80 +/- 2.34   0.451% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2983 (1.75, 0.09, 9.19 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 4.9, residual support = 197.1:
      O T HB    ILE   89 - QD1   ILE   89   2.52 +/- 0.44  70.416% * 79.1217% (0.49  10.0 10.00   5.31 215.66) =  91.387%  kept
        T HB    VAL   43 - QD1   ILE   89   5.12 +/- 1.90  25.324% * 20.7254% (0.49   1.0 10.00   0.52   0.02) =   8.609%  kept
          QD    LYS+  81 - QD1   ILE   89   9.10 +/- 1.70   2.847% *  0.0668% (0.41   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LYS+  99 - QD1   ILE   89  12.88 +/- 1.28   0.724% *  0.0610% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QD1   ILE   89  13.26 +/- 1.38   0.688% *  0.0251% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2984 (1.95, 0.09, 9.19 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 1.5, residual support = 5.73:
        T HB3   MET   96 - QD1   ILE   89   4.56 +/- 1.59  63.261% * 97.1862% (0.53 10.00   1.50   5.75) =  99.734%  kept
          HB2   LEU   40 - QD1   ILE   89  13.73 +/- 2.19   5.055% *  2.3053% (0.90  1.00   0.21   0.02) =   0.189%  kept
          HB3   ARG+  54 - QD1   ILE   89  14.99 +/- 2.77   9.840% *  0.2136% (0.87  1.00   0.02   0.02) =   0.034%
          HB    VAL   18 - QD1   ILE   89  13.16 +/- 3.51  12.686% *  0.1494% (0.61  1.00   0.02   0.02) =   0.031%
          HB2   LEU   67 - QD1   ILE   89  14.06 +/- 2.01   7.626% *  0.0840% (0.34  1.00   0.02   0.02) =   0.010%
          HB3   GLU-  14 - QD1   ILE   89  20.31 +/- 3.05   1.532% *  0.0614% (0.25  1.00   0.02   0.02) =   0.002%
    Distance limit 3.62 A violated in 4 structures by 1.08 A, kept.
 
    Peak 2985 (2.49, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.762, support = 3.96, residual support = 18.0:
        T HB3   TRP   87 - QD1   ILE   89   2.96 +/- 0.59  75.983% * 98.3511% (0.76 10.00   3.97  18.04) =  99.567%  kept
          HG3   MET   96 - QD1   ILE   89   5.49 +/- 1.80  21.470% *  1.5056% (0.14  1.00   1.73   5.75) =   0.431%  kept
          HG3   GLN  116 - QD1   ILE   89  15.18 +/- 2.71   0.804% *  0.1075% (0.84  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - QD1   ILE   89  19.79 +/- 3.41   1.743% *  0.0358% (0.28  1.00   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2986 (3.90, 0.09, 9.19 ppm):
    2 chemical-shift based assignments, quality = 0.493, support = 0.02, residual support = 0.02:
          HA    PHE   60 - QD1   ILE   89  11.20 +/- 1.89  55.540% * 62.4025% (0.57   0.02   0.02) =  67.463%  kept
          HB    THR  118 - QD1   ILE   89  12.39 +/- 2.23  44.460% * 37.5975% (0.34   0.02   0.02) =  32.537%  kept
    Distance limit 2.98 A violated in 20 structures by 7.05 A, eliminated.
    Peak unassigned.
 
    Peak 2987 (6.84, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 3.29, residual support = 15.7:
          QD    PHE   45 - QD1   ILE   89   2.85 +/- 0.64  96.912% * 96.9598% (0.45   3.29  15.70) =  99.966%  kept
          HD2   HIS  122 - QD1   ILE   89  14.91 +/- 2.83   1.250% *  1.3031% (0.99   0.02   0.02) =   0.017%
          HE22  GLN  116 - QD1   ILE   89  16.44 +/- 2.91   0.892% *  1.2887% (0.98   0.02   0.02) =   0.012%
          HE22  GLN   17 - QD1   ILE   89  17.80 +/- 3.41   0.947% *  0.4485% (0.34   0.02   0.02) =   0.005%
    Distance limit 3.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2988 (7.69, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.863, support = 2.37, residual support = 18.0:
          HN    TRP   87 - QD1   ILE   89   4.73 +/- 0.71  54.362% * 79.4208% (0.97   2.43  18.04) =  85.126%  kept
          HE3   TRP   87 - QD1   ILE   89   5.28 +/- 0.61  38.936% * 19.2591% (0.28   2.04  18.04) =  14.785%  kept
          HN    GLN   17 - QD1   ILE   89  16.66 +/- 3.45   5.173% *  0.6784% (1.00   0.02   0.02) =   0.069%
          HD21  ASN   69 - QD1   ILE   89  16.78 +/- 2.34   1.529% *  0.6417% (0.95   0.02   0.02) =   0.019%
    Distance limit 3.97 A violated in 0 structures by 0.36 A, kept.
 
    Peak 2989 (7.92, 0.09, 9.19 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.9, residual support = 215.6:
          HN    ILE   89 - QD1   ILE   89   3.51 +/- 0.33  88.451% * 98.8566% (0.76   5.90 215.66) =  99.966%  kept
          HN    CYS   21 - QD1   ILE   89  12.23 +/- 1.99   2.851% *  0.3934% (0.90   0.02   0.02) =   0.013%
          HN    SER   37 - QD1   ILE   89  17.55 +/- 3.08   3.489% *  0.2483% (0.57   0.02   0.02) =   0.010%
          HN    ILE  119 - QD1   ILE   89  14.03 +/- 2.04   1.748% *  0.4149% (0.95   0.02   0.02) =   0.008%
          HN    LYS+  33 - QD1   ILE   89  15.78 +/- 2.67   3.461% *  0.0868% (0.20   0.02   0.02) =   0.003%
    Distance limit 3.85 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2990 (8.61, 2.27, 34.07 ppm):
    3 chemical-shift based assignments, quality = 0.685, support = 5.67, residual support = 89.1:
          HN    GLN   90 - QG    GLN   90   3.35 +/- 0.70  92.262% * 97.7073% (0.69   5.68  89.27) =  99.853%  kept
          HN    GLY  109 - QG    GLN   90  11.13 +/- 2.43   6.892% *  1.8771% (0.69   0.11   0.02) =   0.143%  kept
          HN    ILE  103 - QG    GLN   90  17.51 +/- 1.81   0.846% *  0.4155% (0.83   0.02   0.02) =   0.004%
    Distance limit 3.94 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2991 (8.62, 1.87, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.59, residual support = 89.3:
      O   HN    GLN   90 - HB3   GLN   90   3.22 +/- 0.46  89.813% * 99.8365% (0.83  10.0   5.59  89.27) =  99.995%  kept
          HN    SER   82 - HB3   GLN   90  10.88 +/- 2.64   5.871% *  0.0452% (0.37   1.0   0.02   0.02) =   0.003%
          HN    GLY  109 - HB3   GLN   90  11.76 +/- 3.29   3.832% *  0.0280% (0.23   1.0   0.02   0.02) =   0.001%
          HN    ILE  103 - HB3   GLN   90  19.70 +/- 1.89   0.484% *  0.0903% (0.75   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2992 (8.04, 2.15, 31.73 ppm):
    8 chemical-shift based assignments, quality = 0.161, support = 4.15, residual support = 56.6:
      O   HN    GLU-  79 - HB3   GLU-  79   2.75 +/- 0.52  77.633% * 94.8686% (0.16  10.0   4.16  56.73) =  99.809%  kept
          HN    THR   94 - HB2   GLN   90   9.98 +/- 0.66   2.180% *  3.8398% (0.55   1.0   0.24   0.02) =   0.113%  kept
          HN    SER   85 - HB2   GLN   90   8.12 +/- 1.81  11.457% *  0.3603% (0.61   1.0   0.02   0.02) =   0.056%
          HN    GLU-  79 - HB2   GLN   90  13.01 +/- 3.75   4.028% *  0.1311% (0.22   1.0   0.02   0.02) =   0.007%
          HN    THR   94 - HB3   GLU-  79  13.00 +/- 2.78   1.992% *  0.2344% (0.40   1.0   0.02   0.02) =   0.006%
          HN    SER   85 - HB3   GLU-  79  10.72 +/- 0.74   1.720% *  0.2608% (0.44   1.0   0.02   0.02) =   0.006%
          HN    GLN   32 - HB2   GLN   90  23.85 +/- 4.49   0.492% *  0.1770% (0.30   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HB3   GLU-  79  18.52 +/- 3.75   0.498% *  0.1281% (0.22   1.0   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2993 (4.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.567, support = 4.39, residual support = 56.6:
      O T HA    GLU-  79 - HB3   GLU-  79   2.63 +/- 0.18  66.552% * 94.7258% (0.57  10.0 10.00   4.40  56.73) =  99.771%  kept
          HB    THR   77 - HB3   GLU-  79   7.58 +/- 0.92   3.924% *  2.5946% (0.46   1.0  1.00   0.67   0.02) =   0.161%  kept
        T HA    GLU-  79 - HB2   GLN   90  13.73 +/- 3.85   1.116% *  1.3089% (0.78   1.0 10.00   0.02   0.02) =   0.023%
          HB    THR   77 - HB2   GLN   90  10.88 +/- 5.21  13.041% *  0.1069% (0.64   1.0  1.00   0.02   0.02) =   0.022%
          HA    SER   85 - HB2   GLN   90   7.10 +/- 1.72   6.796% *  0.1069% (0.64   1.0  1.00   0.02   0.02) =   0.011%
          HA    THR   39 - HB3   GLU-  79  20.70 +/- 4.77   1.813% *  0.0914% (0.55   1.0  1.00   0.02   0.02) =   0.003%
          HA1   GLY   51 - HB2   GLN   90  17.29 +/- 4.05   0.927% *  0.1158% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY   51 - HB3   GLU-  79  18.40 +/- 5.31   0.894% *  0.0838% (0.50   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB2   GLN   90  12.78 +/- 1.77   0.772% *  0.0970% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB3   GLU-  79  16.78 +/- 3.94   1.151% *  0.0547% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB3   GLU-  79  12.25 +/- 2.10   0.834% *  0.0702% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB3   GLU-  79  19.47 +/- 4.39   0.606% *  0.0867% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB3   GLU-  79  13.05 +/- 0.92   0.594% *  0.0774% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB2   GLN   90  18.39 +/- 4.39   0.326% *  0.0756% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  19.37 +/- 1.93   0.199% *  0.1198% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  36.05 +/- 7.40   0.196% *  0.0917% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  24.86 +/- 3.97   0.137% *  0.1263% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  27.08 +/- 5.98   0.123% *  0.0664% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2994 (1.30, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.62, support = 0.707, residual support = 0.68:
          QB    ALA   88 - QG    GLN   90   5.05 +/- 1.13  63.876% * 92.7196% (0.62   0.72   0.69) =  97.994%  kept
          QG2   THR   77 - QG    GLN   90   7.95 +/- 3.30  31.436% *  3.6672% (0.88   0.02   0.02) =   1.907%  kept
          QG2   THR   23 - QG    GLN   90  15.65 +/- 3.46   2.562% *  1.4041% (0.34   0.02   0.02) =   0.060%
          HG2   LYS+  38 - QG    GLN   90  24.44 +/- 4.45   1.099% *  1.2762% (0.31   0.02   0.02) =   0.023%
          HG2   LYS+  99 - QG    GLN   90  21.57 +/- 1.65   1.027% *  0.9329% (0.22   0.02   0.02) =   0.016%
    Distance limit 3.53 A violated in 6 structures by 1.07 A, kept.
 
    Peak 2995 (1.53, 2.27, 34.07 ppm):
    10 chemical-shift based assignments, quality = 0.615, support = 0.02, residual support = 0.02:
          QG    LYS+  81 - QG    GLN   90   7.29 +/- 2.06  43.866% *  3.4351% (0.18   0.02   0.02) =  20.850%  kept
          HD3   LYS+  74 - QG    GLN   90  16.07 +/- 2.76   8.614% * 17.3194% (0.89   0.02   0.02) =  20.641%  kept
          HB3   LYS+ 111 - QG    GLN   90  15.59 +/- 2.84   7.487% * 17.3580% (0.90   0.02   0.02) =  17.981%  kept
          HG2   LYS+  33 - QG    GLN   90  21.99 +/- 4.24  10.181% *  8.4490% (0.44   0.02   0.02) =  11.902%  kept
          HG    LEU  104 - QG    GLN   90  18.80 +/- 1.71   4.923% * 17.0143% (0.88   0.02   0.02) =  11.588%  kept
          HG2   LYS+ 106 - QG    GLN   90  13.19 +/- 2.48  14.571% *  2.6782% (0.14   0.02   0.02) =   5.399%  kept
          HB3   LYS+ 121 - QG    GLN   90  21.47 +/- 2.82   2.204% * 17.0143% (0.88   0.02   0.02) =   5.189%  kept
          QD    LYS+  66 - QG    GLN   90  20.45 +/- 2.45   2.957% *  9.8273% (0.51   0.02   0.02) =   4.021%  kept
          HG2   LYS+  65 - QG    GLN   90  20.01 +/- 3.36   3.076% *  3.0399% (0.16   0.02   0.02) =   1.294%  kept
          HD2   LYS+ 121 - QG    GLN   90  21.68 +/- 3.11   2.122% *  3.8645% (0.20   0.02   0.02) =   1.135%  kept
    Distance limit 3.78 A violated in 18 structures by 3.05 A, eliminated.
    Peak unassigned.
 
    Peak 2996 (2.26, 1.89, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.727, support = 2.92, residual support = 60.2:
      O   HG3   MET   92 - HB2   MET   92   2.75 +/- 0.27  87.194% * 78.6381% (0.73  10.0  1.00   2.96  61.21) =  98.392%  kept
        T QG    GLN   90 - HB2   MET   92   8.42 +/- 1.24   5.745% * 19.3883% (0.80   1.0 10.00   0.45   0.10) =   1.598%  kept
        T HB2   ASP- 105 - HB2   MET   92  17.67 +/- 1.45   0.393% *  0.3694% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HB2   MET   92  11.88 +/- 1.87   2.066% *  0.0657% (0.61   1.0  1.00   0.02   0.19) =   0.002%
          HG12  ILE  119 - HB2   MET   92  16.05 +/- 3.16   0.916% *  0.1081% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QG    GLU-  14 - HB2   MET   92  26.39 +/- 3.53   0.124% *  0.7006% (0.65   1.0 10.00   0.02   0.02) =   0.001%
        T QG    GLU-  15 - HB2   MET   92  25.89 +/- 3.89   0.151% *  0.5271% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB2   MET   92  17.61 +/- 3.17   0.863% *  0.0786% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB2   MET   92  13.55 +/- 5.17   2.230% *  0.0190% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HB2   MET   92  25.36 +/- 3.59   0.215% *  0.0905% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   MET   92  27.34 +/- 1.65   0.102% *  0.0147% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2997 (8.47, 1.89, 34.43 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.65, residual support = 61.2:
      O   HN    MET   92 - HB2   MET   92   2.89 +/- 0.62  81.021% * 99.7272% (0.92  10.0   3.65  61.21) =  99.979%  kept
          HN    THR   46 - HB2   MET   92   7.93 +/- 2.40  13.979% *  0.1078% (1.00   1.0   0.02   0.02) =   0.019%
          HN    LYS+ 112 - HB2   MET   92  12.08 +/- 3.90   4.147% *  0.0300% (0.28   1.0   0.02   0.02) =   0.002%
          HN    LYS+  74 - HB2   MET   92  16.82 +/- 2.39   0.755% *  0.0865% (0.80   1.0   0.02   0.02) =   0.001%
          HN    MET   11 - HB2   MET   92  36.97 +/- 5.90   0.098% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2998 (4.89, 1.89, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 3.87, residual support = 61.2:
      O T HA    MET   92 - HB2   MET   92   2.77 +/- 0.30  99.206% * 99.8006% (0.61  10.0 10.00   3.87  61.21) =  99.999%  kept
          HA    VAL   41 - HB2   MET   92  18.50 +/- 2.66   0.565% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB2   MET   92  22.91 +/- 3.53   0.229% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2999 (2.26, 1.69, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.725, support = 3.28, residual support = 61.1:
      O   HG3   MET   92 - HB3   MET   92   2.53 +/- 0.22  90.763% * 92.8301% (0.73  10.0   3.29  61.21) =  99.804%  kept
          HB2   ASP-  44 - HB3   MET   92  11.13 +/- 1.55   2.415% *  4.3362% (0.61   1.0   1.12   0.19) =   0.124%  kept
          QG    GLN   90 - HB3   MET   92   9.06 +/- 1.00   2.522% *  2.2783% (0.80   1.0   0.45   0.10) =   0.068%
          HG12  ILE  119 - HB3   MET   92  14.89 +/- 3.17   1.004% *  0.1276% (1.00   1.0   0.02   0.02) =   0.002%
          HB3   PHE   72 - HB3   MET   92  16.97 +/- 3.13   0.984% *  0.0928% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB3   MET   92  13.29 +/- 5.03   1.515% *  0.0224% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   MET   92  16.94 +/- 1.21   0.339% *  0.0436% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   MET   92  25.15 +/- 3.50   0.135% *  0.1068% (0.84   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   MET   92  25.91 +/- 3.59   0.106% *  0.0827% (0.65   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   MET   92  25.37 +/- 3.90   0.135% *  0.0622% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   92  26.88 +/- 1.32   0.081% *  0.0173% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3000 (4.89, 1.69, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.22, residual support = 61.2:
      O T HA    MET   92 - HB3   MET   92   2.85 +/- 0.15  98.913% * 99.8006% (0.61  10.0 10.00   4.22  61.21) =  99.999%  kept
          HA    HIS  122 - HB3   MET   92  21.86 +/- 3.38   0.395% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   41 - HB3   MET   92  17.98 +/- 2.40   0.692% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3001 (4.89, 2.31, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 61.2:
      O T HA    MET   92 - HG2   MET   92   2.75 +/- 0.47  99.193% * 99.8006% (0.61  10.0 10.00   2.49  61.21) =  99.999%  kept
          HA    HIS  122 - HG2   MET   92  23.42 +/- 3.61   0.321% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HG2   MET   92  19.02 +/- 2.60   0.486% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3002 (4.05, 1.26, 21.81 ppm):
    9 chemical-shift based assignments, quality = 0.371, support = 0.638, residual support = 3.18:
          HB2   SER   37 - QG2   THR   39   3.15 +/- 1.12  68.732% * 47.8501% (0.30   0.74   4.22) =  74.750%  kept
          HA1   GLY   16 - QG2   THR   39   8.84 +/- 4.75  25.027% * 44.0672% (0.60   0.34   0.12) =  25.066%  kept
          HA    LYS+  66 - QG2   THR   39  12.84 +/- 1.79   1.653% *  1.9945% (0.46   0.02   0.02) =   0.075%
          HA    LYS+  66 - QG2   THR   23  17.03 +/- 3.25   1.251% *  1.1192% (0.26   0.02   0.02) =   0.032%
          HA1   GLY   16 - QG2   THR   23  16.41 +/- 1.59   0.818% *  1.4612% (0.33   0.02   0.02) =   0.027%
          HA1   GLY   16 - QB    ALA   91  22.46 +/- 4.35   0.621% *  1.2297% (0.28   0.02   0.02) =   0.017%
          HB2   SER   37 - QG2   THR   23  16.34 +/- 2.19   0.815% *  0.7256% (0.17   0.02   0.02) =   0.013%
          HA    LYS+  66 - QB    ALA   91  19.53 +/- 2.62   0.579% *  0.9418% (0.22   0.02   0.02) =   0.012%
          HB2   SER   37 - QB    ALA   91  22.37 +/- 2.83   0.505% *  0.6106% (0.14   0.02   0.02) =   0.007%
    Distance limit 3.46 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3003 (8.45, 1.69, 34.43 ppm):
    4 chemical-shift based assignments, quality = 0.922, support = 3.99, residual support = 60.9:
      O   HN    MET   92 - HB3   MET   92   3.56 +/- 0.46  79.864% * 97.5997% (0.92  10.0   4.00  61.21) =  99.560%  kept
          HN    THR   46 - HB3   MET   92   7.54 +/- 2.21  14.664% *  2.3379% (0.76   1.0   0.58   0.02) =   0.438%  kept
          HN    ASP- 113 - HB3   MET   92  12.92 +/- 3.55   4.334% *  0.0264% (0.25   1.0   0.02   0.02) =   0.001%
          HN    LYS+  74 - HB3   MET   92  16.26 +/- 2.46   1.137% *  0.0361% (0.34   1.0   0.02   0.02) =   0.001%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3004 (4.43, 1.69, 34.43 ppm):
    10 chemical-shift based assignments, quality = 0.716, support = 0.02, residual support = 0.0251:
          HA    THR   46 - HB3   MET   92   6.46 +/- 2.61  41.087% * 16.4223% (0.80   0.02   0.02) =  59.534%  kept
          HA    VAL   42 - HB3   MET   92  15.06 +/- 2.48  11.063% * 18.3930% (0.90   0.02   0.02) =  17.953%  kept
          HA    PHE   55 - HB3   MET   92  13.48 +/- 3.46  11.596% *  6.3300% (0.31   0.02   0.02) =   6.477%  kept
          HA    GLN   90 - HB3   MET   92   8.60 +/- 0.42  19.595% *  3.5917% (0.18   0.02   0.10) =   6.210%  kept
          HA    PRO   58 - HB3   MET   92  14.92 +/- 3.88  10.491% *  5.1139% (0.25   0.02   0.02) =   4.734%  kept
          HA    GLN   17 - HB3   MET   92  22.99 +/- 4.44   1.643% * 17.7900% (0.87   0.02   0.02) =   2.578%  kept
          HA    SER   37 - HB3   MET   92  28.40 +/- 3.52   0.737% * 17.7900% (0.87   0.02   0.02) =   1.157%  kept
          HA    LEU   40 - HB3   MET   92  20.81 +/- 3.03   2.449% *  3.1644% (0.15   0.02   0.02) =   0.684%  kept
          HA    GLU-  15 - HB3   MET   92  26.89 +/- 4.34   0.866% *  5.7022% (0.28   0.02   0.02) =   0.436%  kept
          HA    SER   13 - HB3   MET   92  31.44 +/- 4.87   0.473% *  5.7022% (0.28   0.02   0.02) =   0.238%  kept
    Distance limit 4.26 A violated in 10 structures by 1.47 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 3005 (4.91, 2.24, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 61.2:
      O T HA    MET   92 - HG3   MET   92   3.22 +/- 0.66  98.106% * 99.9198% (0.99  10.0 10.00   3.97  61.21) =  99.999%  kept
          HA    LYS+  74 - HG3   MET   92  16.01 +/- 3.05   1.349% *  0.0491% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HG3   MET   92  23.33 +/- 3.53   0.545% *  0.0311% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3006 (8.45, 2.24, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 3.74, residual support = 61.1:
          HN    MET   92 - HG3   MET   92   3.69 +/- 0.74  75.624% * 99.2221% (0.92   3.74  61.21) =  99.883%  kept
          HN    THR   46 - HG3   MET   92   8.57 +/- 2.48  17.737% *  0.4389% (0.76   0.02   0.02) =   0.104%  kept
          HN    ASP- 113 - HG3   MET   92  14.08 +/- 3.85   5.572% *  0.1432% (0.25   0.02   0.02) =   0.011%
          HN    LYS+  74 - HG3   MET   92  17.45 +/- 2.49   1.067% *  0.1959% (0.34   0.02   0.02) =   0.003%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3007 (6.88, 2.06, 34.10 ppm):
    4 chemical-shift based assignments, quality = 0.393, support = 0.02, residual support = 0.129:
          QD    PHE   45 - HB2   PRO   93   6.65 +/- 1.11  70.574% * 67.4545% (0.41   0.02   0.14) =  93.735%  kept
          HN    LYS+  65 - HB2   PRO   93  14.46 +/- 2.39   9.674% * 25.3164% (0.15   0.02   0.02) =   4.822%  kept
          QD    PHE   45 - HG3   GLN   30  14.17 +/- 2.20  10.448% *  5.2564% (0.03   0.02   0.02) =   1.081%  kept
          HN    LYS+  65 - HG3   GLN   30  14.62 +/- 2.23   9.304% *  1.9728% (0.01   0.02   0.02) =   0.361%  kept
    Distance limit 4.37 A violated in 16 structures by 2.23 A, eliminated.
    Peak unassigned.
 
    Peak 3008 (8.03, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.37, residual support = 15.6:
      O   HN    THR   94 - HB2   PRO   93   3.84 +/- 0.30  90.670% * 99.8806% (1.00  10.0   4.37  15.58) =  99.996%  kept
          HN    GLU-  79 - HB2   PRO   93  14.07 +/- 3.73   3.473% *  0.0727% (0.73   1.0   0.02   0.02) =   0.003%
          HN    SER   85 - HB2   PRO   93  14.67 +/- 2.13   1.860% *  0.0309% (0.31   1.0   0.02   0.02) =   0.001%
          HN    GLU-  79 - HG3   GLN   30  15.59 +/- 2.91   1.928% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HG3   GLN   30  18.35 +/- 2.37   1.032% *  0.0078% (0.08   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HG3   GLN   30  19.51 +/- 3.83   1.036% *  0.0024% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3009 (6.88, 1.81, 24.81 ppm):
    2 chemical-shift based assignments, quality = 0.398, support = 0.02, residual support = 0.13:
          QD    PHE   45 - HG2   PRO   93   7.75 +/- 0.91  87.305% * 72.7108% (0.41   0.02   0.14) =  94.825%  kept
          HN    LYS+  65 - HG2   PRO   93  16.45 +/- 2.62  12.695% * 27.2892% (0.15   0.02   0.02) =   5.175%  kept
    Distance limit 4.21 A violated in 19 structures by 3.51 A, eliminated.
    Peak unassigned.
 
    Peak 3010 (2.05, 1.68, 24.81 ppm):
    9 chemical-shift based assignments, quality = 0.835, support = 5.3, residual support = 132.4:
      O   HB2   PRO   93 - HG3   PRO   93   2.56 +/- 0.26  89.593% * 98.6893% (0.84  10.0  1.00   5.30 132.40) =  99.986%  kept
          HB2   ARG+  54 - HG3   PRO   93  11.19 +/- 3.71   3.691% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.005%
          HB    ILE  119 - HG3   PRO   93  14.33 +/- 3.89   4.040% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.005%
          HB    VAL  108 - HG3   PRO   93  10.85 +/- 2.19   1.862% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   GLN   30 - HG3   PRO   93  22.72 +/- 3.56   0.207% *  0.7166% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HB2   GLN   30 - HG3   PRO   93  22.11 +/- 3.56   0.264% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   93  26.90 +/- 1.17   0.085% *  0.0987% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   PRO   93  22.49 +/- 3.19   0.212% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG3   PRO   93  36.17 +/- 6.25   0.046% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3011 (1.82, 1.68, 24.81 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 132.4:
      O T HG2   PRO   93 - HG3   PRO   93   1.75 +/- 0.00  94.960% * 96.9677% (0.99  10.0 10.00   3.97 132.40) =  99.993%  kept
        T QB    LYS+  65 - HG3   PRO   93  15.02 +/- 2.90   0.253% *  0.7477% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PRO   52 - HG3   PRO   93   9.57 +/- 4.29   3.799% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.002%
        T HB    VAL   41 - HG3   PRO   93  18.46 +/- 2.87   0.149% *  0.7834% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU  123 - HG3   PRO   93  18.40 +/- 3.93   0.224% *  0.3672% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - HG3   PRO   93  21.41 +/- 1.17   0.054% *  0.8486% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   PRO   93  21.21 +/- 4.54   0.276% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   93  16.54 +/- 2.79   0.146% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   93  18.44 +/- 1.34   0.086% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   PRO   93  24.26 +/- 4.64   0.053% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3012 (1.69, 1.81, 24.81 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 3.96, residual support = 129.9:
      O T HG3   PRO   93 - HG2   PRO   93   1.75 +/- 0.00  88.934% * 74.0433% (0.95  10.0 10.00   3.97 132.40) =  98.117%  kept
          HB3   MET   92 - HG2   PRO   93   4.34 +/- 0.38   6.392% * 15.9294% (0.92   1.0  1.00   4.41   1.86) =   1.517%  kept
        T HD2   LYS+ 111 - HG2   PRO   93   9.45 +/- 4.05   2.828% *  8.6373% (0.98   1.0 10.00   0.23   0.02) =   0.364%  kept
        T QD    LYS+  65 - HG2   PRO   93  16.25 +/- 3.72   0.251% *  0.1743% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HG2   PRO   93  17.69 +/- 3.32   0.518% *  0.0627% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   PRO   93  21.37 +/- 1.46   0.051% *  0.6268% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   PRO   93  11.83 +/- 1.78   0.390% *  0.0475% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   PRO   93  24.84 +/- 3.21   0.040% *  0.3218% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   PRO   93  19.73 +/- 3.83   0.151% *  0.0755% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   PRO   93  16.27 +/- 3.41   0.269% *  0.0218% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   PRO   93  20.93 +/- 1.32   0.055% *  0.0443% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   PRO   93  17.16 +/- 3.00   0.121% *  0.0155% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3013 (3.33, 1.68, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.97, residual support = 132.4:
      O   HD3   PRO   93 - HG3   PRO   93   2.62 +/- 0.29  80.617% * 99.5358% (0.97  10.0   3.97 132.40) =  99.977%  kept
          QB    PHE   55 - HG3   PRO   93   9.19 +/- 3.79   7.835% *  0.1029% (1.00   1.0   0.02   0.02) =   0.010%
          HB3   CYS   53 - HG3   PRO   93   8.52 +/- 3.20   7.780% *  0.0861% (0.84   1.0   0.02   0.02) =   0.008%
          HB2   PHE   59 - HG3   PRO   93  11.52 +/- 3.19   2.069% *  0.0952% (0.92   1.0   0.02   0.02) =   0.002%
          HD2   ARG+  54 - HG3   PRO   93  12.78 +/- 3.58   1.404% *  0.0788% (0.76   1.0   0.02   0.02) =   0.001%
          HD3   PRO   68 - HG3   PRO   93  19.96 +/- 3.28   0.295% *  0.1011% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3014 (3.59, 1.68, 24.81 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 3.97, residual support = 132.4:
      O   HD2   PRO   93 - HG3   PRO   93   2.56 +/- 0.28  97.986% * 99.4436% (0.25  10.0   3.97 132.40) =  99.994%  kept
          HA    THR   77 - HG3   PRO   93  12.95 +/- 4.51   1.373% *  0.3681% (0.92   1.0   0.02   0.02) =   0.005%
          HA    LEU   31 - HG3   PRO   93  22.30 +/- 4.09   0.363% *  0.0888% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HG3   PRO   93  19.97 +/- 2.86   0.278% *  0.0994% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3017 (6.89, 1.68, 24.81 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - HG3   PRO   93  16.14 +/- 2.53 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.25 A violated in 20 structures by 11.88 A, eliminated.
    Peak unassigned.
 
    Peak 3018 (8.75, 3.58, 50.24 ppm):
    4 chemical-shift based assignments, quality = 0.685, support = 1.74, residual support = 3.67:
          HN    ALA  110 - HD2   PRO   93   8.08 +/- 3.11  46.653% * 74.8314% (0.71   2.00   4.52) =  80.585%  kept
          HN    PHE   45 - HD2   PRO   93   8.12 +/- 0.90  36.934% * 21.3258% (0.61   0.67   0.14) =  18.181%  kept
          HN    ASP-  44 - HD2   PRO   93  11.84 +/- 1.63  14.336% *  3.7091% (0.11   0.63   0.02) =   1.227%  kept
          HN    GLU-  25 - HD2   PRO   93  22.16 +/- 2.73   2.077% *  0.1337% (0.13   0.02   0.02) =   0.006%
    Distance limit 4.31 A violated in 14 structures by 2.20 A, kept.
 
    Peak 3019 (4.60, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.43, support = 0.02, residual support = 0.02:
          HA1   GLY  109 - HD2   PRO   93   8.85 +/- 3.24  37.937% * 14.0670% (0.38   0.02   0.02) =  36.286%  kept
          HA    CYS   50 - HD2   PRO   93   9.79 +/- 2.82  32.003% * 13.0143% (0.35   0.02   0.02) =  28.319%  kept
          HA    TRP   49 - HD2   PRO   93  12.40 +/- 2.70  16.328% * 18.3659% (0.50   0.02   0.02) =  20.390%  kept
          HA    CYS   21 - HD2   PRO   93  21.34 +/- 2.16   5.374% * 23.1925% (0.63   0.02   0.02) =   8.475%  kept
          HA    LYS+ 102 - HD2   PRO   93  22.95 +/- 1.04   2.587% * 26.6778% (0.72   0.02   0.02) =   4.693%  kept
          HA    ALA   20 - HD2   PRO   93  19.67 +/- 2.76   5.771% *  4.6825% (0.13   0.02   0.02) =   1.837%  kept
    Distance limit 4.27 A violated in 15 structures by 2.93 A, eliminated.
    Peak unassigned.
 
    Peak 3020 (1.43, 3.58, 50.24 ppm):
    13 chemical-shift based assignments, quality = 0.683, support = 1.94, residual support = 4.47:
          QB    ALA  110 - HD2   PRO   93   6.63 +/- 2.74  36.051% * 92.7998% (0.69   1.96   4.52) =  98.986%  kept
          QB    ALA   61 - HD2   PRO   93  12.57 +/- 2.76  10.130% *  0.9997% (0.72   0.02   0.02) =   0.300%  kept
          HG    LEU   73 - HD2   PRO   93  17.51 +/- 3.66   8.923% *  0.6077% (0.44   0.02   0.02) =   0.160%  kept
          HG    LEU   80 - HD2   PRO   93  16.68 +/- 3.87   3.492% *  0.9669% (0.70   0.02   0.02) =   0.100%
          HB3   LEU  115 - HD2   PRO   93  11.01 +/- 3.57  15.685% *  0.1755% (0.13   0.02   0.02) =   0.081%
          HB3   LEU   67 - HD2   PRO   93  19.65 +/- 2.84   2.764% *  0.9478% (0.69   0.02   0.02) =   0.078%
          HB2   LEU   80 - HD2   PRO   93  15.26 +/- 3.75   5.341% *  0.4877% (0.35   0.02   0.02) =   0.077%
          QG    LYS+  66 - HD2   PRO   93  18.11 +/- 3.03   2.881% *  0.8023% (0.58   0.02   0.02) =   0.068%
          HG12  ILE   19 - HD2   PRO   93  22.88 +/- 3.51   2.099% *  0.8985% (0.65   0.02   0.02) =   0.056%
          HG    LEU   40 - HD2   PRO   93  19.61 +/- 3.02   6.898% *  0.1755% (0.13   0.02   0.02) =   0.036%
          HB3   LYS+  74 - HD2   PRO   93  16.47 +/- 2.58   3.130% *  0.3092% (0.22   0.02   0.02) =   0.029%
          HD3   LYS+ 121 - HD2   PRO   93  19.93 +/- 3.06   1.809% *  0.3418% (0.25   0.02   0.02) =   0.018%
          HG2   LYS+ 102 - HD2   PRO   93  24.88 +/- 1.01   0.797% *  0.4877% (0.35   0.02   0.02) =   0.011%
    Distance limit 3.85 A violated in 14 structures by 2.41 A, kept.
 
    Peak 3021 (1.42, 3.34, 50.24 ppm):
    24 chemical-shift based assignments, quality = 0.404, support = 2.0, residual support = 11.6:
          HB3   LEU   67 - HD3   PRO   68   4.00 +/- 1.06  34.462% * 25.5463% (0.08   3.39  19.86) =  47.553%  kept
          QB    ALA  110 - HD3   PRO   93   6.75 +/- 2.63  15.239% * 56.6088% (0.78   0.75   4.52) =  46.596%  kept
          QG    LYS+  66 - HD3   PRO   68   5.21 +/- 1.44  23.979% *  3.9605% (0.05   0.83   0.02) =   5.130%  kept
          QB    ALA   61 - HD3   PRO   93  12.40 +/- 2.89   2.492% *  1.1258% (0.58   0.02   0.02) =   0.152%  kept
          HB2   LEU   80 - HD3   PRO   93  15.26 +/- 3.84   1.183% *  1.6462% (0.85   0.02   0.02) =   0.105%  kept
          HD3   LYS+ 121 - HD3   PRO   68  16.43 +/- 6.11   6.080% *  0.2587% (0.13   0.02   0.02) =   0.085%
          HG    LEU   80 - HD3   PRO   93  16.71 +/- 3.94   0.794% *  1.4536% (0.75   0.02   0.02) =   0.062%
          QB    ALA  110 - HD3   PRO   68  17.81 +/- 4.31   3.428% *  0.2687% (0.14   0.02   0.02) =   0.050%
          HB3   LYS+  74 - HD3   PRO   93  16.42 +/- 2.52   0.657% *  1.3935% (0.72   0.02   0.02) =   0.049%
          QB    ALA   61 - HD3   PRO   68   9.76 +/- 1.08   2.825% *  0.2004% (0.10   0.02   0.02) =   0.031%
          HD3   LYS+ 121 - HD3   PRO   93  20.15 +/- 2.97   0.389% *  1.4536% (0.75   0.02   0.02) =   0.031%
          QB    LEU   98 - HD3   PRO   93  16.94 +/- 0.95   0.490% *  0.9156% (0.47   0.02   0.02) =   0.024%
          HG12  ILE   19 - HD3   PRO   68  14.10 +/- 2.72   1.367% *  0.2859% (0.15   0.02   0.02) =   0.021%
          HB3   LYS+  74 - HD3   PRO   68  13.73 +/- 2.30   1.574% *  0.2480% (0.13   0.02   0.02) =   0.021%
          HG12  ILE   19 - HD3   PRO   93  22.92 +/- 3.43   0.236% *  1.6065% (0.83   0.02   0.02) =   0.020%
          HB3   LEU   67 - HD3   PRO   93  19.52 +/- 2.60   0.388% *  0.8471% (0.44   0.02   0.02) =   0.018%
          QG    LYS+  66 - HD3   PRO   93  17.93 +/- 3.01   0.555% *  0.5371% (0.28   0.02   0.02) =   0.016%
          QB    LEU   98 - HD3   PRO   68  16.23 +/- 4.07   1.076% *  0.1630% (0.08   0.02   0.02) =   0.009%
          HG    LEU   73 - HD3   PRO   93  17.49 +/- 3.50   0.523% *  0.3048% (0.16   0.02   0.02) =   0.009%
          HB2   LEU   80 - HD3   PRO   68  21.16 +/- 2.48   0.278% *  0.2930% (0.15   0.02   0.02) =   0.004%
          HG    LEU   80 - HD3   PRO   68  21.72 +/- 3.29   0.277% *  0.2587% (0.13   0.02   0.02) =   0.004%
          QB    ALA   12 - HD3   PRO   68  18.72 +/- 3.50   0.746% *  0.0861% (0.04   0.02   0.02) =   0.003%
          QB    ALA   12 - HD3   PRO   93  28.21 +/- 4.06   0.124% *  0.4839% (0.25   0.02   0.02) =   0.003%
          HG    LEU   73 - HD3   PRO   68  14.45 +/- 1.39   0.839% *  0.0542% (0.03   0.02   0.02) =   0.002%
    Distance limit 3.82 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3022 (0.65, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.285, support = 2.0, residual support = 5.5:
          QG2   ILE   89 - HB    THR   94   3.69 +/- 1.05 100.000% *100.0000% (0.28   2.00   5.50) = 100.000%  kept
    Distance limit 3.38 A violated in 2 structures by 0.55 A, kept.
 
    Peak 3023 (0.10, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.77, support = 2.0, residual support = 5.49:
          QD1   ILE   89 - HB    THR   94   3.37 +/- 1.15  86.146% * 98.9959% (0.77   2.00   5.50) =  99.896%  kept
          QG2   VAL   83 - HB    THR   94   8.30 +/- 1.51  10.954% *  0.7366% (0.57   0.02   0.02) =   0.095%
          QD2   LEU   31 - HB    THR   94  13.04 +/- 2.05   2.899% *  0.2674% (0.21   0.02   0.02) =   0.009%
    Distance limit 3.72 A violated in 1 structures by 0.36 A, kept.
 
    Peak 3024 (3.06, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 2.96, residual support = 27.3:
        T HB2   PHE   45 - HB    THR   94   2.88 +/- 0.60  96.575% * 99.8423% (0.81 10.00   2.96  27.35) =  99.997%  kept
          QE    LYS+ 111 - HB    THR   94  11.81 +/- 2.28   2.511% *  0.1032% (0.83  1.00   0.02   0.02) =   0.003%
          HB2   CYS   21 - HB    THR   94  16.65 +/- 2.47   0.914% *  0.0544% (0.44  1.00   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3025 (5.59, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.146, support = 0.02, residual support = 0.02:
          HA    LEU   73 - HB    THR   94  13.54 +/- 1.74 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 3.03 A violated in 20 structures by 10.52 A, eliminated.
    Peak unassigned.
 
    Peak 3026 (8.03, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.833, support = 3.08, residual support = 24.5:
      O   HN    THR   94 - HB    THR   94   2.85 +/- 0.29  95.764% * 99.8964% (0.83  10.0   3.08  24.54) =  99.998%  kept
          HN    GLU-  79 - HB    THR   94  11.89 +/- 2.77   1.976% *  0.0727% (0.61   1.0   0.02   0.02) =   0.002%
          HN    SER   85 - HB    THR   94  10.87 +/- 1.57   2.260% *  0.0309% (0.26   1.0   0.02   0.02) =   0.001%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3027 (8.74, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.804, support = 3.41, residual support = 27.0:
          HN    PHE   45 - HB    THR   94   3.84 +/- 0.58  89.443% * 90.5348% (0.81   3.45  27.35) =  98.781%  kept
          HN    ALA  110 - HB    THR   94   9.17 +/- 2.00  10.557% *  9.4652% (0.67   0.43   0.02) =   1.219%  kept
    Distance limit 4.28 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3028 (5.61, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - QG2   THR   94   5.70 +/- 0.83 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.54 A violated in 16 structures by 2.16 A, eliminated.
    Peak unassigned.
 
    Peak 3030 (9.88, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.32, residual support = 14.6:
          HN    PHE   95 - QG2   THR   94   2.52 +/- 0.40 100.000% *100.0000% (0.97   4.32  14.59) = 100.000%  kept
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3031 (4.33, 5.96, 55.53 ppm):
    6 chemical-shift based assignments, quality = 0.658, support = 0.02, residual support = 0.02:
          HA    TRP   87 - HA    PHE   95  11.63 +/- 1.05  25.957% * 25.3593% (0.76   0.02   0.02) =  36.958%  kept
          HA    LEU  104 - HA    PHE   95  12.04 +/- 0.62  21.971% * 27.7167% (0.84   0.02   0.02) =  34.190%  kept
          HA    PHE   59 - HA    PHE   95  11.19 +/- 3.06  33.584% *  8.2742% (0.25   0.02   0.02) =  15.602%  kept
          HA    ASP-  86 - HA    PHE   95  15.03 +/- 1.38  12.538% * 12.4539% (0.38   0.02   0.02) =   8.767%  kept
          HA    GLU-  14 - HA    PHE   95  23.97 +/- 3.14   3.516% * 14.8769% (0.45   0.02   0.02) =   2.937%  kept
          HA    ALA   12 - HA    PHE   95  27.79 +/- 3.95   2.434% * 11.3190% (0.34   0.02   0.02) =   1.547%  kept
    Distance limit 3.57 A violated in 20 structures by 5.42 A, eliminated.
    Peak unassigned.
 
    Peak 3032 (7.03, 5.96, 55.53 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.44, residual support = 73.4:
          QD    PHE   95 - HA    PHE   95   2.63 +/- 0.47  98.021% * 99.8140% (0.87   3.44  73.44) =  99.996%  kept
          HN    ALA   47 - HA    PHE   95  10.62 +/- 1.27   1.979% *  0.1860% (0.28   0.02   0.17) =   0.004%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3033 (9.33, 5.96, 55.53 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 3.99, residual support = 12.0:
      O   HN    MET   96 - HA    PHE   95   2.20 +/- 0.01  99.318% * 99.9753% (0.80  10.0   3.99  11.96) = 100.000%  kept
          HN    PHE   72 - HA    PHE   95  12.26 +/- 1.72   0.682% *  0.0247% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3034 (9.89, 5.96, 55.53 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.32, residual support = 73.4:
      O   HN    PHE   95 - HA    PHE   95   2.93 +/- 0.01 100.000% *100.0000% (0.53  10.0   4.32  73.44) = 100.000%  kept
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3035 (7.03, 3.20, 40.96 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 73.4:
      O   QD    PHE   95 - HB2   PHE   95   2.41 +/- 0.14  98.896% * 99.9680% (0.87  10.0   3.00  73.44) = 100.000%  kept
          HN    ALA   47 - HB2   PHE   95  11.89 +/- 1.77   1.104% *  0.0320% (0.28   1.0   0.02   0.17) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3036 (7.03, 2.54, 40.96 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.31, residual support = 73.4:
      O   QD    PHE   95 - HB3   PHE   95   2.57 +/- 0.20  98.359% * 99.9680% (0.87  10.0   3.31  73.44) =  99.999%  kept
          HN    ALA   47 - HB3   PHE   95  11.67 +/- 1.66   1.641% *  0.0320% (0.28   1.0   0.02   0.17) =   0.001%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3037 (9.89, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.19, residual support = 73.4:
      O   HN    PHE   95 - HB3   PHE   95   3.50 +/- 0.45 100.000% *100.0000% (0.53  10.0   4.19  73.44) = 100.000%  kept
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3038 (9.89, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 3.85, residual support = 73.4:
      O   HN    PHE   95 - HB2   PHE   95   2.74 +/- 0.36 100.000% *100.0000% (0.53  10.0   3.85  73.44) = 100.000%  kept
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3039 (1.14, 2.54, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.831, support = 2.08, residual support = 46.6:
          QG2   VAL  107 - HB3   PHE   95   3.69 +/- 0.87  68.699% * 91.3445% (0.84   2.09  46.96) =  99.298%  kept
          HG13  ILE  103 - HB3   PHE   95  10.03 +/- 1.12   4.724% *  5.8677% (0.38   0.30   0.02) =   0.439%  kept
          HG13  ILE  119 - HB3   PHE   95   9.96 +/- 4.04  15.641% *  0.4303% (0.41   0.02   0.02) =   0.106%  kept
          QB    ALA   20 - HB3   PHE   95  13.68 +/- 3.53   5.864% *  0.9387% (0.90   0.02   0.02) =   0.087%
          HG2   LYS+ 121 - HB3   PHE   95  13.88 +/- 5.43   3.852% *  1.0260% (0.98   0.02   0.02) =   0.063%
          HB3   LEU   31 - HB3   PHE   95  16.32 +/- 2.50   1.220% *  0.3928% (0.38   0.02   0.02) =   0.008%
    Distance limit 3.99 A violated in 0 structures by 0.17 A, kept.
 
    Peak 3040 (0.60, 2.54, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.713, support = 1.3, residual support = 4.0:
          QD2   LEU  115 - HB3   PHE   95   6.87 +/- 3.35  27.351% * 42.6917% (0.90   1.23   7.18) =  46.165%  kept
          QD1   LEU   63 - HB3   PHE   95   7.24 +/- 3.07  29.036% * 34.3067% (0.57   1.57   1.62) =  39.383%  kept
          QD1   LEU   73 - HB3   PHE   95  10.86 +/- 3.58  17.604% * 18.1330% (0.57   0.83   0.43) =  12.620%  kept
          QG2   ILE   89 - HB3   PHE   95   8.33 +/- 1.12  13.192% *  2.8240% (0.15   0.47   0.02) =   1.473%  kept
          QD1   LEU  104 - HB3   PHE   95   9.36 +/- 1.04   7.067% *  0.7718% (1.00   0.02   0.02) =   0.216%  kept
          QD2   LEU   80 - HB3   PHE   95  14.47 +/- 2.93   2.712% *  0.7124% (0.92   0.02   0.02) =   0.076%
          QG1   VAL   83 - HB3   PHE   95  13.21 +/- 2.00   3.037% *  0.5604% (0.73   0.02   0.02) =   0.067%
    Distance limit 3.75 A violated in 4 structures by 0.76 A, kept.
 
    Peak 3041 (0.38, 2.54, 40.96 ppm):
    4 chemical-shift based assignments, quality = 0.646, support = 0.736, residual support = 0.706:
          QG1   VAL   42 - HB3   PHE   95   5.04 +/- 2.23  55.459% * 35.4298% (0.65   0.75   0.92) =  67.838%  kept
          QB    ALA   47 - HB3   PHE   95  10.89 +/- 2.12  15.597% * 29.9797% (0.76   0.54   0.17) =  16.144%  kept
          QB    ALA   64 - HB3   PHE   95   9.35 +/- 2.07  13.385% * 34.1398% (0.53   0.89   0.36) =  15.776%  kept
          HG2   LYS+ 112 - HB3   PHE   95  11.76 +/- 3.15  15.559% *  0.4508% (0.31   0.02   0.18) =   0.242%  kept
    Distance limit 3.77 A violated in 7 structures by 1.01 A, kept.
 
    Peak 3042 (1.13, 3.20, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.34, support = 4.03, residual support = 46.9:
          QG2   VAL  107 - HB2   PHE   95   3.01 +/- 0.68  78.398% * 94.8584% (0.34   4.03  46.96) =  99.799%  kept
          HG13  ILE  119 - HB2   PHE   95  10.48 +/- 3.89   5.242% *  1.2364% (0.90   0.02   0.02) =   0.087%
          HD3   LYS+ 112 - HB2   PHE   95  11.95 +/- 3.12   7.491% *  0.3833% (0.28   0.02   0.18) =   0.039%
          QB    ALA   20 - HB2   PHE   95  14.57 +/- 3.48   1.565% *  1.2726% (0.92   0.02   0.02) =   0.027%
          HG2   LYS+ 121 - HB2   PHE   95  14.25 +/- 5.44   1.749% *  0.7805% (0.57   0.02   0.02) =   0.018%
          QG1   VAL   24 - HB2   PHE   95  15.38 +/- 3.14   4.716% *  0.2728% (0.20   0.02   0.02) =   0.017%
          HB3   LEU   31 - HB2   PHE   95  16.93 +/- 2.58   0.838% *  1.1959% (0.87   0.02   0.02) =   0.013%
    Distance limit 3.91 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3043 (2.40, 3.20, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.8, support = 4.24, residual support = 46.9:
        T HB    VAL  107 - HB2   PHE   95   2.43 +/- 0.43  86.589% * 99.0449% (0.80 10.00   4.24  46.96) =  99.937%  kept
          QE    LYS+ 112 - HB2   PHE   95  10.55 +/- 3.28   7.435% *  0.6876% (0.38  1.00   0.30   0.18) =   0.060%
          HB3   PHE   45 - HB2   PHE   95   7.66 +/- 1.26   4.438% *  0.0464% (0.38  1.00   0.02   1.89) =   0.002%
          QG    GLU-  79 - HB2   PHE   95  15.64 +/- 2.42   0.812% *  0.0850% (0.69  1.00   0.02   0.02) =   0.001%
          QG    GLN   32 - HB2   PHE   95  20.29 +/- 3.05   0.474% *  0.1170% (0.95  1.00   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HB2   PHE   95  18.11 +/- 0.87   0.252% *  0.0191% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3044 (0.10, 1.19, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.922, support = 0.748, residual support = 5.48:
          QD1   ILE   89 - QG2   THR   94   2.90 +/- 1.55  83.411% * 97.3666% (0.92   0.75   5.50) =  99.691%  kept
          QG2   VAL   83 - QG2   THR   94   7.39 +/- 1.42  10.968% *  1.9321% (0.69   0.02   0.02) =   0.260%  kept
          QD2   LEU   31 - QG2   THR   94  11.04 +/- 1.90   5.621% *  0.7014% (0.25   0.02   0.02) =   0.048%
    Distance limit 3.16 A violated in 3 structures by 0.58 A, kept.
 
    Peak 3045 (5.63, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.972, support = 1.07, residual support = 2.13:
        T HA    LYS+ 106 - HA    MET   96   2.87 +/- 0.78 100.000% *100.0000% (0.97 10.00   1.07   2.13) = 100.000%  kept
    Distance limit 3.38 A violated in 1 structures by 0.15 A, kept.
 
    Peak 3046 (8.40, 5.31, 54.03 ppm):
    3 chemical-shift based assignments, quality = 0.879, support = 6.07, residual support = 44.1:
      O   HN    PHE   97 - HA    MET   96   2.24 +/- 0.05  98.911% * 99.8692% (0.88  10.0   6.07  44.15) =  99.999%  kept
          HN    LEU  115 - HA    MET   96  12.25 +/- 1.94   0.698% *  0.0999% (0.88   1.0   0.02   0.14) =   0.001%
          HN    ASP- 113 - HA    MET   96  15.18 +/- 1.74   0.391% *  0.0310% (0.27   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3047 (9.31, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.634, support = 4.09, residual support = 115.4:
      O   HN    MET   96 - HA    MET   96   2.91 +/- 0.01 100.000% *100.0000% (0.63  10.0   4.09 115.40) = 100.000%  kept
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3048 (6.70, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 1.93, residual support = 7.83:
        T QE    PHE   45 - HB2   MET   96   4.98 +/- 2.52  63.720% * 98.2604% (0.49 10.00   1.93   7.86) =  99.632%  kept
        T HZ    PHE   72 - HB2   MET   96  11.98 +/- 2.81  12.339% *  1.5962% (0.76 10.00   0.02   0.02) =   0.313%  kept
          QD    PHE   72 - HB2   MET   96   9.61 +/- 1.77  23.941% *  0.1435% (0.69  1.00   0.02   0.02) =   0.055%
    Distance limit 3.86 A violated in 7 structures by 1.40 A, kept.
 
    Peak 3049 (8.39, 2.21, 36.87 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.07, residual support = 44.1:
          HN    PHE   97 - HB2   MET   96   4.29 +/- 0.31  93.193% * 99.4516% (0.92   6.07  44.15) =  99.987%  kept
          HN    LEU  115 - HB2   MET   96  13.87 +/- 1.27   3.033% *  0.3276% (0.92   0.02   0.14) =   0.011%
          HN    ASN   35 - HB2   MET   96  17.12 +/- 3.21   3.174% *  0.0480% (0.14   0.02   0.02) =   0.002%
          HN    ALA   12 - HB2   MET   96  27.80 +/- 4.25   0.599% *  0.1727% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.01 A violated in 0 structures by 0.32 A, kept.
 
    Peak 3050 (9.31, 2.21, 36.87 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 4.03, residual support = 115.4:
      O   HN    MET   96 - HB2   MET   96   2.62 +/- 0.26 100.000% *100.0000% (0.65  10.0   4.03 115.40) = 100.000%  kept
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3051 (6.72, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.773, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - HB3   MET   96  12.64 +/- 3.07  36.203% * 81.6578% (0.99   0.02   0.02) =  71.642%  kept
          QD    PHE   72 - HB3   MET   96  10.21 +/- 2.17  63.797% * 18.3422% (0.22   0.02   0.02) =  28.358%  kept
    Distance limit 3.71 A violated in 20 structures by 6.01 A, eliminated.
    Peak unassigned.
 
    Peak 3052 (9.31, 1.93, 36.87 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 3.97, residual support = 115.4:
      O   HN    MET   96 - HB3   MET   96   3.00 +/- 0.30 100.000% *100.0000% (0.65  10.0   3.97 115.40) = 100.000%  kept
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3053 (0.74, 2.21, 36.87 ppm):
    6 chemical-shift based assignments, quality = 0.756, support = 1.84, residual support = 13.4:
          QG1   VAL   43 - HB2   MET   96   3.51 +/- 2.20  59.444% * 64.3926% (0.73   2.00  15.29) =  87.588%  kept
          QG2   THR   46 - HB2   MET   96   9.20 +/- 2.39  15.994% * 32.7936% (0.98   0.75   0.14) =  12.002%  kept
          QG2   VAL   18 - HB2   MET   96  12.51 +/- 2.70  14.167% *  0.8186% (0.92   0.02   0.02) =   0.265%  kept
          QD2   LEU  104 - HB2   MET   96   8.68 +/- 1.06   4.419% *  0.7101% (0.80   0.02   0.02) =   0.072%
          QG1   VAL   41 - HB2   MET   96   9.62 +/- 2.70   4.834% *  0.4665% (0.53   0.02   0.02) =   0.052%
          QD1   ILE   19 - HB2   MET   96  13.89 +/- 1.89   1.141% *  0.8186% (0.92   0.02   0.02) =   0.021%
    Distance limit 4.02 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3054 (0.08, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.689, support = 1.49, residual support = 5.7:
          QD1   ILE   89 - HB2   MET   96   4.36 +/- 1.64  67.495% * 96.5403% (0.69   1.50   5.75) =  99.144%  kept
          QD2   LEU   31 - HB2   MET   96  10.14 +/- 2.31  19.462% *  1.7298% (0.92   0.02   0.02) =   0.512%  kept
          QG2   VAL   83 - HB2   MET   96   8.29 +/- 2.57  13.043% *  1.7298% (0.92   0.02   0.02) =   0.343%  kept
    Distance limit 3.97 A violated in 3 structures by 0.43 A, kept.
 
    Peak 3055 (0.10, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 1.5, residual support = 5.75:
        T QD1   ILE   89 - HB3   MET   96   4.56 +/- 1.59  82.684% * 99.9203% (0.69 10.00   1.50   5.75) =  99.983%  kept
          QG2   VAL   83 - HB3   MET   96   8.78 +/- 2.46  17.316% *  0.0797% (0.41  1.00   0.02   0.02) =   0.017%
    Distance limit 3.96 A violated in 4 structures by 0.87 A, kept.
 
    Peak 3056 (8.39, 2.61, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 5.59, residual support = 44.1:
          HN    PHE   97 - HG2   MET   96   2.99 +/- 0.48  92.245% * 99.1282% (0.92   5.59  44.15) =  99.989%  kept
          HN    LEU  115 - HB2   PRO   52  11.64 +/- 3.72   4.995% *  0.1041% (0.27   0.02   0.02) =   0.006%
          HN    LEU  115 - HG2   MET   96  14.50 +/- 1.60   1.026% *  0.3545% (0.92   0.02   0.14) =   0.004%
          HN    PHE   97 - HB2   PRO   52  19.68 +/- 3.20   0.503% *  0.1041% (0.27   0.02   0.02) =   0.001%
          HN    ASN   35 - HG2   MET   96  17.50 +/- 3.72   0.800% *  0.0520% (0.14   0.02   0.02) =   0.000%
          HN    ALA   12 - HG2   MET   96  28.56 +/- 4.44   0.174% *  0.1869% (0.49   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   PRO   52  37.02 +/- 4.60   0.075% *  0.0549% (0.14   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   PRO   52  29.64 +/- 3.94   0.182% *  0.0153% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3057 (8.40, 2.47, 32.67 ppm):
    3 chemical-shift based assignments, quality = 0.544, support = 5.91, residual support = 44.1:
          HN    PHE   97 - HG3   MET   96   3.96 +/- 0.56  96.215% * 99.5584% (0.54   5.91  44.15) =  99.990%  kept
          HN    LEU  115 - HG3   MET   96  14.39 +/- 1.62   2.410% *  0.3371% (0.54   0.02   0.14) =   0.008%
          HN    ASP- 113 - HG3   MET   96  17.19 +/- 1.95   1.374% *  0.1045% (0.17   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3058 (1.19, 2.61, 32.67 ppm):
    12 chemical-shift based assignments, quality = 0.618, support = 1.7, residual support = 4.89:
          HG13  ILE  103 - HG2   MET   96   3.99 +/- 1.58  43.547% * 27.6749% (0.25   2.11   6.68) =  49.861%  kept
          QG2   THR   94 - HG2   MET   96   5.65 +/- 0.67  17.630% * 68.1310% (0.99   1.31   3.14) =  49.696%  kept
          HB3   LYS+ 112 - HB2   PRO   52   9.84 +/- 4.50  14.338% *  0.3026% (0.29   0.02   0.02) =   0.180%  kept
          HD2   LYS+ 112 - HB2   PRO   52  10.13 +/- 4.42  10.747% *  0.2678% (0.25   0.02   0.02) =   0.119%  kept
          HD2   LYS+ 112 - HG2   MET   96  17.86 +/- 3.20   0.960% *  0.9117% (0.87   0.02   0.02) =   0.036%
          QG2   THR   94 - HB2   PRO   52  12.47 +/- 3.50   2.633% *  0.3060% (0.29   0.02   0.02) =   0.033%
          HB3   LYS+ 112 - HG2   MET   96  17.68 +/- 2.07   0.575% *  1.0303% (0.98   0.02   0.02) =   0.024%
          HB3   LEU   71 - HG2   MET   96  16.75 +/- 2.86   0.692% *  0.8416% (0.80   0.02   0.02) =   0.024%
          HG3   LYS+ 111 - HB2   PRO   52  11.63 +/- 5.12   7.352% *  0.0476% (0.05   0.02   0.02) =   0.014%
          HB3   LEU   71 - HB2   PRO   52  23.23 +/- 4.75   0.621% *  0.2472% (0.24   0.02   0.02) =   0.006%
          HG3   LYS+ 111 - HG2   MET   96  16.30 +/- 2.08   0.601% *  0.1622% (0.15   0.02   0.02) =   0.004%
          HG13  ILE  103 - HB2   PRO   52  22.74 +/- 3.87   0.305% *  0.0770% (0.07   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3059 (0.98, 2.61, 32.67 ppm):
    16 chemical-shift based assignments, quality = 0.919, support = 2.61, residual support = 6.62:
          QG2   ILE  103 - HG2   MET   96   3.81 +/- 1.13  43.568% * 72.1028% (1.00   2.82   6.68) =  83.973%  kept
          QD1   ILE  103 - HG2   MET   96   4.57 +/- 1.66  29.022% * 19.5013% (0.49   1.57   6.68) =  15.129%  kept
          QD2   LEU   40 - HG2   MET   96   9.77 +/- 3.92   4.971% *  5.8808% (0.95   0.24   0.02) =   0.781%  kept
          HB    VAL   75 - HG2   MET   96  11.92 +/- 2.88   5.006% *  0.1921% (0.38   0.02   0.02) =   0.026%
          QD1   LEU   67 - HG2   MET   96  13.07 +/- 2.85   1.843% *  0.4939% (0.97   0.02   0.02) =   0.024%
          HG3   LYS+  74 - HG2   MET   96  15.31 +/- 3.38   1.445% *  0.5073% (0.99   0.02   0.02) =   0.020%
          QD2   LEU   71 - HG2   MET   96  14.59 +/- 2.41   1.301% *  0.3104% (0.61   0.02   0.02) =   0.011%
          QD1   LEU   67 - HB2   PRO   52  16.48 +/- 2.74   1.794% *  0.1451% (0.28   0.02   0.02) =   0.007%
          HG3   LYS+  74 - HB2   PRO   52  18.07 +/- 4.35   1.232% *  0.1490% (0.29   0.02   0.02) =   0.005%
          QG2   ILE  119 - HG2   MET   96  14.92 +/- 2.74   1.149% *  0.1580% (0.31   0.02   0.02) =   0.005%
          QD2   LEU   40 - HB2   PRO   52  18.71 +/- 2.55   1.253% *  0.1422% (0.28   0.02   0.02) =   0.005%
          QG2   ILE  103 - HB2   PRO   52  18.63 +/- 3.10   1.091% *  0.1500% (0.29   0.02   0.02) =   0.004%
          QG2   ILE  119 - HB2   PRO   52  12.71 +/- 2.41   2.860% *  0.0464% (0.09   0.02   0.02) =   0.004%
          HB    VAL   75 - HB2   PRO   52  17.37 +/- 3.10   1.668% *  0.0564% (0.11   0.02   0.02) =   0.003%
          QD2   LEU   71 - HB2   PRO   52  19.35 +/- 3.86   0.820% *  0.0912% (0.18   0.02   0.02) =   0.002%
          QD1   ILE  103 - HB2   PRO   52  20.04 +/- 3.67   0.975% *  0.0732% (0.14   0.02   0.02) =   0.002%
    Distance limit 3.80 A violated in 1 structures by 0.25 A, kept.
 
    Peak 3060 (1.37, 2.47, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.375, support = 0.4, residual support = 0.875:
          HG    LEU   98 - HG3   MET   96   6.37 +/- 1.96  18.640% * 19.5941% (0.25   0.61   0.25) =  34.746%  kept
          HG3   LYS+ 106 - HG3   MET   96   3.80 +/- 1.49  41.228% *  8.8058% (0.61   0.11   2.13) =  34.539%  kept
          QB    LEU   98 - HG3   MET   96   5.29 +/- 1.34  21.208% *  9.8345% (0.14   0.56   0.25) =  19.843%  kept
          HG3   LYS+ 102 - HG3   MET   96  11.95 +/- 1.74   2.017% * 34.3329% (0.59   0.45   0.02) =   6.588%  kept
          HB3   PRO   93 - HG3   MET   96  12.39 +/- 1.30   1.542% * 15.9088% (0.34   0.36   0.02) =   2.334%  kept
          HB3   ASP-  44 - HG3   MET   96  10.17 +/- 1.42   3.013% *  2.3142% (0.12   0.15   0.02) =   0.663%  kept
          QB    ALA   84 - HG3   MET   96  10.18 +/- 2.37   6.191% *  0.8284% (0.32   0.02   0.02) =   0.488%  kept
          HB    VAL   42 - HG3   MET   96  10.03 +/- 2.81   2.913% *  1.4121% (0.54   0.02   0.02) =   0.391%  kept
          HB3   LEU   73 - HG3   MET   96  13.09 +/- 2.75   1.371% *  1.4894% (0.57   0.02   0.02) =   0.194%  kept
          HB2   LYS+ 112 - HG3   MET   96  17.46 +/- 2.31   0.490% *  1.5606% (0.60   0.02   0.02) =   0.073%
          HG3   LYS+  65 - HG3   MET   96  19.03 +/- 2.52   0.435% *  1.4121% (0.54   0.02   0.02) =   0.058%
          HG3   LYS+  33 - HG3   MET   96  18.34 +/- 2.49   0.420% *  1.3152% (0.51   0.02   0.02) =   0.053%
          QB    ALA   12 - HG3   MET   96  23.19 +/- 3.66   0.267% *  0.7059% (0.27   0.02   0.02) =   0.018%
          QB    ALA  124 - HG3   MET   96  20.95 +/- 3.02   0.265% *  0.4860% (0.19   0.02   0.02) =   0.012%
    Distance limit 3.93 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3061 (1.19, 2.47, 32.67 ppm):
    6 chemical-shift based assignments, quality = 0.436, support = 1.66, residual support = 4.43:
          QG2   THR   94 - HG3   MET   96   5.11 +/- 0.99  40.899% * 62.4942% (0.60  1.00   1.31   3.14) =  63.069%  kept
          HG13  ILE  103 - HG3   MET   96   4.58 +/- 1.56  54.406% * 27.2770% (0.15  1.00   2.27   6.68) =  36.619%  kept
        T HD2   LYS+ 112 - HG3   MET   96  17.67 +/- 3.75   1.259% *  8.3630% (0.53 10.00   0.02   0.02) =   0.260%  kept
          HB3   LEU   71 - HG3   MET   96  16.80 +/- 2.84   1.439% *  0.7720% (0.49  1.00   0.02   0.02) =   0.027%
          HB3   LYS+ 112 - HG3   MET   96  17.45 +/- 2.50   0.908% *  0.9450% (0.59  1.00   0.02   0.02) =   0.021%
          HG3   LYS+ 111 - HG3   MET   96  16.00 +/- 2.29   1.089% *  0.1488% (0.09  1.00   0.02   0.02) =   0.004%
    Distance limit 3.80 A violated in 0 structures by 0.22 A, kept.
 
    Peak 3062 (0.98, 2.47, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.548, support = 2.42, residual support = 6.6:
          QG2   ILE  103 - HG3   MET   96   4.54 +/- 1.09  41.547% * 73.1051% (0.61   2.67   6.68) =  80.985%  kept
          QD1   ILE  103 - HG3   MET   96   4.97 +/- 1.76  35.722% * 18.8155% (0.30   1.41   6.68) =  17.921%  kept
          QD2   LEU   40 - HG3   MET   96  10.08 +/- 3.68   5.628% *  6.2996% (0.57   0.24   0.02) =   0.945%  kept
          HB    VAL   75 - HG3   MET   96  11.59 +/- 2.97   7.503% *  0.2058% (0.23   0.02   0.02) =   0.041%
          QD1   LEU   67 - HG3   MET   96  13.19 +/- 2.85   2.829% *  0.5291% (0.59   0.02   0.02) =   0.040%
          HG3   LYS+  74 - HG3   MET   96  15.20 +/- 3.35   2.563% *  0.5434% (0.60   0.02   0.02) =   0.037%
          QD2   LEU   71 - HG3   MET   96  14.65 +/- 2.43   2.517% *  0.3325% (0.37   0.02   0.02) =   0.022%
          QG2   ILE  119 - HG3   MET   96  15.09 +/- 2.20   1.692% *  0.1692% (0.19   0.02   0.02) =   0.008%
    Distance limit 3.86 A violated in 2 structures by 0.51 A, kept.
 
    Peak 3063 (9.70, 5.36, 56.63 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.34, residual support = 10.6:
      O   HN    LEU   98 - HA    PHE   97   2.22 +/- 0.06 100.000% *100.0000% (0.80  10.0   3.34  10.63) = 100.000%  kept
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3064 (8.40, 5.36, 56.63 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.7, residual support = 62.2:
      O   HN    PHE   97 - HA    PHE   97   2.92 +/- 0.01  98.519% * 99.8692% (0.90  10.0   4.70  62.20) =  99.999%  kept
          HN    LEU  115 - HA    PHE   97  14.53 +/- 2.44   0.948% *  0.0999% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HA    PHE   97  17.73 +/- 2.24   0.533% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3065 (7.15, 2.99, 40.60 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 2.44, residual support = 62.2:
      O T QD    PHE   97 - HB2   PHE   97   2.51 +/- 0.15  98.122% * 99.9164% (0.45  10.0 10.00   2.44  62.20) =  99.998%  kept
          HZ3   TRP   87 - HB2   PHE   97  11.98 +/- 3.66   1.878% *  0.0836% (0.38   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3066 (7.80, 2.99, 40.60 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 7.79, residual support = 60.5:
          HN    ASP- 105 - HB2   PHE   97   2.08 +/- 0.42  99.109% * 99.8982% (0.95   7.79  60.54) =  99.999%  kept
          HN    ALA   88 - HB2   PHE   97  15.85 +/- 2.33   0.891% *  0.1018% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3067 (8.40, 2.99, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.81, residual support = 62.2:
      O   HN    PHE   97 - HB2   PHE   97   2.82 +/- 0.58  98.294% * 99.8692% (0.90  10.0   4.81  62.20) =  99.999%  kept
          HN    LEU  115 - HB2   PHE   97  13.93 +/- 3.06   1.150% *  0.0999% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HB2   PHE   97  17.05 +/- 2.55   0.555% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3068 (1.86, 2.99, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.951, support = 3.48, residual support = 50.0:
        T HB3   ASP- 105 - HB2   PHE   97   3.02 +/- 0.67  53.028% * 52.3863% (0.99 10.00   3.84  60.54) =  78.799%  kept
        T QB    LYS+ 106 - HB2   PHE   97   5.54 +/- 0.93  16.108% * 42.3222% (0.80 10.00   2.21  11.55) =  19.338%  kept
          HB    ILE  103 - HB2   PHE   97   6.25 +/- 1.16  14.573% *  3.5264% (1.00  1.00   1.33   3.41) =   1.458%  kept
          HG12  ILE  103 - HB2   PHE   97   5.72 +/- 0.78   9.771% *  1.4415% (0.20  1.00   2.76   3.41) =   0.400%  kept
          QB    LYS+  81 - HB2   PHE   97  18.62 +/- 3.55   2.181% *  0.0441% (0.84  1.00   0.02   0.02) =   0.003%
          HG3   PRO   68 - HB2   PHE   97  16.97 +/- 5.72   0.721% *  0.0527% (1.00  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HB2   PHE   97  17.46 +/- 5.75   0.949% *  0.0217% (0.41  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HB2   PHE   97  16.95 +/- 2.52   0.395% *  0.0500% (0.95  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HB2   PHE   97  17.79 +/- 1.90   0.408% *  0.0474% (0.90  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HB2   PHE   97  16.84 +/- 3.53   0.627% *  0.0198% (0.38  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PHE   97  21.74 +/- 2.99   0.233% *  0.0527% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PHE   97  17.07 +/- 5.07   0.764% *  0.0132% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   PHE   97  21.27 +/- 2.62   0.242% *  0.0217% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3069 (1.01, 2.99, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.303, support = 4.55, residual support = 15.3:
        T HB2   LEU  104 - HB2   PHE   97   3.12 +/- 0.84  44.113% * 81.4445% (0.31 10.00   4.70  16.99) =  87.578%  kept
          QG2   ILE  103 - HB2   PHE   97   3.56 +/- 0.67  34.256% * 12.7293% (0.25  1.00   3.87   3.41) =  10.630%  kept
          QD2   LEU   40 - HB2   PHE   97   7.97 +/- 4.81  13.921% *  5.2281% (0.38  1.00   1.06   0.72) =   1.774%  kept
          QD1   LEU   67 - HB2   PHE   97  11.89 +/- 3.58   2.739% *  0.0900% (0.34  1.00   0.02   0.02) =   0.006%
          QD1   ILE  119 - HB2   PHE   97  12.46 +/- 3.70   1.286% *  0.1600% (0.61  1.00   0.02   0.57) =   0.005%
          HB    VAL   75 - HB2   PHE   97  13.34 +/- 2.24   0.592% *  0.2496% (0.95  1.00   0.02   0.02) =   0.004%
          QG2   VAL  108 - HB2   PHE   97   8.88 +/- 0.99   2.351% *  0.0522% (0.20  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  74 - HB2   PHE   97  15.99 +/- 4.03   0.742% *  0.0462% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3070 (1.01, 2.36, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.306, support = 2.15, residual support = 8.23:
          HB2   LEU  104 - HB3   PHE   97   3.26 +/- 1.06  43.421% * 22.3113% (0.29  1.00   3.25  16.99) =  43.107%  kept
        T QD2   LEU   40 - HB3   PHE   97   7.55 +/- 4.98  13.755% * 62.6765% (0.36 10.00   0.75   0.72) =  38.360%  kept
          QG2   ILE  103 - HB3   PHE   97   4.03 +/- 0.67  29.602% * 14.0027% (0.24  1.00   2.52   3.41) =  18.444%  kept
          QD1   LEU   67 - HB3   PHE   97  11.58 +/- 3.54   3.368% *  0.1519% (0.32  1.00   0.02   0.02) =   0.023%
          HB    VAL   75 - HB3   PHE   97  13.00 +/- 2.10   1.184% *  0.4213% (0.89  1.00   0.02   0.02) =   0.022%
          QD1   ILE  119 - HB3   PHE   97  12.35 +/- 3.57   1.494% *  0.2701% (0.57  1.00   0.02   0.57) =   0.018%
          QG2   VAL  108 - HB3   PHE   97   9.13 +/- 1.35   4.234% *  0.0881% (0.19  1.00   0.02   0.02) =   0.017%
          HG3   LYS+  74 - HB3   PHE   97  15.61 +/- 4.27   2.942% *  0.0780% (0.17  1.00   0.02   0.02) =   0.010%
    Distance limit 3.49 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3071 (7.13, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 2.74, residual support = 62.2:
      O T QD    PHE   97 - HB3   PHE   97   2.41 +/- 0.15  98.203% * 99.8821% (0.87  10.0 10.00   2.74  62.20) =  99.998%  kept
          HZ3   TRP   87 - HB3   PHE   97  12.13 +/- 3.40   1.577% *  0.0939% (0.82   1.0  1.00   0.02   0.02) =   0.002%
          HE3   TRP   49 - HB3   PHE   97  23.08 +/- 4.11   0.220% *  0.0241% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3072 (7.82, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.46, support = 5.65, residual support = 60.5:
          HN    ASP- 105 - HB3   PHE   97   2.67 +/- 0.71  98.780% * 99.1045% (0.46   5.65  60.54) =  99.994%  kept
          HN    ALA   88 - HB3   PHE   97  16.04 +/- 2.02   0.706% *  0.6251% (0.82   0.02   0.02) =   0.005%
          HN    PHE   55 - HB3   PHE   97  19.74 +/- 2.80   0.515% *  0.2704% (0.36   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3073 (8.40, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.16, residual support = 62.2:
      O   HN    PHE   97 - HB3   PHE   97   3.08 +/- 0.59  97.864% * 99.8692% (0.85  10.0   5.16  62.20) =  99.998%  kept
          HN    LEU  115 - HB3   PHE   97  13.96 +/- 2.95   1.390% *  0.0999% (0.85   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HB3   PHE   97  17.12 +/- 2.44   0.746% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3074 (1.87, 2.36, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.754, support = 2.0, residual support = 46.2:
          HB3   ASP- 105 - HB3   PHE   97   3.46 +/- 0.83  57.009% * 41.1213% (0.72  1.00   2.25  60.54) =  72.184%  kept
          QB    LYS+ 106 - HB3   PHE   97   5.87 +/- 1.44  19.816% * 30.8112% (0.93  1.00   1.31  11.55) =  18.800%  kept
          HB    ILE  103 - HB3   PHE   97   6.71 +/- 1.05  12.056% * 23.8328% (0.65  1.00   1.45   3.41) =   8.847%  kept
        T HB3   PRO   58 - HB3   PHE   97  17.50 +/- 4.26   2.172% *  1.0653% (0.21 10.00   0.02   0.02) =   0.071%
          HG3   PRO   68 - HB3   PHE   97  16.47 +/- 5.77   1.979% *  0.3095% (0.61  1.00   0.02   0.02) =   0.019%
          HB    ILE   56 - HB3   PHE   97  16.62 +/- 3.61   1.358% *  0.4151% (0.82  1.00   0.02   0.02) =   0.017%
          HB3   LYS+  38 - HB3   PHE   97  16.74 +/- 5.20   1.577% *  0.3475% (0.69  1.00   0.02   0.02) =   0.017%
          QB    LYS+  81 - HB3   PHE   97  18.60 +/- 3.40   0.966% *  0.4618% (0.91  1.00   0.02   0.02) =   0.014%
          QB    LYS+  33 - HB3   PHE   97  16.73 +/- 2.55   0.698% *  0.4151% (0.82  1.00   0.02   0.02) =   0.009%
          HB3   GLN   90 - HB3   PHE   97  17.92 +/- 1.72   0.571% *  0.4417% (0.87  1.00   0.02   0.02) =   0.008%
          HB3   GLN   30 - HB3   PHE   97  15.74 +/- 2.73   0.924% *  0.2517% (0.50  1.00   0.02   0.02) =   0.007%
          HG2   ARG+  54 - HB3   PHE   97  21.50 +/- 3.43   0.404% *  0.3475% (0.69  1.00   0.02   0.02) =   0.004%
          HB2   MET   92 - HB3   PHE   97  17.97 +/- 1.34   0.469% *  0.1796% (0.36  1.00   0.02   0.02) =   0.003%
    Distance limit 4.07 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3075 (1.80, 5.51, 53.84 ppm):
    8 chemical-shift based assignments, quality = 0.341, support = 4.22, residual support = 29.0:
          HG12  ILE  103 - HA    LEU   98   3.43 +/- 1.15  59.620% * 57.5336% (0.25   4.95  33.40) =  82.990%  kept
          QB    LYS+ 102 - HA    LEU   98   5.43 +/- 0.58  23.571% * 20.4289% (0.98   0.45   2.17) =  11.650%  kept
          HB    VAL   41 - HA    LEU   98   9.44 +/- 5.29  11.905% * 18.3046% (0.38   1.05  20.04) =   5.272%  kept
          HB2   LEU   71 - HA    LEU   98  15.50 +/- 4.67   1.425% *  0.9298% (1.00   0.02   0.02) =   0.032%
          HB3   GLN   17 - HA    LEU   98  18.97 +/- 5.33   1.615% *  0.5652% (0.61   0.02   0.02) =   0.022%
          QB    LYS+  65 - HA    LEU   98  17.49 +/- 2.21   0.654% *  0.9319% (1.00   0.02   0.02) =   0.015%
          QB    LYS+  66 - HA    LEU   98  17.37 +/- 3.37   0.773% *  0.5276% (0.57   0.02   0.02) =   0.010%
          HG2   PRO   93 - HA    LEU   98  18.67 +/- 1.03   0.436% *  0.7784% (0.84   0.02   0.02) =   0.008%
    Distance limit 3.95 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3076 (4.29, 5.51, 53.84 ppm):
    12 chemical-shift based assignments, quality = 0.678, support = 2.94, residual support = 31.0:
          HA    ILE  103 - HA    LEU   98   2.36 +/- 1.38  71.904% * 70.1755% (0.73   2.96  33.40) =  89.346%  kept
          HA    LEU  104 - HA    LEU   98   5.02 +/- 0.59  23.415% * 25.6120% (0.28   2.82  11.02) =  10.619%  kept
          HA    ASP-  44 - HA    LEU   98  12.28 +/- 1.56   1.100% *  0.5862% (0.90   0.02   0.02) =   0.011%
          HA    ASP-  86 - HA    LEU   98  16.51 +/- 3.45   0.762% *  0.4746% (0.73   0.02   0.02) =   0.006%
          HB    THR   77 - HA    LEU   98  18.33 +/- 3.39   0.542% *  0.5459% (0.84   0.02   0.02) =   0.005%
          HA    SER   85 - HA    LEU   98  17.57 +/- 3.25   0.432% *  0.5459% (0.84   0.02   0.02) =   0.004%
          HA    GLU-  79 - HA    LEU   98  19.49 +/- 5.31   0.786% *  0.2230% (0.34   0.02   0.02) =   0.003%
          HA    THR   39 - HA    LEU   98  14.12 +/- 6.10   0.602% *  0.1817% (0.28   0.02   0.02) =   0.002%
          HA    GLU-  14 - HA    LEU   98  22.78 +/- 4.83   0.160% *  0.4228% (0.65   0.02   0.02) =   0.001%
          HA    ALA   12 - HA    LEU   98  26.04 +/- 5.63   0.121% *  0.4995% (0.76   0.02   0.02) =   0.001%
          HA    MET   11 - HA    LEU   98  28.40 +/- 5.31   0.068% *  0.6034% (0.92   0.02   0.02) =   0.001%
          HA1   GLY   51 - HA    LEU   98  25.74 +/- 3.05   0.107% *  0.1293% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3077 (7.80, 5.51, 53.84 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.03, residual support = 6.15:
          HN    ASP- 105 - HA    LEU   98   4.71 +/- 0.41  96.297% * 99.8037% (0.95   4.03   6.15) =  99.992%  kept
          HN    ALA   88 - HA    LEU   98  15.42 +/- 2.56   3.703% *  0.1963% (0.38   0.02   0.02) =   0.008%
    Distance limit 3.99 A violated in 1 structures by 0.71 A, kept.
 
    Peak 3078 (8.34, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.37, residual support = 18.6:
      O   HN    LYS+  99 - HA    LEU   98   2.29 +/- 0.06  97.368% * 99.7964% (0.80  10.0   4.37  18.55) =  99.998%  kept
          HE1   HIS  122 - HA    LEU   98  16.72 +/- 7.58   1.443% *  0.0905% (0.73   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HA    LEU   98  22.63 +/- 5.09   0.652% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    LEU   98  15.33 +/- 4.94   0.537% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3079 (9.38, 5.51, 53.84 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 3.72, residual support = 11.0:
          HN    LEU  104 - HA    LEU   98   3.10 +/- 0.77  98.590% * 99.6484% (0.92   3.72  11.02) =  99.995%  kept
          HN    PHE   72 - HA    LEU   98  14.69 +/- 3.18   1.410% *  0.3516% (0.61   0.02   0.02) =   0.005%
    Distance limit 3.46 A violated in 1 structures by 0.18 A, kept.
 
    Peak 3080 (9.69, 5.51, 53.84 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.97, residual support = 76.6:
      O   HN    LEU   98 - HA    LEU   98   2.91 +/- 0.03 100.000% *100.0000% (0.98  10.0   4.97  76.63) = 100.000%  kept
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3081 (1.84, 1.41, 47.50 ppm):
    13 chemical-shift based assignments, quality = 0.486, support = 3.16, residual support = 25.8:
        T HB    VAL   41 - QB    LEU   98   7.24 +/- 4.82  18.876% * 64.4148% (0.42 10.00   2.74  20.04) =  54.542%  kept
          HG12  ILE  103 - QB    LEU   98   2.70 +/- 0.85  47.634% * 17.1407% (0.56  1.00   4.00  33.40) =  36.624%  kept
          HB    ILE  103 - QB    LEU   98   4.62 +/- 0.80  16.350% * 10.8873% (0.60  1.00   2.40  33.40) =   7.985%  kept
        T QB    LYS+ 106 - QB    LEU   98   7.19 +/- 0.80   3.134% *  4.2378% (0.27 10.00   0.21   0.02) =   0.596%  kept
          HB3   ASP- 105 - QB    LEU   98   7.78 +/- 0.53   2.171% *  2.1158% (0.53  1.00   0.53   6.15) =   0.206%  kept
        T QB    LYS+  33 - QB    LEU   98  12.87 +/- 2.92   0.777% *  0.6441% (0.42 10.00   0.02   0.02) =   0.022%
          QB    LYS+  81 - QB    LEU   98  15.28 +/- 4.05   9.604% *  0.0451% (0.30  1.00   0.02   0.02) =   0.019%
          HG3   PRO   68 - QB    LEU   98  17.00 +/- 4.63   0.297% *  0.0961% (0.63  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - QB    LEU   98  19.42 +/- 3.86   0.178% *  0.1187% (0.78  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QB    LEU   98  15.88 +/- 1.61   0.302% *  0.0544% (0.36  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QB    LEU   98  15.57 +/- 2.78   0.373% *  0.0408% (0.27  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - QB    LEU   98  21.45 +/- 2.11   0.127% *  0.1187% (0.78  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QB    LEU   98  21.79 +/- 3.02   0.175% *  0.0856% (0.56  1.00   0.02   0.02) =   0.001%
    Distance limit 2.94 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3082 (8.35, 1.41, 47.50 ppm):
    5 chemical-shift based assignments, quality = 0.268, support = 4.0, residual support = 18.5:
          HN    LYS+  99 - QB    LEU   98   3.22 +/- 0.33  90.659% * 97.4527% (0.27   4.00  18.55) =  99.934%  kept
          HN    ASN   35 - QB    LEU   98  12.78 +/- 4.49   2.759% *  1.3181% (0.72   0.02   0.02) =   0.041%
          HE1   HIS  122 - QB    LEU   98  15.53 +/- 6.00   2.350% *  0.3935% (0.22   0.02   0.02) =   0.010%
          HN    GLU-  14 - QB    LEU   98  19.40 +/- 4.47   3.520% *  0.2435% (0.13   0.02   0.02) =   0.010%
          HN    ALA   12 - QB    LEU   98  23.14 +/- 4.48   0.712% *  0.5922% (0.33   0.02   0.02) =   0.005%
    Distance limit 3.53 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3083 (9.02, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 2.4, residual support = 20.0:
          HN    VAL   41 - QB    LEU   98   7.70 +/- 5.22 100.000% *100.0000% (0.85   2.40  20.04) = 100.000%  kept
    Distance limit 4.06 A violated in 9 structures by 3.77 A, kept.
 
    Peak 3084 (9.69, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 4.83, residual support = 76.6:
      O   HN    LEU   98 - QB    LEU   98   2.73 +/- 0.34 100.000% *100.0000% (0.85  10.0   4.83  76.63) = 100.000%  kept
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3085 (5.52, 1.35, 27.95 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 4.04, residual support = 76.6:
      O   HA    LEU   98 - HG    LEU   98   3.16 +/- 0.41 100.000% *100.0000% (0.69  10.0   4.04  76.63) = 100.000%  kept
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3086 (9.69, 1.35, 27.95 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.68, residual support = 76.6:
          HN    LEU   98 - HG    LEU   98   3.63 +/- 0.72 100.000% *100.0000% (0.98   3.68  76.63) = 100.000%  kept
    Distance limit 3.80 A violated in 0 structures by 0.20 A, kept.
 
    Peak 3087 (4.31, 0.71, 25.69 ppm):
    9 chemical-shift based assignments, quality = 0.412, support = 3.51, residual support = 26.3:
        T HA    ILE  103 - QD1   LEU   98   2.94 +/- 0.62  74.167% * 25.9436% (0.25 10.00   4.28  33.40) =  68.308%  kept
        T HA    LEU  104 - QD1   LEU   98   6.18 +/- 0.73  12.119% * 73.5853% (0.76 10.00   1.85  11.02) =  31.659%  kept
          HA    GLU-  14 - QD1   LEU   98  18.78 +/- 4.45   2.532% *  0.1038% (1.00  1.00   0.02   0.02) =   0.009%
          HA    ASP-  86 - QD1   LEU   98  12.04 +/- 2.90   2.017% *  0.1038% (1.00  1.00   0.02   0.02) =   0.007%
          HA    ASP-  44 - QD1   LEU   98  10.13 +/- 2.17   4.267% *  0.0428% (0.41  1.00   0.02   0.02) =   0.006%
          HA    ALA   12 - QD1   LEU   98  21.40 +/- 4.81   1.432% *  0.1031% (0.99  1.00   0.02   0.02) =   0.005%
          HB    THR   77 - QD1   LEU   98  14.42 +/- 3.02   1.566% *  0.0355% (0.34  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - QD1   LEU   98  13.23 +/- 2.37   1.301% *  0.0355% (0.34  1.00   0.02   0.02) =   0.002%
          HA    MET   11 - QD1   LEU   98  23.32 +/- 4.51   0.600% *  0.0466% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 3.19 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3088 (7.20, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 0.742, support = 0.02, residual support = 0.02:
          HD1   TRP   27 - QD1   LEU   98  11.58 +/- 3.84  35.818% * 33.8723% (0.84   0.02   0.02) =  44.067%  kept
          QD    PHE   59 - QD1   LEU   98  13.41 +/- 2.51  26.378% * 33.8723% (0.84   0.02   0.02) =  32.453%  kept
          HE21  GLN   30 - QD1   LEU   98  12.97 +/- 2.87  23.991% * 19.7390% (0.49   0.02   0.02) =  17.201%  kept
          HH2   TRP   49 - QD1   LEU   98  19.84 +/- 4.34  13.813% * 12.5164% (0.31   0.02   0.02) =   6.280%  kept
    Distance limit 3.62 A violated in 20 structures by 5.74 A, eliminated.
    Peak unassigned.
 
    Peak 3089 (0.61, 1.77, 37.34 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 3.33, residual support = 18.7:
        T QD1   LEU  104 - HB2   LYS+  99   2.49 +/- 0.59  93.038% * 98.4796% (0.69 10.00   3.33  18.67) =  99.982%  kept
        T QD1   LEU   63 - HB2   LYS+  99  12.63 +/- 3.62   2.722% *  0.2212% (0.15 10.00   0.02   0.02) =   0.007%
        T QG2   ILE   89 - HB2   LYS+  99  15.17 +/- 1.38   0.617% *  0.8117% (0.57 10.00   0.02   0.02) =   0.005%
        T QD1   LEU   73 - HB2   LYS+  99  12.50 +/- 3.21   1.474% *  0.2212% (0.15 10.00   0.02   0.02) =   0.004%
          QG1   VAL   83 - HB2   LYS+  99  15.58 +/- 3.71   0.696% *  0.1430% (1.00  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB2   LYS+  99  15.43 +/- 2.98   0.892% *  0.0589% (0.41  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB2   LYS+  99  17.64 +/- 4.04   0.562% *  0.0643% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3090 (0.98, 1.77, 37.34 ppm):
    8 chemical-shift based assignments, quality = 0.944, support = 2.09, residual support = 7.72:
        T QD2   LEU   40 - HB2   LYS+  99   7.45 +/- 6.90  37.938% * 91.1143% (0.95 10.00   2.13   8.09) =  94.891%  kept
          QG2   ILE  103 - HB2   LYS+  99   6.41 +/- 0.94  22.363% *  6.9236% (1.00  1.00   1.44   0.73) =   4.250%  kept
          QD1   ILE  103 - HB2   LYS+  99   7.19 +/- 1.28  17.863% *  1.6494% (0.49  1.00   0.70   0.73) =   0.809%  kept
          HG3   LYS+  74 - HB2   LYS+  99  18.03 +/- 4.29  10.590% *  0.0955% (0.99  1.00   0.02   0.02) =   0.028%
          QD1   LEU   67 - HB2   LYS+  99  13.07 +/- 4.36   6.588% *  0.0930% (0.97  1.00   0.02   0.02) =   0.017%
          QD2   LEU   71 - HB2   LYS+  99  13.54 +/- 4.53   1.645% *  0.0584% (0.61  1.00   0.02   0.02) =   0.003%
          HB    VAL   75 - HB2   LYS+  99  15.91 +/- 2.37   1.431% *  0.0361% (0.38  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HB2   LYS+  99  16.17 +/- 4.42   1.581% *  0.0297% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 3 structures by 0.48 A, kept.
 
    Peak 3091 (8.35, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 4.82, residual support = 175.1:
      O   HN    LYS+  99 - HB2   LYS+  99   3.12 +/- 0.31  88.421% * 99.4797% (0.31  10.0   4.82 175.13) =  99.986%  kept
          HE1   HIS  122 - HB2   LYS+  99  16.27 +/- 8.63   8.367% *  0.0804% (0.25   1.0   0.02   0.02) =   0.008%
          HN    ASN   35 - HB2   LYS+  99  14.42 +/- 5.82   1.759% *  0.2692% (0.84   1.0   0.02   0.02) =   0.005%
          HN    ALA   12 - HB2   LYS+  99  25.71 +/- 6.38   0.435% *  0.1210% (0.38   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HB2   LYS+  99  21.54 +/- 5.94   1.019% *  0.0497% (0.15   1.0   0.02   0.02) =   0.001%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3092 (8.34, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.26, residual support = 175.1:
      O   HN    LYS+  99 - HA    LYS+  99   2.91 +/- 0.02  90.079% * 99.7964% (0.80  10.0   5.26 175.13) =  99.992%  kept
          HN    GLU-  14 - HA    LYS+  99  20.16 +/- 6.11   4.563% *  0.0706% (0.57   1.0   0.02   0.02) =   0.004%
          HE1   HIS  122 - HA    LYS+  99  17.19 +/- 8.03   2.897% *  0.0905% (0.73   1.0   0.02   0.02) =   0.003%
          HN    ASN   35 - HA    LYS+  99  12.68 +/- 5.96   2.461% *  0.0425% (0.34   1.0   0.02   0.02) =   0.001%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3093 (10.12, 4.38, 58.15 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.83, residual support = 38.5:
      O   HN    GLU- 100 - HA    LYS+  99   2.23 +/- 0.06 100.000% *100.0000% (0.84  10.0   6.83  38.54) = 100.000%  kept
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3095 (3.01, 1.33, 26.01 ppm):
    10 chemical-shift based assignments, quality = 0.834, support = 5.2, residual support = 184.7:
      O   QE    LYS+  99 - HG2   LYS+  99   2.61 +/- 0.48  44.831% * 79.1619% (0.99  10.0   5.37 175.13) =  78.526%  kept
      O   QE    LYS+  38 - HG2   LYS+  38   2.55 +/- 0.44  47.116% * 20.5905% (0.26  10.0   4.58 219.76) =  21.466%  kept
          QE    LYS+  38 - HG2   LYS+  99  12.16 +/- 7.82   2.407% *  0.0756% (0.95   1.0   0.02   0.02) =   0.004%
          QE    LYS+ 102 - HG2   LYS+  99   8.70 +/- 1.08   1.467% *  0.0610% (0.76   1.0   0.02   1.59) =   0.002%
          HB2   PHE   97 - HG2   LYS+  99   8.96 +/- 0.84   1.290% *  0.0272% (0.34   1.0   0.02   0.02) =   0.001%
          QE    LYS+  99 - HG2   LYS+  38  12.51 +/- 7.69   1.589% *  0.0216% (0.27   1.0   0.02   0.02) =   0.001%
          HB3   TRP   27 - HG2   LYS+  99  16.51 +/- 4.16   0.379% *  0.0300% (0.38   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  38  17.14 +/- 7.47   0.412% *  0.0166% (0.21   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  38  15.70 +/- 2.59   0.319% *  0.0082% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  38  17.90 +/- 4.46   0.189% *  0.0074% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3096 (4.38, 1.33, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.834, support = 7.03, residual support = 174.8:
      O T HA    LYS+  99 - HG2   LYS+  99   2.93 +/- 0.46  46.595% * 98.1935% (0.84  10.0 10.00   7.05 175.13) =  99.774%  kept
          HA    LEU   40 - HG2   LYS+  99  10.15 +/- 8.32  10.128% *  0.8390% (0.57   1.0  1.00   0.25   8.09) =   0.185%  kept
          HA    ASN   35 - HG2   LYS+  38   4.12 +/- 1.84  31.902% *  0.0303% (0.26   1.0  1.00   0.02   0.02) =   0.021%
        T HA    LYS+  99 - HG2   LYS+  38  13.45 +/- 7.64   1.853% *  0.2676% (0.23   1.0 10.00   0.02   0.02) =   0.011%
          HA    ASN   35 - HG2   LYS+  99  13.36 +/- 7.79   1.718% *  0.1112% (0.95   1.0  1.00   0.02   0.02) =   0.004%
          HA    SER   13 - HG2   LYS+  99  22.45 +/- 7.20   1.257% *  0.0441% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG2   LYS+  38   8.14 +/- 0.64   2.518% *  0.0181% (0.15   1.0  1.00   0.02   0.83) =   0.001%
          HA    LEU  123 - HG2   LYS+  99  22.54 +/- 7.62   0.346% *  0.1173% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HG2   LYS+  99  17.75 +/- 6.35   0.687% *  0.0441% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HG2   LYS+  38  14.23 +/- 4.29   1.291% *  0.0120% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  99  24.46 +/- 3.07   0.103% *  0.1135% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  38  18.74 +/- 5.03   0.856% *  0.0120% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  38  25.30 +/- 6.43   0.248% *  0.0320% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  99  22.24 +/- 3.64   0.148% *  0.0483% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  99  24.87 +/- 2.96   0.092% *  0.0572% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  38  27.37 +/- 4.05   0.081% *  0.0309% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  38  24.09 +/- 3.83   0.122% *  0.0132% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  38  29.53 +/- 3.38   0.054% *  0.0156% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3097 (4.41, 3.81, 57.72 ppm):
    20 chemical-shift based assignments, quality = 0.12, support = 4.74, residual support = 17.5:
          HA    SER   37 - HA    LYS+  38   5.19 +/- 0.12  26.670% * 42.8977% (0.05  1.00   5.54  20.59) =  84.925%  kept
          HA    LEU   40 - HA    LYS+  38   6.20 +/- 0.46  16.139% *  4.6263% (0.05  1.00   0.57   0.83) =   5.542%  kept
          HA    LEU   40 - HA    GLU- 100  11.26 +/- 7.94  15.836% *  2.6857% (0.80  1.00   0.02   0.02) =   3.157%  kept
          HA    SER   13 - HA    GLU- 100  21.61 +/- 7.27   8.318% *  3.1728% (0.95  1.00   0.02   0.02) =   1.959%  kept
          HA    GLU-  15 - HA    GLU- 100  17.27 +/- 6.46   5.454% *  3.1728% (0.95  1.00   0.02   0.02) =   1.284%  kept
          HA    GLN   17 - HA    GLU- 100  17.96 +/- 6.10   5.460% *  2.5632% (0.76  1.00   0.02   0.02) =   1.039%  kept
          HA    SER   37 - HA    GLU- 100  14.53 +/- 8.38   4.598% *  2.5632% (0.76  1.00   0.02   0.02) =   0.875%  kept
        T HA    PRO   58 - HA    GLU- 100  24.18 +/- 2.93   0.336% * 30.9614% (0.92 10.00   0.02   0.02) =   0.771%  kept
          HA    VAL   42 - HA    GLU- 100  13.04 +/- 4.48   2.391% *  0.7467% (0.22  1.00   0.02   0.02) =   0.133%  kept
        T HA    PRO   58 - HA    LYS+  38  22.60 +/- 3.51   0.528% *  1.8709% (0.06 10.00   0.02   0.02) =   0.073%
          HA    THR   46 - HA    GLU- 100  22.95 +/- 1.62   0.330% *  2.8015% (0.84  1.00   0.02   0.02) =   0.069%
          HA    GLU-  15 - HA    LYS+  38  13.51 +/- 4.18   4.034% *  0.1917% (0.06  1.00   0.02   0.02) =   0.057%
          HA    SER   13 - HA    LYS+  38  18.35 +/- 4.88   2.582% *  0.1917% (0.06  1.00   0.02   0.02) =   0.037%
          HA    GLN   17 - HA    LYS+  38  14.67 +/- 3.90   2.999% *  0.1549% (0.05  1.00   0.02   0.02) =   0.034%
          HA    LEU  123 - HA    GLU- 100  25.48 +/- 6.61   0.449% *  0.6638% (0.20  1.00   0.02   0.02) =   0.022%
          HA    ILE   56 - HA    GLU- 100  26.50 +/- 2.73   0.224% *  0.4539% (0.14  1.00   0.02   0.02) =   0.008%
          HA    VAL   42 - HA    LYS+  38  11.95 +/- 0.62   2.166% *  0.0451% (0.01  1.00   0.02   0.02) =   0.007%
          HA    THR   46 - HA    LYS+  38  23.06 +/- 2.06   0.324% *  0.1693% (0.05  1.00   0.02   0.02) =   0.004%
          HA    LEU  123 - HA    LYS+  38  24.45 +/- 6.07   0.873% *  0.0401% (0.01  1.00   0.02   0.02) =   0.003%
          HA    ILE   56 - HA    LYS+  38  25.73 +/- 3.83   0.289% *  0.0274% (0.01  1.00   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 0 structures by 0.91 A, kept.
 
    Peak 3098 (8.85, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 14.9:
      O   HN    GLY  101 - HA    GLU- 100   3.26 +/- 0.50  89.911% * 99.9940% (1.00  10.0   3.86  14.94) =  99.999%  kept
          HN    GLY  101 - HA    LYS+  38  13.20 +/- 8.19  10.089% *  0.0060% (0.06   1.0   0.02   0.02) =   0.001%
    Distance limit 3.35 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3099 (10.12, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.37, residual support = 75.4:
      O   HN    GLU- 100 - HA    GLU- 100   2.34 +/- 0.20  88.961% * 99.9940% (0.84  10.0   6.37  75.43) =  99.999%  kept
          HN    GLU- 100 - HA    LYS+  38  11.02 +/- 8.57  11.039% *  0.0060% (0.05   1.0   0.02   0.02) =   0.001%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3100 (4.00, 2.37, 29.04 ppm):
    11 chemical-shift based assignments, quality = 0.848, support = 0.02, residual support = 0.02:
        T HA    GLU-  29 - HB2   GLU- 100  16.94 +/- 6.42  12.340% * 27.8286% (0.98 10.00   0.02   0.02) =  38.001%  kept
        T HA    LYS+  33 - HB2   GLU- 100  15.71 +/- 6.62   8.827% * 28.3278% (1.00 10.00   0.02   0.02) =  27.668%  kept
        T HA    GLN   32 - HB2   GLU- 100  14.52 +/- 7.17  15.583% *  8.7627% (0.31 10.00   0.02   0.02) =  15.110%  kept
        T HA    GLN  116 - HB2   GLU- 100  24.67 +/- 3.56   3.114% * 23.7140% (0.84 10.00   0.02   0.02) =   8.171%  kept
          HA    VAL   18 - HB2   GLU- 100  18.07 +/- 5.15  11.010% *  2.7399% (0.97  1.00   0.02   0.02) =   3.338%  kept
          HA    VAL   70 - HB2   GLU- 100  17.00 +/- 6.94  12.184% *  2.3714% (0.84  1.00   0.02   0.02) =   3.197%  kept
          HB2   SER   82 - HB2   GLU- 100  24.32 +/- 5.74   5.788% *  2.6208% (0.92  1.00   0.02   0.02) =   1.679%  kept
          HB2   SER   37 - HB2   GLU- 100  14.94 +/- 7.93  18.093% *  0.5618% (0.20  1.00   0.02   0.02) =   1.125%  kept
          HA    SER   48 - HB2   GLU- 100  27.71 +/- 4.02   5.971% *  1.6074% (0.57  1.00   0.02   0.02) =   1.062%  kept
          HA    ALA   88 - HB2   GLU- 100  22.28 +/- 2.73   4.979% *  0.9684% (0.34  1.00   0.02   0.02) =   0.534%  kept
          HD2   PRO   52 - HB2   GLU- 100  30.18 +/- 3.01   2.111% *  0.4972% (0.18  1.00   0.02   0.02) =   0.116%  kept
    Distance limit 3.45 A violated in 18 structures by 5.73 A, eliminated.
    Peak unassigned.
 
    Peak 3103 (1.31, 2.23, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.45, support = 5.2, residual support = 38.4:
          HG2   LYS+  99 - HG2   GLU- 100   3.63 +/- 1.11  51.311% * 97.4736% (0.45   5.23  38.54) =  99.509%  kept
          HG2   LYS+  38 - HG2   GLU- 100  12.43 +/- 9.71  26.741% *  0.4707% (0.57   0.02   0.02) =   0.250%  kept
          QG2   THR   77 - HG2   GLU- 100  18.42 +/- 4.31  12.899% *  0.8149% (0.98   0.02   0.02) =   0.209%  kept
          HB2   LEU   31 - HG2   GLU- 100  13.70 +/- 6.13   7.941% *  0.1456% (0.18   0.02   0.02) =   0.023%
          QB    ALA   88 - HG2   GLU- 100  18.49 +/- 2.29   0.371% *  0.7456% (0.90   0.02   0.02) =   0.006%
          QG2   THR   23 - HG2   GLU- 100  18.65 +/- 4.23   0.611% *  0.1645% (0.20   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HG2   GLU- 100  27.49 +/- 2.93   0.125% *  0.1851% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3104 (1.31, 2.12, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.449, support = 4.05, residual support = 38.4:
          HG2   LYS+  99 - HG3   GLU- 100   3.06 +/- 0.92  54.534% * 96.7749% (0.45   4.07  38.54) =  99.556%  kept
          HG2   LYS+  38 - HG3   GLU- 100  13.14 +/- 9.92  17.245% *  0.6009% (0.57   0.02   0.02) =   0.195%  kept
          QG2   THR   77 - HG3   GLU- 100  18.57 +/- 4.06   8.995% *  1.0403% (0.98   0.02   0.02) =   0.177%  kept
          HB2   LEU   31 - HG3   GLU- 100  14.16 +/- 6.60  18.448% *  0.1859% (0.18   0.02   0.02) =   0.065%
          QB    ALA   88 - HG3   GLU- 100  18.50 +/- 2.07   0.295% *  0.9518% (0.90   0.02   0.02) =   0.005%
          QG2   THR   23 - HG3   GLU- 100  18.87 +/- 4.30   0.394% *  0.2100% (0.20   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HG3   GLU- 100  27.24 +/- 3.19   0.089% *  0.2363% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3105 (3.81, 2.12, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.45, residual support = 75.4:
      O   HA    GLU- 100 - HG3   GLU- 100   3.29 +/- 0.58  82.511% * 99.7364% (1.00  10.0   4.45  75.43) =  99.995%  kept
          HA    LYS+  38 - HG3   GLU- 100  12.21 +/- 9.47  16.543% *  0.0198% (0.20   1.0   0.02   0.02) =   0.004%
          HA    VAL   83 - HG3   GLU- 100  21.60 +/- 4.94   0.473% *  0.1000% (1.00   1.0   0.02   0.02) =   0.001%
          HD2   PRO   58 - HG3   GLU- 100  26.14 +/- 3.32   0.271% *  0.0991% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLU- 100  27.76 +/- 3.13   0.202% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3106 (10.11, 2.12, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.24, residual support = 75.4:
          HN    GLU- 100 - HG3   GLU- 100   3.28 +/- 0.64 100.000% *100.0000% (0.97   4.24  75.43) = 100.000%  kept
    Distance limit 4.12 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3107 (10.12, 2.23, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.43, residual support = 75.4:
          HN    GLU- 100 - HG2   GLU- 100   3.17 +/- 0.94 100.000% *100.0000% (0.84   6.43  75.43) = 100.000%  kept
    Distance limit 4.22 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3108 (7.76, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 4.81, residual support = 160.1:
      O   HN    LYS+ 102 - QB    LYS+ 102   2.57 +/- 0.15  88.307% * 99.6342% (1.00  10.0   4.81 160.09) =  99.994%  kept
          HN    LYS+ 102 - HB    VAL   41  12.20 +/- 6.21   2.894% *  0.0448% (0.45   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - HB    VAL   41   7.71 +/- 0.89   4.137% *  0.0272% (0.27   1.0   0.02   0.29) =   0.001%
          HN    GLU-  36 - HB    VAL   41  10.63 +/- 1.48   1.774% *  0.0433% (0.43   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - QB    LYS+ 102  16.83 +/- 5.58   0.522% *  0.0964% (0.97   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - QB    LYS+ 102  15.30 +/- 6.19   0.793% *  0.0606% (0.61   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - QB    LYS+ 102  15.57 +/- 3.42   0.674% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    VAL   41  13.94 +/- 3.55   0.900% *  0.0290% (0.29   1.0   0.02   0.24) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3109 (8.62, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.46, residual support = 23.2:
          HN    ILE  103 - QB    LYS+ 102   2.95 +/- 0.46  82.010% * 98.9468% (1.00   5.46  23.23) =  99.965%  kept
          HN    ILE  103 - HB    VAL   41  12.08 +/- 5.83  14.841% *  0.1629% (0.45   0.02   0.02) =   0.030%
          HN    GLN   90 - QB    LYS+ 102  18.36 +/- 1.64   0.409% *  0.3429% (0.95   0.02   0.02) =   0.002%
          HN    GLN   90 - HB    VAL   41  16.78 +/- 2.23   0.606% *  0.1541% (0.43   0.02   0.02) =   0.001%
          HN    GLY  109 - QB    LYS+ 102  17.54 +/- 1.04   0.435% *  0.1907% (0.53   0.02   0.02) =   0.001%
          HN    GLY  109 - HB    VAL   41  18.33 +/- 1.95   0.437% *  0.0857% (0.24   0.02   0.02) =   0.000%
          HN    SER   82 - HB    VAL   41  18.42 +/- 4.55   0.886% *  0.0363% (0.10   0.02   0.02) =   0.000%
          HN    SER   82 - QB    LYS+ 102  20.99 +/- 4.21   0.375% *  0.0807% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3110 (7.78, 1.45, 25.01 ppm):
    5 chemical-shift based assignments, quality = 0.725, support = 4.56, residual support = 159.6:
          HN    LYS+ 102 - HG2   LYS+ 102   3.48 +/- 0.42  89.254% * 95.7423% (0.73   4.57 160.09) =  99.695%  kept
          HN    ASP- 105 - HG2   LYS+ 102   9.81 +/- 1.24   6.827% *  3.7390% (0.38   0.35   0.02) =   0.298%  kept
          HN    GLU-  36 - HG2   LYS+ 102  18.75 +/- 6.74   1.212% *  0.3035% (0.53   0.02   0.02) =   0.004%
          HN    THR   39 - HG2   LYS+ 102  17.31 +/- 7.32   1.638% *  0.1010% (0.18   0.02   0.02) =   0.002%
          HD1   TRP   87 - HG2   LYS+ 102  17.75 +/- 4.01   1.069% *  0.1142% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3111 (3.95, 4.28, 62.30 ppm):
    20 chemical-shift based assignments, quality = 0.642, support = 0.02, residual support = 0.0225:
        T QB    SER   48 - HA    ILE  103  20.61 +/- 4.54   5.978% * 19.2979% (0.87 10.00   0.02   0.02) =  26.260%  kept
        T QB    SER   85 - HA    ILE  103  17.08 +/- 3.02   4.654% * 19.9520% (0.90 10.00   0.02   0.02) =  21.138%  kept
        T QB    SER  117 - HA    ILE  103  15.87 +/- 3.43   6.694% *  7.5887% (0.34 10.00   0.02   0.02) =  11.564%  kept
        T QB    SER   85 - HA    THR   39  22.28 +/- 4.84   4.692% *  6.5917% (0.30 10.00   0.02   0.02) =   7.040%  kept
        T QB    SER   48 - HA    THR   39  22.59 +/- 4.06   4.459% *  6.3756% (0.29 10.00   0.02   0.02) =   6.472%  kept
        T HA2   GLY   51 - HA    ILE  103  25.88 +/- 3.43   1.208% * 13.4936% (0.61 10.00   0.02   0.02) =   3.710%  kept
          HB    THR   94 - HA    ILE  103  13.63 +/- 0.78   7.903% *  1.7002% (0.76  1.00   0.02   0.02) =   3.059%  kept
          HA2   GLY   16 - HA    ILE  103  19.99 +/- 5.37   6.521% *  1.9952% (0.90  1.00   0.02   0.02) =   2.962%  kept
        T QB    SER  117 - HA    THR   39  20.47 +/- 4.08   4.723% *  2.5072% (0.11 10.00   0.02   0.02) =   2.695%  kept
          HA    LYS+ 121 - HA    ILE  103  18.15 +/- 7.04   7.361% *  1.5282% (0.69  1.00   0.02   0.02) =   2.561%  kept
          HA2   GLY   16 - HA    THR   39  12.86 +/- 5.48  16.142% *  0.6592% (0.30  1.00   0.02   0.12) =   2.422%  kept
        T HD2   PRO   52 - HA    ILE  103  23.88 +/- 3.55   1.703% *  5.5474% (0.25 10.00   0.02   0.02) =   2.151%  kept
          HA    ALA  120 - HA    ILE  103  20.20 +/- 4.93   3.466% *  2.2050% (0.99  1.00   0.02   0.02) =   1.740%  kept
        T HA2   GLY   51 - HA    THR   39  27.30 +/- 4.43   1.675% *  4.4580% (0.20 10.00   0.02   0.02) =   1.700%  kept
          HA    LYS+  65 - HA    ILE  103  20.02 +/- 3.26   3.607% *  1.8582% (0.84  1.00   0.02   0.02) =   1.526%  kept
          HA    LYS+  65 - HA    THR   39  15.37 +/- 1.96   5.894% *  0.6139% (0.28  1.00   0.02   0.02) =   0.824%  kept
          HA    LYS+ 121 - HA    THR   39  20.66 +/- 6.29   5.321% *  0.5049% (0.23  1.00   0.02   0.02) =   0.612%  kept
          HA    ALA  120 - HA    THR   39  22.07 +/- 5.36   3.629% *  0.7285% (0.33  1.00   0.02   0.02) =   0.602%  kept
        T HD2   PRO   52 - HA    THR   39  26.27 +/- 3.01   1.399% *  1.8327% (0.08 10.00   0.02   0.02) =   0.584%  kept
          HB    THR   94 - HA    THR   39  19.62 +/- 1.59   2.971% *  0.5617% (0.25  1.00   0.02   0.02) =   0.380%  kept
    Distance limit 3.18 A violated in 20 structures by 5.50 A, eliminated.
    Peak unassigned.
 
    Peak 3113 (9.38, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.57, residual support = 38.8:
      O   HN    LEU  104 - HA    ILE  103   2.48 +/- 0.35  94.424% * 99.8797% (0.92  10.0   6.57  38.81) =  99.998%  kept
          HN    PHE   72 - HA    THR   39   9.51 +/- 1.76   3.824% *  0.0217% (0.20   1.0   0.02   0.02) =   0.001%
          HN    PHE   72 - HA    ILE  103  15.44 +/- 3.40   0.991% *  0.0656% (0.61   1.0   0.02   0.02) =   0.001%
          HN    LEU  104 - HA    THR   39  15.22 +/- 5.67   0.761% *  0.0330% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3114 (7.75, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.349, support = 3.76, residual support = 35.9:
      O   HN    THR   39 - HA    THR   39   2.87 +/- 0.03  71.929% * 71.3164% (0.33  10.0   3.75  36.84) =  93.061%  kept
          HN    LYS+ 102 - HA    ILE  103   5.02 +/- 0.29  13.790% * 27.6470% (0.65   1.0   3.92  23.23) =   6.916%  kept
          HN    TRP   27 - HA    ILE  103  16.96 +/- 4.38   3.212% *  0.1060% (0.49   1.0   0.02   0.02) =   0.006%
          HN    GLU-  36 - HA    THR   39   8.26 +/- 0.91   4.507% *  0.0601% (0.28   1.0   0.02   1.06) =   0.005%
          HD1   TRP   87 - HA    ILE  103  14.02 +/- 3.03   0.914% *  0.2173% (1.00   1.0   0.02   0.43) =   0.004%
          HN    THR   39 - HA    ILE  103  15.25 +/- 5.64   0.825% *  0.2159% (0.99   1.0   0.02   0.02) =   0.003%
          HN    GLU-  36 - HA    ILE  103  17.47 +/- 4.93   0.452% *  0.1819% (0.84   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HA    THR   39  19.60 +/- 5.12   1.140% *  0.0718% (0.33   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HA    THR   39  15.22 +/- 7.60   1.329% *  0.0465% (0.21   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HA    THR   39  15.95 +/- 2.21   0.539% *  0.0350% (0.16   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  17.59 +/- 1.18   0.326% *  0.0431% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE  103  17.91 +/- 2.74   0.399% *  0.0336% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    THR   39  17.11 +/- 2.65   0.466% *  0.0111% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  23.41 +/- 3.01   0.172% *  0.0142% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3115 (0.69, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 4.28, residual support = 33.4:
        T QD1   LEU   98 - HA    ILE  103   2.94 +/- 0.62  87.965% * 99.6453% (0.41 10.00   4.28  33.40) =  99.986%  kept
          QG2   ILE   19 - HA    ILE  103  14.96 +/- 2.88   2.479% *  0.2418% (1.00  1.00   0.02   0.02) =   0.007%
          QG2   ILE   19 - HA    THR   39  10.48 +/- 3.16   6.562% *  0.0799% (0.33  1.00   0.02   0.02) =   0.006%
          QD1   LEU   98 - HA    THR   39  12.55 +/- 5.07   2.994% *  0.0329% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.27 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3116 (7.78, 0.98, 18.17 ppm):
    5 chemical-shift based assignments, quality = 0.447, support = 2.7, residual support = 7.44:
          HN    ASP- 105 - QG2   ILE  103   2.57 +/- 0.64  86.413% * 28.5813% (0.38   2.55   3.39) =  79.550%  kept
          HN    LYS+ 102 - QG2   ILE  103   6.39 +/- 0.15   8.947% * 70.8827% (0.73   3.27  23.23) =  20.428%  kept
          HN    GLU-  36 - QG2   ILE  103  16.50 +/- 3.52   0.890% *  0.3136% (0.53   0.02   0.02) =   0.009%
          HD1   TRP   87 - QG2   ILE  103  11.31 +/- 2.43   2.240% *  0.1180% (0.20   0.02   0.43) =   0.009%
          HN    THR   39 - QG2   ILE  103  14.46 +/- 3.93   1.510% *  0.1044% (0.18   0.02   0.02) =   0.005%
    Distance limit 3.57 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3117 (9.39, 0.98, 18.17 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 6.57, residual support = 38.8:
          HN    LEU  104 - QG2   ILE  103   2.11 +/- 0.34  99.393% * 99.9406% (0.90   6.57  38.81) = 100.000%  kept
          HN    PHE   72 - QG2   ILE  103  13.61 +/- 2.60   0.607% *  0.0594% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3118 (8.62, 1.86, 38.31 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.73, residual support = 138.7:
      O   HN    ILE  103 - HB    ILE  103   2.30 +/- 0.34  98.925% * 99.8308% (1.00  10.0   6.73 138.66) =  99.999%  kept
          HN    GLN   90 - HB    ILE  103  16.15 +/- 1.90   0.369% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB    ILE  103  14.91 +/- 0.82   0.443% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HB    ILE  103  20.57 +/- 3.77   0.263% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3119 (4.31, 1.82, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.218, support = 5.93, residual support = 134.3:
      O T HA    ILE  103 - HG12  ILE  103   2.33 +/- 0.40  91.032% * 56.2110% (0.20  10.0 10.00   5.98 138.66) =  95.596%  kept
          HA    LEU  104 - HG12  ILE  103   6.28 +/- 0.27   5.501% * 42.7682% (0.61   1.0  1.00   4.97  38.81) =   4.395%  kept
          HA    ASP-  86 - HG12  ILE  103  14.71 +/- 3.33   0.567% *  0.2249% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  44 - HG12  ILE  103  11.84 +/- 1.75   1.022% *  0.0927% (0.33   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  14 - HG12  ILE  103  23.82 +/- 4.76   0.294% *  0.2249% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - HG12  ILE  103  17.64 +/- 3.45   0.832% *  0.0769% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   12 - HG12  ILE  103  26.99 +/- 5.14   0.219% *  0.2234% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HG12  ILE  103  15.79 +/- 3.03   0.420% *  0.0769% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - HG12  ILE  103  29.35 +/- 4.75   0.113% *  0.1011% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3120 (8.62, 1.82, 28.60 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.92, residual support = 138.6:
          HN    ILE  103 - HG12  ILE  103   3.31 +/- 0.46  96.145% * 99.5124% (0.80   6.92 138.66) =  99.993%  kept
          HN    GLN   90 - HG12  ILE  103  14.94 +/- 1.70   1.397% *  0.2722% (0.76   0.02   0.02) =   0.004%
          HN    GLY  109 - HG12  ILE  103  14.77 +/- 1.14   1.387% *  0.1514% (0.42   0.02   0.02) =   0.002%
          HN    SER   82 - HG12  ILE  103  18.58 +/- 3.87   1.071% *  0.0641% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3121 (1.18, 1.82, 28.60 ppm):
    6 chemical-shift based assignments, quality = 0.581, support = 4.3, residual support = 138.7:
      O T HG13  ILE  103 - HG12  ILE  103   1.75 +/- 0.00  98.281% * 99.2748% (0.58  10.0 10.00   4.30 138.66) =  99.998%  kept
          QG2   THR   94 - HG12  ILE  103   8.89 +/- 1.07   0.848% *  0.1045% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   71 - HG12  ILE  103  17.05 +/- 3.86   0.156% *  0.4220% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HG12  ILE  103  10.26 +/- 1.31   0.576% *  0.0380% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG12  ILE  103  20.82 +/- 1.83   0.065% *  0.1095% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG12  ILE  103  20.98 +/- 2.84   0.074% *  0.0513% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3122 (0.98, 1.82, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.6, support = 5.05, residual support = 138.6:
      O T QG2   ILE  103 - HG12  ILE  103   2.72 +/- 0.22  32.537% * 66.7776% (0.80  10.0 10.00   5.46 138.66) =  51.317%  kept
      O T QD1   ILE  103 - HG12  ILE  103   2.15 +/- 0.01  63.263% * 32.5765% (0.39  10.0 10.00   4.62 138.66) =  48.675%  kept
          QD2   LEU   40 - HG12  ILE  103   9.74 +/- 4.98   2.372% *  0.0633% (0.76   1.0  1.00   0.02   0.02) =   0.004%
        T QD2   LEU   71 - HG12  ILE  103  14.90 +/- 3.13   0.272% *  0.4059% (0.49   1.0 10.00   0.02   0.02) =   0.003%
          QD1   LEU   67 - HG12  ILE  103  14.07 +/- 3.52   0.736% *  0.0646% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG12  ILE  103  17.10 +/- 3.82   0.249% *  0.0663% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  103  14.13 +/- 3.09   0.400% *  0.0251% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG12  ILE  103  16.69 +/- 2.97   0.171% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3123 (0.70, 1.82, 28.60 ppm):
    2 chemical-shift based assignments, quality = 0.718, support = 5.88, residual support = 33.4:
          QD1   LEU   98 - HG12  ILE  103   2.45 +/- 0.57  99.235% * 99.7551% (0.72   5.88  33.40) =  99.998%  kept
          QG2   ILE   19 - HG12  ILE  103  14.94 +/- 2.59   0.765% *  0.2449% (0.52   0.02   0.02) =   0.002%
    Distance limit 3.77 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3124 (0.95, 1.16, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.74, support = 4.09, residual support = 138.7:
      O   QD1   ILE  103 - HG13  ILE  103   2.15 +/- 0.01  55.247% * 82.5087% (0.84  10.0   3.97 138.66) =  85.633%  kept
      O   QG2   ILE  103 - HG13  ILE  103   2.38 +/- 0.37  44.205% * 17.2996% (0.18  10.0   4.82 138.66) =  14.366%  kept
          QD2   LEU   71 - HG13  ILE  103  15.55 +/- 2.90   0.196% *  0.0717% (0.73   1.0   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG13  ILE  103  16.65 +/- 2.67   0.148% *  0.0953% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  103  17.41 +/- 3.99   0.203% *  0.0246% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3125 (0.70, 1.16, 28.60 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 2.46, residual support = 33.4:
          QD1   LEU   98 - HG13  ILE  103   3.26 +/- 0.62  98.826% * 99.4181% (0.90   2.46  33.40) =  99.993%  kept
          QG2   ILE   19 - HG13  ILE  103  15.67 +/- 2.54   1.174% *  0.5819% (0.65   0.02   0.02) =   0.007%
    Distance limit 3.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3126 (7.17, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.648, support = 0.02, residual support = 0.02:
          HD1   TRP   27 - QD1   ILE  103  12.61 +/- 4.01  35.326% * 17.5479% (0.45   0.02   0.02) =  26.910%  kept
          HE21  GLN   30 - QD1   ILE  103  14.52 +/- 2.90  20.393% * 30.1124% (0.77   0.02   0.02) =  26.658%  kept
          HH2   TRP   49 - QD1   ILE  103  19.74 +/- 4.86  16.965% * 34.7918% (0.89   0.02   0.02) =  25.623%  kept
          QD    PHE   59 - QD1   ILE  103  13.81 +/- 2.28  27.317% * 17.5479% (0.45   0.02   0.02) =  20.809%  kept
    Distance limit 4.09 A violated in 19 structures by 5.87 A, eliminated.
    Peak unassigned.
 
    Peak 3127 (7.70, 0.96, 13.94 ppm):
    6 chemical-shift based assignments, quality = 0.55, support = 0.376, residual support = 0.419:
          HE3   TRP   87 - QD1   ILE  103   7.73 +/- 4.04  42.210% * 57.0094% (0.52   0.43   0.43) =  80.226%  kept
          HN    TRP   87 - QD1   ILE  103  10.66 +/- 3.01  14.681% * 33.3218% (0.67   0.20   0.43) =  16.310%  kept
          HN    GLN   17 - QD1   ILE  103  16.88 +/- 4.29  11.494% *  4.0813% (0.80   0.02   0.02) =   1.564%  kept
          HD21  ASN   69 - QD1   ILE  103  17.06 +/- 4.50   9.519% *  3.2319% (0.63   0.02   0.02) =   1.026%  kept
          HN    ALA   61 - QD1   ILE  103  15.88 +/- 2.67  11.903% *  1.3082% (0.26   0.02   0.02) =   0.519%  kept
          HN    ALA   91 - QD1   ILE  103  13.54 +/- 1.69  10.192% *  1.0475% (0.21   0.02   0.02) =   0.356%  kept
    Distance limit 3.73 A violated in 14 structures by 3.14 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 3128 (8.62, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.59, residual support = 138.6:
          HN    ILE  103 - QD1   ILE  103   2.35 +/- 0.63  96.005% * 99.3978% (0.92   5.59 138.66) =  99.990%  kept
          HN    GLN   90 - QD1   ILE  103  12.71 +/- 1.93   1.689% *  0.3361% (0.87   0.02   0.02) =   0.006%
          HN    GLY  109 - QD1   ILE  103  12.69 +/- 1.00   1.555% *  0.1869% (0.49   0.02   0.02) =   0.003%
          HN    SER   82 - QD1   ILE  103  15.73 +/- 3.43   0.751% *  0.0791% (0.21   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3129 (4.29, 1.16, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.721, support = 5.38, residual support = 137.6:
      O   HA    ILE  103 - HG13  ILE  103   3.32 +/- 0.30  76.874% * 92.0171% (0.73  10.0   5.40 138.66) =  98.963%  kept
          HA    LEU  104 - HG13  ILE  103   6.63 +/- 0.23  10.187% *  7.1662% (0.28   1.0   4.07  38.81) =   1.021%  kept
          HB    THR   77 - HG13  ILE  103  17.40 +/- 3.57   3.874% *  0.1058% (0.84   1.0   0.02   0.02) =   0.006%
          HA    ASP-  44 - HG13  ILE  103  11.77 +/- 2.03   2.482% *  0.1136% (0.90   1.0   0.02   0.02) =   0.004%
          HA    ASP-  86 - HG13  ILE  103  14.31 +/- 3.27   1.545% *  0.0920% (0.73   1.0   0.02   0.02) =   0.002%
          HA    SER   85 - HG13  ILE  103  15.22 +/- 2.94   1.057% *  0.1058% (0.84   1.0   0.02   0.02) =   0.002%
          HA    GLU-  79 - HG13  ILE  103  18.77 +/- 4.63   1.492% *  0.0432% (0.34   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HG13  ILE  103  24.71 +/- 4.50   0.487% *  0.0820% (0.65   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HG13  ILE  103  16.56 +/- 5.29   1.052% *  0.0352% (0.28   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HG13  ILE  103  27.94 +/- 4.84   0.353% *  0.0968% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HG13  ILE  103  30.31 +/- 4.48   0.195% *  0.1170% (0.92   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG13  ILE  103  24.56 +/- 4.00   0.402% *  0.0251% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3130 (8.62, 1.16, 28.60 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.23, residual support = 138.6:
          HN    ILE  103 - HG13  ILE  103   3.77 +/- 0.58  93.721% * 99.4588% (1.00   6.23 138.66) =  99.987%  kept
          HN    GLN   90 - HG13  ILE  103  14.22 +/- 1.79   2.367% *  0.3021% (0.95   0.02   0.02) =   0.008%
          HN    GLY  109 - HG13  ILE  103  13.81 +/- 1.19   2.419% *  0.1680% (0.53   0.02   0.02) =   0.004%
          HN    SER   82 - HG13  ILE  103  18.44 +/- 3.62   1.494% *  0.0711% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3131 (8.60, 0.98, 18.17 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.54, residual support = 138.6:
          HN    ILE  103 - QG2   ILE  103   3.62 +/- 0.08  91.773% * 99.2600% (0.69   6.54 138.66) =  99.976%  kept
          HN    GLY  109 - QG2   ILE  103  11.09 +/- 0.61   3.276% *  0.4265% (0.97   0.02   0.02) =   0.015%
          HN    GLN   90 - QG2   ILE  103  12.59 +/- 1.57   2.471% *  0.2151% (0.49   0.02   0.02) =   0.006%
          HE1   HIS   22 - QG2   ILE  103  18.73 +/- 4.92   2.480% *  0.0984% (0.22   0.02   0.02) =   0.003%
    Distance limit 3.64 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3132 (4.62, 1.86, 38.31 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.78, residual support = 23.2:
          HA    LYS+ 102 - HB    ILE  103   4.54 +/- 0.29  93.907% * 98.7656% (0.38   4.78  23.23) =  99.954%  kept
          HA    ALA   20 - HB    ILE  103  19.55 +/- 4.20   3.728% *  1.0165% (0.92   0.02   0.02) =   0.041%
          HA    LEU   71 - HB    ILE  103  18.67 +/- 3.30   2.365% *  0.2179% (0.20   0.02   0.02) =   0.006%
    Distance limit 4.16 A violated in 0 structures by 0.38 A, kept.
 
    Peak 3133 (2.98, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.82, support = 4.69, residual support = 16.9:
        T HB2   PHE   97 - HB2   LEU  104   3.12 +/- 0.84  68.533% * 96.5276% (0.82 10.00   4.70  16.99) =  99.614%  kept
          QE    LYS+ 106 - HB2   LEU  104   8.02 +/- 1.22   7.494% *  3.2787% (0.78  1.00   0.72   0.02) =   0.370%  kept
          HB3   TRP   27 - HB2   LEU  104  16.26 +/- 4.02   6.197% *  0.0942% (0.80  1.00   0.02   0.02) =   0.009%
          QE    LYS+  99 - HB2   LEU  104   6.30 +/- 0.99  16.887% *  0.0254% (0.22  1.00   0.02  18.67) =   0.006%
          HB3   PHE   60 - HB2   LEU  104  15.75 +/- 3.73   0.889% *  0.0741% (0.63  1.00   0.02   0.02) =   0.001%
    Distance limit 3.93 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3134 (7.80, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.821, support = 6.41, residual support = 36.1:
          HN    ASP- 105 - HB2   LEU  104   2.88 +/- 0.44  99.390% * 99.8763% (0.82   6.41  36.07) =  99.999%  kept
          HN    ALA   88 - HB2   LEU  104  18.04 +/- 2.18   0.610% *  0.1237% (0.33   0.02   0.02) =   0.001%
    Distance limit 3.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3135 (9.36, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.357, support = 7.38, residual support = 215.5:
      O   HN    LEU  104 - HB2   LEU  104   2.90 +/- 0.39  99.024% * 99.7579% (0.36  10.0   7.38 215.53) =  99.998%  kept
          HN    PHE   72 - HB2   LEU  104  15.00 +/- 3.27   0.976% *  0.2421% (0.87   1.0   0.02   0.02) =   0.002%
    Distance limit 3.58 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3136 (9.38, 0.86, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.89, residual support = 215.5:
      O   HN    LEU  104 - HB3   LEU  104   3.67 +/- 0.14  98.461% * 99.9343% (0.71  10.0   6.89 215.53) =  99.999%  kept
          HN    PHE   72 - HB3   LEU  104  16.09 +/- 3.32   1.539% *  0.0657% (0.46   1.0   0.02   0.02) =   0.001%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3137 (9.38, 1.53, 26.82 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 7.45, residual support = 215.5:
          HN    LEU  104 - HG    LEU  104   3.09 +/- 0.76  98.122% * 99.8240% (0.92   7.45 215.53) =  99.997%  kept
          HN    PHE   72 - HG    LEU  104  15.21 +/- 3.49   1.878% *  0.1760% (0.61   0.02   0.02) =   0.003%
    Distance limit 3.50 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3138 (8.33, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 1.71, residual support = 18.6:
          HN    LYS+  99 - HG    LEU  104   3.81 +/- 0.88  71.895% * 96.7763% (0.98   1.72  18.67) =  99.558%  kept
          HE1   HIS  122 - HG    LEU  104  15.74 +/- 8.92  23.399% *  1.1481% (1.00   0.02   0.02) =   0.384%  kept
          HN    GLU-  14 - HG    LEU  104  22.99 +/- 5.17   2.675% *  1.1279% (0.98   0.02   0.02) =   0.043%
          HN    GLN   30 - HG    LEU  104  16.97 +/- 3.69   1.279% *  0.5159% (0.45   0.02   0.02) =   0.009%
          HN    ASP-  86 - HG    LEU  104  19.24 +/- 2.96   0.753% *  0.4319% (0.38   0.02   0.02) =   0.005%
    Distance limit 4.15 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3140 (9.36, 0.60, 26.08 ppm):
    6 chemical-shift based assignments, quality = 0.38, support = 6.66, residual support = 202.5:
          HN    LEU  104 - QD1   LEU  104   3.78 +/- 0.84  54.451% * 74.2510% (0.40   6.89 215.53) =  92.587%  kept
          HN    PHE   72 - QD1   LEU   73   6.57 +/- 0.60  13.451% * 20.4889% (0.18   4.25  44.07) =   6.311%  kept
          HN    PHE   72 - QD1   LEU   63   7.61 +/- 1.02   9.825% *  4.6574% (0.18   0.97  17.37) =   1.048%  kept
          HN    PHE   72 - QD1   LEU  104  12.16 +/- 2.94   3.012% *  0.5232% (0.96   0.02   0.02) =   0.036%
          HN    LEU  104 - QD1   LEU   73  12.34 +/- 3.53  11.914% *  0.0397% (0.07   0.02   0.02) =   0.011%
          HN    LEU  104 - QD1   LEU   63  11.93 +/- 2.99   7.348% *  0.0397% (0.07   0.02   0.02) =   0.007%
    Distance limit 3.98 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3141 (1.75, 0.60, 26.08 ppm):
    12 chemical-shift based assignments, quality = 0.396, support = 3.33, residual support = 18.7:
        T HB2   LYS+  99 - QD1   LEU  104   2.49 +/- 0.59  77.626% * 97.1108% (0.40 10.00   3.33  18.67) =  99.904%  kept
        T HB    VAL   43 - QD1   LEU  104   9.82 +/- 2.38   4.363% *  1.2428% (0.51 10.00   0.02   0.02) =   0.072%
        T HB    ILE   89 - QD1   LEU  104  14.49 +/- 2.16   0.752% *  1.0590% (0.43 10.00   0.02   0.02) =   0.011%
        T HB2   LYS+  99 - QD1   LEU   63  12.63 +/- 3.62   2.259% *  0.1789% (0.07 10.00   0.02   0.02) =   0.005%
        T HB2   LYS+  99 - QD1   LEU   73  12.50 +/- 3.21   1.218% *  0.1789% (0.07 10.00   0.02   0.02) =   0.003%
          HB    VAL   43 - QD1   LEU   73   7.46 +/- 2.11   5.893% *  0.0229% (0.09  1.00   0.02   2.38) =   0.002%
          QD    LYS+  81 - QD1   LEU  104  18.72 +/- 3.64   1.075% *  0.1059% (0.43  1.00   0.02   0.02) =   0.002%
          HB    VAL   43 - QD1   LEU   63   9.23 +/- 1.98   3.086% *  0.0229% (0.09  1.00   0.02   0.02) =   0.001%
          HB    ILE   89 - QD1   LEU   73  11.67 +/- 1.80   1.491% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   73  13.80 +/- 2.54   1.015% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   63  13.71 +/- 1.67   0.785% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   63  16.13 +/- 2.02   0.437% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3142 (1.76, 0.73, 22.45 ppm):
    12 chemical-shift based assignments, quality = 0.873, support = 2.43, residual support = 19.4:
          HB2   LYS+  99 - QD2   LEU  104   2.62 +/- 0.64  48.907% * 82.5837% (0.90  1.00   2.40  18.67) =  96.926%  kept
          HB3   GLN   17 - QG2   VAL   18   4.88 +/- 1.05  17.476% *  6.0697% (0.04  1.00   4.13  50.04) =   2.546%  kept
        T HB    VAL   43 - QD2   LEU  104  10.18 +/- 2.21   1.320% *  7.4072% (0.97 10.00   0.02   0.02) =   0.235%  kept
          HB2   LYS+  99 - QG1   VAL   41   8.83 +/- 5.55   6.183% *  1.2405% (0.05  1.00   0.67   0.02) =   0.184%  kept
        T HB    VAL   43 - QG2   VAL   18  10.90 +/- 2.34   1.183% *  1.1382% (0.15 10.00   0.02   0.02) =   0.032%
          QD    LYS+  81 - QD2   LEU  104  18.87 +/- 4.13   1.838% *  0.7085% (0.92  1.00   0.02   0.02) =   0.031%
        T HB    VAL   43 - QG1   VAL   41   8.08 +/- 0.93   2.549% *  0.3979% (0.05 10.00   0.02   1.82) =   0.024%
          HB2   LYS+  99 - QG2   VAL   18  14.22 +/- 4.21   4.852% *  0.1058% (0.14  1.00   0.02   0.02) =   0.012%
          HB3   GLN   17 - QG1   VAL   41  11.31 +/- 3.73  11.701% *  0.0103% (0.01  1.00   0.02   0.02) =   0.003%
          QD    LYS+  81 - QG1   VAL   41  16.51 +/- 4.25   3.113% *  0.0381% (0.05  1.00   0.02   0.02) =   0.003%
          HB3   GLN   17 - QD2   LEU  104  16.35 +/- 4.45   0.560% *  0.1914% (0.25  1.00   0.02   0.02) =   0.003%
          QD    LYS+  81 - QG2   VAL   18  15.94 +/- 2.36   0.319% *  0.1089% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 2.87 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3144 (1.87, 2.23, 47.73 ppm):
    13 chemical-shift based assignments, quality = 0.725, support = 3.27, residual support = 41.1:
      O T HB3   ASP- 105 - HB2   ASP- 105   1.75 +/- 0.00  93.068% * 76.4701% (0.72  10.0 10.00   3.25  41.30) =  98.754%  kept
          QB    LYS+ 106 - HB2   ASP- 105   5.07 +/- 0.32   3.993% * 22.4381% (0.93   1.0  1.00   4.58  22.22) =   1.243%  kept
          HB    ILE  103 - HB2   ASP- 105   8.13 +/- 0.52   0.987% *  0.0687% (0.65   1.0  1.00   0.02   3.39) =   0.001%
        T HB2   MET   92 - HB2   ASP- 105  17.67 +/- 1.45   0.098% *  0.3755% (0.36   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HB2   ASP- 105  17.87 +/- 5.57   0.479% *  0.0647% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP- 105  15.79 +/- 3.91   0.194% *  0.0868% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP- 105  18.20 +/- 2.93   0.163% *  0.0924% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP- 105  20.06 +/- 3.12   0.148% *  0.0966% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ASP- 105  17.38 +/- 4.81   0.474% *  0.0223% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP- 105  18.93 +/- 3.13   0.152% *  0.0526% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP- 105  19.45 +/- 4.47   0.097% *  0.0727% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   ASP- 105  19.73 +/- 2.58   0.080% *  0.0868% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP- 105  21.02 +/- 3.15   0.067% *  0.0727% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3145 (0.25, 2.23, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 1.64, residual support = 4.24:
        T QG2   THR  118 - HB2   ASP- 105   7.58 +/- 6.05 100.000% *100.0000% (0.54 10.00   1.64   4.24) = 100.000%  kept
    Distance limit 3.35 A violated in 11 structures by 4.44 A, kept.
 
    Peak 3146 (0.25, 1.86, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 1.64, residual support = 4.24:
        T QG2   THR  118 - HB3   ASP- 105   7.76 +/- 6.04 100.000% *100.0000% (0.57 10.00   1.64   4.24) = 100.000%  kept
    Distance limit 3.57 A violated in 9 structures by 4.31 A, kept.
 
    Peak 3147 (2.98, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.886, support = 4.74, residual support = 53.2:
          HB2   PHE   97 - HB2   ASP- 105   4.07 +/- 0.49  67.908% * 57.3432% (0.89   4.95  60.54) =  80.857%  kept
          QE    LYS+ 106 - HB2   ASP- 105   6.86 +/- 0.96  21.820% * 42.1919% (0.85   3.84  22.22) =  19.116%  kept
          HB3   PHE   60 - HB2   ASP- 105  14.07 +/- 3.58   3.211% *  0.1778% (0.69   0.02   0.02) =   0.012%
          HB3   TRP   27 - HB2   ASP- 105  18.00 +/- 3.58   2.039% *  0.2260% (0.87   0.02   0.02) =   0.010%
          QE    LYS+  99 - HB2   ASP- 105  10.25 +/- 1.23   5.022% *  0.0611% (0.24   0.02   0.44) =   0.006%
    Distance limit 4.02 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3148 (3.00, 1.86, 47.73 ppm):
    7 chemical-shift based assignments, quality = 0.841, support = 3.82, residual support = 58.4:
        T HB2   PHE   97 - HB3   ASP- 105   3.02 +/- 0.67  77.153% * 67.7091% (0.87 10.00   3.84  60.54) =  94.285%  kept
        T QE    LYS+ 106 - HB3   ASP- 105   7.26 +/- 0.84   9.849% * 32.0903% (0.41 10.00   3.56  22.22) =   5.705%  kept
          QE    LYS+  99 - HB3   ASP- 105   9.06 +/- 1.17   5.074% *  0.0567% (0.73  1.00   0.02   0.44) =   0.005%
          HB3   TRP   27 - HB3   ASP- 105  17.19 +/- 3.77   2.085% *  0.0700% (0.90  1.00   0.02   0.02) =   0.003%
          QE    LYS+ 102 - HB3   ASP- 105  10.93 +/- 1.24   2.951% *  0.0195% (0.25  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HB3   ASP- 105  13.96 +/- 3.40   1.869% *  0.0195% (0.25  1.00   0.02   0.02) =   0.001%
          QE    LYS+  38 - HB3   ASP- 105  16.90 +/- 3.96   1.018% *  0.0350% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 4.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3149 (4.79, 1.86, 47.73 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.17, residual support = 41.3:
      O T HA    ASP- 105 - HB3   ASP- 105   2.95 +/- 0.16  98.571% * 99.8608% (0.87  10.0 10.00   3.17  41.30) =  99.999%  kept
          HB    THR   23 - HB3   ASP- 105  22.53 +/- 4.80   0.462% *  0.0698% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - HB3   ASP- 105  21.62 +/- 2.98   0.335% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB3   ASP- 105  21.12 +/- 4.86   0.632% *  0.0178% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3150 (7.80, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.56, residual support = 41.3:
      O   HN    ASP- 105 - HB3   ASP- 105   2.94 +/- 0.28  99.365% * 99.9603% (0.95  10.0   4.56  41.30) = 100.000%  kept
          HN    ALA   88 - HB3   ASP- 105  17.42 +/- 2.30   0.635% *  0.0397% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3151 (8.99, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 3.8, residual support = 22.2:
          HN    LYS+ 106 - HB3   ASP- 105   3.86 +/- 0.34  93.332% * 99.5389% (0.18   3.80  22.22) =  99.967%  kept
          HN    VAL   41 - HB3   ASP- 105  11.68 +/- 4.32   6.668% *  0.4611% (0.15   0.02   0.02) =   0.033%
    Distance limit 3.96 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3152 (7.13, 2.23, 47.73 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.61, residual support = 60.5:
          QD    PHE   97 - HB2   ASP- 105   3.53 +/- 0.45  97.179% * 99.3506% (0.87   3.61  60.54) =  99.987%  kept
          HZ3   TRP   87 - HB2   ASP- 105  14.41 +/- 3.13   2.267% *  0.5168% (0.82   0.02   0.02) =   0.012%
          HE3   TRP   49 - HB2   ASP- 105  22.99 +/- 4.03   0.554% *  0.1326% (0.21   0.02   0.02) =   0.001%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3153 (7.80, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.895, support = 4.66, residual support = 41.3:
      O   HN    ASP- 105 - HB2   ASP- 105   3.68 +/- 0.22  98.568% * 99.9603% (0.89  10.0   4.66  41.30) =  99.999%  kept
          HN    ALA   88 - HB2   ASP- 105  17.31 +/- 2.48   1.432% *  0.0397% (0.36   1.0   0.02   0.02) =   0.001%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3154 (8.99, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.166, support = 3.78, residual support = 22.2:
          HN    LYS+ 106 - HB2   ASP- 105   2.89 +/- 0.45  97.783% * 99.5360% (0.17   3.78  22.22) =  99.989%  kept
          HN    VAL   41 - HB2   ASP- 105  12.66 +/- 3.96   2.217% *  0.4640% (0.15   0.02   0.02) =   0.011%
    Distance limit 3.50 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3155 (5.30, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.07, residual support = 2.13:
        T HA    MET   96 - HA    LYS+ 106   2.87 +/- 0.78  98.470% * 99.9190% (0.87 10.00   1.07   2.13) =  99.999%  kept
          HA    PHE   72 - HA    LYS+ 106  14.70 +/- 2.06   1.530% *  0.0810% (0.38  1.00   0.02   0.02) =   0.001%
    Distance limit 3.49 A violated in 1 structures by 0.14 A, kept.
 
    Peak 3156 (7.15, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 4.17, residual support = 11.6:
          QD    PHE   97 - HA    LYS+ 106   3.41 +/- 0.68  95.983% * 99.5998% (0.45   4.17  11.55) =  99.983%  kept
          HZ3   TRP   87 - HA    LYS+ 106  11.85 +/- 3.22   4.017% *  0.4002% (0.38   0.02   0.02) =   0.017%
    Distance limit 3.92 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3157 (8.40, 5.63, 56.31 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 3.14, residual support = 11.5:
          HN    PHE   97 - HA    LYS+ 106   3.34 +/- 0.54  94.200% * 91.3808% (0.90   3.15  11.55) =  99.605%  kept
          HN    LEU  115 - HA    LYS+ 106  10.95 +/- 2.48   4.012% *  8.4396% (0.90   0.29   0.02) =   0.392%  kept
          HN    ASP- 113 - HA    LYS+ 106  13.84 +/- 1.85   1.788% *  0.1796% (0.28   0.02   0.02) =   0.004%
    Distance limit 3.79 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3158 (8.98, 5.63, 56.31 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 5.17, residual support = 135.5:
      O   HN    LYS+ 106 - HA    LYS+ 106   2.88 +/- 0.04 100.000% *100.0000% (0.61  10.0   5.17 135.48) = 100.000%  kept
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3159 (9.57, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.58, residual support = 26.7:
      O   HN    VAL  107 - HA    LYS+ 106   2.25 +/- 0.12  99.644% * 99.8992% (0.99  10.0   4.58  26.74) = 100.000%  kept
          HN    GLY   51 - HA    LYS+ 106  18.88 +/- 3.20   0.356% *  0.1008% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3160 (8.99, 1.87, 37.27 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 5.4, residual support = 135.5:
      O   HN    LYS+ 106 - QB    LYS+ 106   2.82 +/- 0.29  98.188% * 99.9120% (0.18  10.0   5.40 135.48) =  99.998%  kept
          HN    VAL   41 - QB    LYS+ 106  12.63 +/- 3.26   1.812% *  0.0880% (0.15   1.0   0.02   0.02) =   0.002%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3161 (9.57, 1.87, 37.27 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 5.13, residual support = 26.7:
          HN    VAL  107 - QB    LYS+ 106   3.25 +/- 0.33  98.029% * 99.6084% (0.99   5.13  26.74) =  99.992%  kept
          HN    GLY   51 - QB    LYS+ 106  17.66 +/- 3.67   1.971% *  0.3916% (1.00   0.02   0.02) =   0.008%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3162 (1.39, 1.87, 37.27 ppm):
    13 chemical-shift based assignments, quality = 0.606, support = 5.94, residual support = 135.4:
      O T HG3   LYS+ 106 - QB    LYS+ 106   2.46 +/- 0.11  88.516% * 94.0497% (0.61  10.0 10.00   5.94 135.48) =  99.917%  kept
        T QB    LEU   98 - QB    LYS+ 106   7.19 +/- 0.80   4.036% *  1.1260% (0.73   1.0 10.00   0.02   0.02) =   0.055%
        T HG3   LYS+ 102 - QB    LYS+ 106  11.32 +/- 0.98   0.965% *  1.2416% (0.80   1.0 10.00   0.02   0.02) =   0.014%
        T HG3   LYS+  65 - QB    LYS+ 106  18.49 +/- 2.68   0.265% *  1.3906% (0.90   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  33 - QB    LYS+ 106  19.46 +/- 2.33   0.200% *  1.4668% (0.95   1.0 10.00   0.02   0.02) =   0.004%
          HB    VAL   42 - QB    LYS+ 106  10.95 +/- 2.55   1.287% *  0.1391% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - QB    LYS+ 106  13.72 +/- 5.97   1.344% *  0.0637% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QB    LYS+ 106  14.55 +/- 2.79   0.631% *  0.1295% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - QB    LYS+ 106  13.87 +/- 1.50   0.535% *  0.1126% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QB    LYS+ 106  15.61 +/- 2.78   0.470% *  0.0695% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 106  23.10 +/- 3.57   0.188% *  0.1467% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 106  10.88 +/- 1.04   1.118% *  0.0210% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+ 106  16.04 +/- 2.78   0.444% *  0.0431% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3163 (1.03, 1.87, 37.27 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 2.7, residual support = 5.88:
          QG2   VAL  108 - QB    LYS+ 106   3.41 +/- 0.39  85.331% * 89.6265% (1.00   2.73   5.96) =  98.756%  kept
          HB2   LEU  104 - QB    LYS+ 106   7.26 +/- 0.49   9.773% *  9.6469% (0.98   0.30   0.02) =   1.217%  kept
          QD1   ILE  119 - QB    LYS+ 106  11.71 +/- 2.45   3.342% *  0.5024% (0.76   0.02   0.02) =   0.022%
          HG3   LYS+ 112 - QB    LYS+ 106  13.73 +/- 1.73   1.553% *  0.2242% (0.34   0.02   0.02) =   0.004%
    Distance limit 3.49 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3164 (1.16, 1.87, 37.27 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 4.59, residual support = 26.5:
          QG2   VAL  107 - QB    LYS+ 106   5.07 +/- 0.46  30.846% * 98.7116% (0.76   4.63  26.74) =  99.236%  kept
          HG13  ILE  103 - QB    LYS+ 106   5.45 +/- 1.38  30.691% *  0.5569% (1.00   0.02   0.02) =   0.557%  kept
          QG2   THR   94 - QB    LYS+ 106   5.22 +/- 1.04  30.784% *  0.1552% (0.28   0.02   0.02) =   0.156%  kept
          HG2   LYS+ 121 - QB    LYS+ 106  14.36 +/- 6.06   3.366% *  0.2936% (0.53   0.02   0.02) =   0.032%
          HB3   LYS+ 112 - QB    LYS+ 106  13.80 +/- 1.61   1.822% *  0.1723% (0.31   0.02   0.02) =   0.010%
          QB    ALA   20 - QB    LYS+ 106  15.44 +/- 3.15   2.491% *  0.1104% (0.20   0.02   0.02) =   0.009%
    Distance limit 3.66 A violated in 0 structures by 0.44 A, kept.
 
    Peak 3165 (7.32, 1.55, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.138, support = 5.12, residual support = 102.9:
          HN    LYS+  81 - QG    LYS+  81   2.71 +/- 0.50  83.712% * 53.6495% (0.13   5.22 105.05) =  97.946%  kept
          QE    PHE   95 - HG2   LYS+ 106   9.42 +/- 1.58   3.030% * 22.1022% (0.34   0.83   0.22) =   1.460%  kept
          HE3   TRP   27 - QG    LYS+  81  15.27 +/- 4.16   1.100% * 10.0014% (0.47   0.28   0.02) =   0.240%  kept
          HN    THR   23 - QG    LYS+  81  14.32 +/- 4.16   1.381% *  4.8400% (0.25   0.25   0.02) =   0.146%  kept
          HE3   TRP   27 - HG2   LYS+  33   8.66 +/- 1.25   3.413% *  1.5143% (0.98   0.02   0.02) =   0.113%  kept
          HN    THR   23 - HG2   LYS+  33  12.29 +/- 1.55   1.230% *  0.8128% (0.53   0.02   0.02) =   0.022%
          HE3   TRP   27 - HG2   LYS+ 106  15.66 +/- 2.62   0.728% *  0.9184% (0.59   0.02   0.02) =   0.015%
          QD    PHE   55 - QG    LYS+  81  18.15 +/- 3.45   0.783% *  0.6997% (0.45   0.02   0.02) =   0.012%
          QE    PHE   95 - QG    LYS+  81  13.78 +/- 2.35   1.126% *  0.4188% (0.27   0.02   0.02) =   0.010%
          QD    PHE   55 - HG2   LYS+ 106  17.45 +/- 2.29   0.427% *  0.8863% (0.57   0.02   0.02) =   0.008%
          QE    PHE   95 - HG2   LYS+  33  19.01 +/- 2.33   0.312% *  0.8747% (0.57   0.02   0.02) =   0.006%
          HN    THR   23 - HG2   LYS+ 106  19.60 +/- 3.37   0.464% *  0.4930% (0.32   0.02   0.02) =   0.005%
          QD    PHE   55 - HG2   LYS+  33  25.89 +/- 3.27   0.155% *  1.4614% (0.95   0.02   0.02) =   0.005%
          HN    LEU   67 - HG2   LYS+  33  16.75 +/- 3.03   0.463% *  0.3057% (0.20   0.02   0.02) =   0.003%
          HN    LYS+  81 - HG2   LYS+  33  21.34 +/- 5.01   0.319% *  0.4295% (0.28   0.02   0.02) =   0.003%
          HN    LYS+  81 - HG2   LYS+ 106  18.99 +/- 3.36   0.427% *  0.2605% (0.17   0.02   0.02) =   0.002%
          HN    LEU   67 - HG2   LYS+ 106  18.99 +/- 3.70   0.565% *  0.1854% (0.12   0.02   0.02) =   0.002%
          HN    LEU   67 - QG    LYS+  81  19.88 +/- 2.45   0.367% *  0.1464% (0.09   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3166 (8.00, 1.55, 25.23 ppm):
    9 chemical-shift based assignments, quality = 0.276, support = 0.603, residual support = 1.18:
          HN    GLU-  79 - QG    LYS+  81   6.39 +/- 1.36  46.013% * 78.4130% (0.27   0.63   1.23) =  96.144%  kept
          HN    VAL   70 - HG2   LYS+  33  14.02 +/- 3.16  11.104% *  4.4958% (0.49   0.02   0.02) =   1.330%  kept
          HN    GLU-  79 - HG2   LYS+  33  19.18 +/- 3.99   8.054% *  5.2292% (0.57   0.02   0.02) =   1.122%  kept
          HN    THR   94 - HG2   LYS+ 106  10.53 +/- 1.23  14.282% *  1.1086% (0.12   0.02   0.02) =   0.422%  kept
          HN    GLU-  79 - HG2   LYS+ 106  18.33 +/- 3.29   3.279% *  3.1714% (0.34   0.02   0.02) =   0.277%  kept
          HN    THR   94 - QG    LYS+  81  12.19 +/- 2.26   8.664% *  0.8751% (0.09   0.02   0.02) =   0.202%  kept
          HN    VAL   70 - HG2   LYS+ 106  18.81 +/- 3.72   2.521% *  2.7266% (0.30   0.02   0.02) =   0.183%  kept
          HN    THR   94 - HG2   LYS+  33  21.17 +/- 2.70   3.369% *  1.8279% (0.20   0.02   0.02) =   0.164%  kept
          HN    VAL   70 - QG    LYS+  81  20.80 +/- 3.43   2.714% *  2.1525% (0.23   0.02   0.02) =   0.156%  kept
    Distance limit 4.02 A violated in 12 structures by 2.05 A, kept.
 
    Peak 3167 (5.66, 1.37, 25.37 ppm):
    4 chemical-shift based assignments, quality = 0.175, support = 5.66, residual support = 135.5:
      O   HA    LYS+ 106 - HG3   LYS+ 106   2.47 +/- 0.55  98.220% * 99.8764% (0.18  10.0   5.66 135.48) =  99.999%  kept
          HA    LYS+ 106 - HG3   LYS+  65  18.65 +/- 2.89   0.597% *  0.0419% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  33  20.54 +/- 2.19   0.315% *  0.0635% (0.11   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+ 102  13.35 +/- 0.78   0.868% *  0.0182% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3168 (3.19, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 4.24, residual support = 47.0:
        T HB2   PHE   95 - HB    VAL  107   2.43 +/- 0.43 100.000% *100.0000% (0.69 10.00   4.24  46.96) = 100.000%  kept
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3169 (1.15, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.72, support = 3.2, residual support = 60.2:
      O T QG2   VAL  107 - HB    VAL  107   2.12 +/- 0.02  95.704% * 99.7352% (0.72  10.0 10.00   3.20  60.19) =  99.998%  kept
          HG2   LYS+ 121 - HB    VAL  107  14.11 +/- 5.98   0.711% *  0.0971% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HB    VAL  107  10.63 +/- 1.13   0.836% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HB    VAL  107  10.41 +/- 4.33   1.980% *  0.0199% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL  107  16.09 +/- 3.39   0.538% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.48 +/- 2.80   0.230% *  0.0176% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3171 (1.10, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.712, support = 3.9, residual support = 60.2:
      O T QG1   VAL  107 - HB    VAL  107   2.12 +/- 0.02  94.477% * 99.5954% (0.71  10.0 10.00   3.90  60.19) =  99.996%  kept
          HD3   LYS+ 112 - HB    VAL  107  11.29 +/- 2.77   2.386% *  0.0849% (0.61   1.0  1.00   0.02   0.02) =   0.002%
        T QG2   VAL   24 - HB    VAL  107  16.02 +/- 2.40   0.367% *  0.1779% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HB    VAL  107  16.77 +/- 3.03   0.556% *  0.0938% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HB    VAL  107  10.41 +/- 4.33   1.990% *  0.0226% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.48 +/- 2.80   0.224% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3172 (0.59, 2.40, 36.05 ppm):
    7 chemical-shift based assignments, quality = 0.636, support = 0.688, residual support = 5.64:
          QD2   LEU  115 - HB    VAL  107   6.72 +/- 3.62  33.778% * 74.8355% (0.67   0.75   6.48) =  87.105%  kept
          QD2   LEU   63 - HB    VAL  107   9.71 +/- 2.82  16.747% * 16.9636% (0.33   0.35   0.02) =   9.789%  kept
          QD1   LEU   63 - HB    VAL  107   9.09 +/- 2.69  17.302% *  2.1190% (0.71   0.02   0.02) =   1.263%  kept
          QD1   LEU   73 - HB    VAL  107  13.00 +/- 3.74  13.641% *  2.1190% (0.71   0.02   0.02) =   0.996%  kept
          QD1   LEU  104 - HB    VAL  107  10.07 +/- 1.01   9.880% *  1.4850% (0.50   0.02   0.02) =   0.506%  kept
          QD2   LEU   80 - HB    VAL  107  16.43 +/- 2.66   3.741% *  1.9388% (0.65   0.02   0.02) =   0.250%  kept
          QG1   VAL   83 - HB    VAL  107  14.85 +/- 1.88   4.911% *  0.5391% (0.18   0.02   0.02) =   0.091%
    Distance limit 4.03 A violated in 5 structures by 1.22 A, kept.
 
    Peak 3173 (7.03, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.83, residual support = 47.0:
          QD    PHE   95 - HB    VAL  107   2.70 +/- 0.68  98.592% * 99.8327% (0.63   3.83  46.96) =  99.998%  kept
          HN    ALA   47 - HB    VAL  107  12.89 +/- 1.99   1.408% *  0.1673% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3174 (7.15, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.325, support = 1.74, residual support = 5.55:
          QD    PHE   97 - HB    VAL  107   5.46 +/- 0.92  93.460% * 99.0454% (0.33   1.74   5.55) =  99.933%  kept
          HZ3   TRP   87 - HB    VAL  107  14.44 +/- 2.14   6.540% *  0.9546% (0.27   0.02   0.02) =   0.067%
    Distance limit 3.86 A violated in 10 structures by 1.60 A, kept.
 
    Peak 3175 (9.57, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.72, support = 3.33, residual support = 60.2:
      O   HN    VAL  107 - HB    VAL  107   2.47 +/- 0.16  99.339% * 99.8992% (0.72  10.0   3.33  60.19) =  99.999%  kept
          HN    GLY   51 - HB    VAL  107  16.04 +/- 3.01   0.661% *  0.1008% (0.73   1.0   0.02   0.02) =   0.001%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3176 (9.86, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.47, support = 3.72, residual support = 47.0:
          HN    PHE   95 - HB    VAL  107   3.84 +/- 0.57 100.000% *100.0000% (0.47   3.72  46.96) = 100.000%  kept
    Distance limit 4.24 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3177 (1.15, 1.09, 22.46 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 4.36, residual support = 60.2:
      O   QG2   VAL  107 - QG1   VAL  107   2.03 +/- 0.07  88.945% * 99.3136% (0.99  10.0  1.00   4.36  60.19) =  99.988%  kept
        T HG13  ILE  119 - QG1   VAL  107   8.00 +/- 3.64   3.815% *  0.1983% (0.20   1.0 10.00   0.02   0.02) =   0.009%
          HG2   LYS+ 121 - QG1   VAL  107  10.97 +/- 5.12   1.455% *  0.0967% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  103 - QG1   VAL  107   9.99 +/- 1.03   0.850% *  0.0648% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   31 - QG1   VAL  107  16.48 +/- 2.34   0.243% *  0.1755% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG1   VAL  107  14.28 +/- 2.90   0.603% *  0.0648% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   24   9.28 +/- 0.59   1.013% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QG2   VAL   24  13.57 +/- 4.36   0.933% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   24  13.81 +/- 2.18   0.412% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   VAL   24   8.40 +/- 0.59   1.318% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   24  20.63 +/- 4.92   0.200% *  0.0230% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   24  18.42 +/- 3.56   0.213% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3178 (2.39, 1.09, 22.46 ppm):
    14 chemical-shift based assignments, quality = 0.647, support = 3.9, residual support = 60.2:
      O T HB    VAL  107 - QG1   VAL  107   2.12 +/- 0.02  83.207% * 99.1597% (0.65  10.0 10.00   3.90  60.19) =  99.992%  kept
          QE    LYS+ 112 - QG1   VAL  107   7.98 +/- 2.16   4.972% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  79 - QG2   VAL   24   9.69 +/- 4.20   3.793% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - QG1   VAL  107   7.62 +/- 2.75   2.863% *  0.0268% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL  107 - QG2   VAL   24  16.02 +/- 2.40   0.323% *  0.2357% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - QG1   VAL  107   8.98 +/- 1.18   1.465% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - QG1   VAL  107  15.56 +/- 2.11   0.278% *  0.1280% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG1   VAL  107  18.99 +/- 2.46   0.202% *  0.1529% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG2   VAL   24  10.16 +/- 0.89   0.842% *  0.0363% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 112 - QG2   VAL   24  18.49 +/- 3.79   0.220% *  0.0908% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL   24  15.99 +/- 4.90   1.018% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG1   VAL  107  16.70 +/- 1.42   0.187% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG2   VAL   24  12.80 +/- 2.72   0.497% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QG2   VAL   24  21.00 +/- 3.73   0.133% *  0.0064% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3179 (2.39, 1.15, 21.16 ppm):
    7 chemical-shift based assignments, quality = 0.646, support = 3.2, residual support = 60.1:
      O T HB    VAL  107 - QG2   VAL  107   2.12 +/- 0.02  80.096% * 99.2330% (0.65  10.0 10.00   3.20  60.19) =  99.926%  kept
        T QE    LYS+ 112 - QG2   VAL  107   7.73 +/- 2.53  14.863% *  0.3825% (0.25   1.0 10.00   0.02   0.02) =   0.071%
          HB3   PHE   45 - QG2   VAL  107   7.97 +/- 1.39   2.163% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - QG2   VAL  107   8.30 +/- 2.88   2.061% *  0.0269% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - QG2   VAL  107  14.43 +/- 2.26   0.407% *  0.1281% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   32 - QG2   VAL  107  18.90 +/- 2.90   0.235% *  0.1531% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL  107  16.72 +/- 1.26   0.175% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3180 (2.01, 1.15, 21.16 ppm):
    12 chemical-shift based assignments, quality = 0.646, support = 0.981, residual support = 3.96:
        T QB    GLU- 114 - QG2   VAL  107   5.46 +/- 2.06  36.612% * 97.4478% (0.65 10.00   0.99   3.98) =  99.490%  kept
          HB2   LYS+ 111 - QG2   VAL  107   6.94 +/- 2.70  23.869% *  0.3029% (0.99  1.00   0.02   0.02) =   0.202%  kept
        T HB    ILE  119 - QG2   VAL  107   9.18 +/- 3.76  11.484% *  0.5352% (0.18 10.00   0.02   0.02) =   0.171%  kept
          HB3   PRO   68 - QG2   VAL  107  16.81 +/- 2.70   4.188% *  0.2447% (0.80  1.00   0.02   0.02) =   0.029%
          HG2   PRO   68 - QG2   VAL  107  15.69 +/- 3.35   5.779% *  0.1488% (0.49  1.00   0.02   0.02) =   0.024%
          HB2   GLN   17 - QG2   VAL  107  18.53 +/- 3.61   2.682% *  0.3056% (1.00  1.00   0.02   0.02) =   0.023%
          HB    ILE   19 - QG2   VAL  107  16.92 +/- 2.63   3.148% *  0.1730% (0.57  1.00   0.02   0.02) =   0.015%
          QB    GLU-  15 - QG2   VAL  107  19.34 +/- 2.81   1.577% *  0.3056% (1.00  1.00   0.02   0.02) =   0.013%
          HB3   GLU-  25 - QG2   VAL  107  20.48 +/- 2.91   1.457% *  0.2891% (0.95  1.00   0.02   0.02) =   0.012%
          HG3   GLN   30 - QG2   VAL  107  17.74 +/- 2.51   3.008% *  0.1256% (0.41  1.00   0.02   0.02) =   0.011%
          HB3   GLU- 100 - QG2   VAL  107  17.07 +/- 1.01   3.147% *  0.0680% (0.22  1.00   0.02   0.02) =   0.006%
          HB2   GLN   30 - QG2   VAL  107  16.91 +/- 2.33   3.050% *  0.0535% (0.18  1.00   0.02   0.02) =   0.005%
    Distance limit 3.00 A violated in 10 structures by 1.93 A, kept.
 
    Peak 3181 (0.59, 1.09, 22.46 ppm):
    14 chemical-shift based assignments, quality = 0.649, support = 1.46, residual support = 3.01:
          QD2   LEU  115 - QG1   VAL  107   5.09 +/- 2.91  18.345% * 20.0630% (0.92  1.00   2.60   6.48) =  34.871%  kept
        T QD1   LEU   73 - QG2   VAL   24   5.98 +/- 1.93  13.330% * 23.2996% (0.23 10.00   1.20   1.87) =  29.426%  kept
        T QD1   LEU   63 - QG1   VAL  107   7.77 +/- 2.28   6.067% * 40.5917% (0.98 10.00   0.49   0.02) =  23.331%  kept
        T QD1   LEU   63 - QG2   VAL   24  12.45 +/- 3.21   7.013% *  6.9563% (0.23 10.00   0.36   0.02) =   4.622%  kept
          QD2   LEU   80 - QG2   VAL   24   8.68 +/- 5.99  17.801% *  2.5182% (0.21  1.00   1.41   4.33) =   4.247%  kept
        T QG1   VAL   83 - QG2   VAL   24   7.78 +/- 5.64  15.277% *  1.3825% (0.06 10.00   0.28   0.61) =   2.001%  kept
        T QD1   LEU   73 - QG1   VAL  107  11.87 +/- 3.24   3.674% *  1.6401% (0.98 10.00   0.02   0.02) =   0.571%  kept
        T QD2   LEU   63 - QG1   VAL  107   8.29 +/- 2.41   3.743% *  0.7502% (0.45 10.00   0.02   0.02) =   0.266%  kept
        T QD1   LEU  104 - QG2   VAL   24  12.56 +/- 4.03   8.832% *  0.2731% (0.16 10.00   0.02   0.02) =   0.229%  kept
        T QD1   LEU  104 - QG1   VAL  107   8.94 +/- 1.13   1.977% *  1.1494% (0.69 10.00   0.02   0.02) =   0.215%  kept
        T QD2   LEU   63 - QG2   VAL   24  13.08 +/- 2.92   2.695% *  0.7721% (0.11 10.00   0.09   0.02) =   0.197%  kept
        T QG1   VAL   83 - QG1   VAL  107  13.69 +/- 1.74   0.428% *  0.4172% (0.25 10.00   0.02   0.02) =   0.017%
          QD2   LEU   80 - QG1   VAL  107  14.92 +/- 2.43   0.362% *  0.1501% (0.90  1.00   0.02   0.02) =   0.005%
          QD2   LEU  115 - QG2   VAL   24  15.21 +/- 3.02   0.457% *  0.0367% (0.22  1.00   0.02   0.02) =   0.002%
    Distance limit 2.91 A violated in 0 structures by 0.27 A, kept.
 
    Peak 3182 (0.46, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.377, support = 1.05, residual support = 6.4:
          QD1   LEU  115 - QG2   VAL  107   4.75 +/- 3.13  71.469% * 97.2459% (0.38   1.07   6.48) =  98.882%  kept
          QG1   VAL   75 - QG2   VAL  107   9.27 +/- 1.68  28.531% *  2.7541% (0.57   0.02   0.02) =   1.118%  kept
    Distance limit 3.70 A violated in 4 structures by 1.07 A, kept.
 
    Peak 3183 (0.70, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.846, support = 0.02, residual support = 0.02:
          QD1   LEU   98 - QG2   VAL  107   9.55 +/- 1.04  74.054% * 58.0948% (0.90   0.02   0.02) =  79.826%  kept
          QG2   ILE   19 - QG2   VAL  107  14.88 +/- 2.42  25.946% * 41.9052% (0.65   0.02   0.02) =  20.174%  kept
    Distance limit 3.37 A violated in 20 structures by 5.97 A, eliminated.
    Peak unassigned.
 
    Peak 3184 (4.50, 1.15, 21.16 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 3.63, residual support = 60.2:
      O T HA    VAL  107 - QG2   VAL  107   2.62 +/- 0.33  84.791% * 99.4123% (0.45  10.0 10.00   3.63  60.19) =  99.980%  kept
          HA    LYS+ 111 - QG2   VAL  107   6.69 +/- 2.05   9.667% *  0.0756% (0.34   1.0  1.00   0.02   0.02) =   0.009%
          HA    PRO   52 - QG2   VAL  107  12.44 +/- 3.01   2.737% *  0.1923% (0.87   1.0  1.00   0.02   0.02) =   0.006%
          HA    ALA   91 - QG2   VAL  107  10.78 +/- 1.93   2.312% *  0.1345% (0.61   1.0  1.00   0.02   0.02) =   0.004%
          HA    TRP   27 - QG2   VAL  107  16.46 +/- 2.40   0.493% *  0.1852% (0.84   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3185 (2.07, 1.09, 22.46 ppm):
    20 chemical-shift based assignments, quality = 0.39, support = 3.0, residual support = 12.9:
          HB    VAL  108 - QG1   VAL  107   5.50 +/- 0.55  26.200% * 54.8546% (0.45  1.00   4.31  19.67) =  65.410%  kept
        T HB    ILE  119 - QG1   VAL  107   8.35 +/- 3.87  18.388% * 38.1513% (0.25 10.00   0.54   0.02) =  31.927%  kept
          HG2   PRO   58 - QG1   VAL  107  10.66 +/- 3.86  11.946% *  4.0411% (0.65  1.00   0.22   0.02) =   2.197%  kept
          HB2   PRO   93 - QG1   VAL  107   7.39 +/- 1.36  13.515% *  0.4741% (0.84  1.00   0.02   0.02) =   0.292%  kept
          HG3   PRO   52 - QG1   VAL  107  13.01 +/- 3.31   4.224% *  0.3672% (0.65  1.00   0.02   0.02) =   0.071%
          HB2   ARG+  54 - QG1   VAL  107  13.36 +/- 2.32   2.285% *  0.2986% (0.53  1.00   0.02   0.02) =   0.031%
          HB2   GLN   30 - QG2   VAL   24   8.22 +/- 0.73   7.523% *  0.0336% (0.06  1.00   0.02   0.02) =   0.012%
          HG2   PRO   58 - QG2   VAL   24  18.57 +/- 4.20   2.024% *  0.0873% (0.15  1.00   0.02   0.02) =   0.008%
          HB2   PRO   93 - QG2   VAL   24  15.81 +/- 2.21   1.296% *  0.1127% (0.20  1.00   0.02   0.02) =   0.007%
          HB2   GLU-  14 - QG1   VAL  107  23.58 +/- 2.29   0.352% *  0.4121% (0.73  1.00   0.02   0.02) =   0.007%
          HB2   ARG+  54 - QG2   VAL   24  19.82 +/- 4.19   1.903% *  0.0710% (0.13  1.00   0.02   0.02) =   0.006%
          HB2   GLN   30 - QG1   VAL  107  17.27 +/- 1.67   0.841% *  0.1415% (0.25  1.00   0.02   0.02) =   0.005%
          HB3   GLU- 100 - QG2   VAL   24  15.91 +/- 4.94   4.346% *  0.0267% (0.05  1.00   0.02   0.02) =   0.005%
          HB3   GLU- 100 - QG1   VAL  107  17.08 +/- 1.21   0.862% *  0.1123% (0.20  1.00   0.02   0.02) =   0.004%
          HG2   MET   11 - QG1   VAL  107  29.07 +/- 3.85   0.213% *  0.4337% (0.76  1.00   0.02   0.02) =   0.004%
          HB2   GLU-  14 - QG2   VAL   24  18.07 +/- 2.70   0.867% *  0.0979% (0.17  1.00   0.02   0.02) =   0.004%
          HB    VAL  108 - QG2   VAL   24  17.23 +/- 3.09   1.138% *  0.0605% (0.11  1.00   0.02   0.02) =   0.003%
          HG3   PRO   52 - QG2   VAL   24  20.31 +/- 3.41   0.697% *  0.0873% (0.15  1.00   0.02   0.02) =   0.003%
          HG2   MET   11 - QG2   VAL   24  22.66 +/- 4.06   0.537% *  0.1031% (0.18  1.00   0.02   0.02) =   0.003%
          HB    ILE  119 - QG2   VAL   24  19.89 +/- 3.76   0.844% *  0.0336% (0.06  1.00   0.02   0.02) =   0.001%
    Distance limit 3.37 A violated in 6 structures by 1.37 A, kept.
 
    Peak 3186 (4.14, 1.09, 22.46 ppm):
    16 chemical-shift based assignments, quality = 0.8, support = 1.49, residual support = 6.91:
          HA    LEU  115 - QG1   VAL  107   4.14 +/- 3.62  42.777% * 33.6136% (0.90   1.29   6.48) =  61.182%  kept
          HA    GLU- 114 - QG1   VAL  107   5.76 +/- 2.37  11.882% * 47.6070% (0.92   1.78   3.98) =  24.069%  kept
          HA    ASN   28 - QG2   VAL   24   4.66 +/- 0.37  26.125% * 11.7971% (0.21   1.97  14.83) =  13.114%  kept
          HA    THR   26 - QG2   VAL   24   6.34 +/- 0.22   9.026% *  4.0371% (0.14   0.97   2.73) =   1.550%  kept
          HA1   GLY  101 - QG2   VAL   24  14.83 +/- 4.70   4.452% *  0.1366% (0.24   0.02   0.02) =   0.026%
          HA1   GLY  101 - QG1   VAL  107  16.21 +/- 1.06   0.526% *  0.5750% (0.99   0.02   0.02) =   0.013%
          HA    ALA   34 - QG1   VAL  107  18.10 +/- 1.95   0.403% *  0.5686% (0.98   0.02   0.02) =   0.010%
          HA    ASN   28 - QG1   VAL  107  17.45 +/- 2.06   0.445% *  0.5032% (0.87   0.02   0.02) =   0.010%
          HA    ARG+  54 - QG1   VAL  107  12.41 +/- 2.50   0.990% *  0.1979% (0.34   0.02   0.02) =   0.008%
          HA    ALA   34 - QG2   VAL   24  12.42 +/- 0.87   1.161% *  0.1351% (0.23   0.02   0.02) =   0.007%
          HA    THR   26 - QG1   VAL  107  20.37 +/- 2.17   0.256% *  0.3519% (0.61   0.02   0.02) =   0.004%
          HA    GLU- 114 - QG2   VAL   24  21.13 +/- 3.52   0.458% *  0.1273% (0.22   0.02   0.02) =   0.002%
          HA    ALA  124 - QG1   VAL  107  15.84 +/- 4.03   0.371% *  0.1447% (0.25   0.02   0.02) =   0.002%
          HA    LEU  115 - QG2   VAL   24  18.56 +/- 2.93   0.402% *  0.1236% (0.21   0.02   0.02) =   0.002%
          HA    ARG+  54 - QG2   VAL   24  18.74 +/- 4.29   0.453% *  0.0470% (0.08   0.02   0.02) =   0.001%
          HA    ALA  124 - QG2   VAL   24  24.31 +/- 5.14   0.274% *  0.0344% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.27 A, kept.
 
    Peak 3187 (4.50, 1.09, 22.46 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 4.6, residual support = 60.1:
      O T HA    VAL  107 - QG1   VAL  107   2.27 +/- 0.23  83.092% * 95.8600% (0.45  10.0 10.00   4.60  60.19) =  99.753%  kept
          HA    TRP   27 - QG2   VAL   24   5.74 +/- 0.38   5.741% *  3.2533% (0.20   1.0  1.00   1.53  26.67) =   0.234%  kept
          HA    LYS+ 111 - QG1   VAL  107   6.81 +/- 1.45   7.829% *  0.0729% (0.34   1.0  1.00   0.02   0.02) =   0.007%
          HA    ALA   91 - QG1   VAL  107  11.67 +/- 1.86   1.372% *  0.1297% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HA    PRO   52 - QG1   VAL  107  12.87 +/- 2.55   0.739% *  0.1855% (0.87   1.0  1.00   0.02   0.02) =   0.002%
        T HA    VAL  107 - QG2   VAL   24  17.14 +/- 2.64   0.282% *  0.2278% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HA    TRP   27 - QG1   VAL  107  16.99 +/- 1.80   0.263% *  0.1786% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   91 - QG2   VAL   24  16.31 +/- 3.12   0.321% *  0.0308% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   VAL   24  20.46 +/- 3.34   0.207% *  0.0441% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QG2   VAL   24  20.89 +/- 3.04   0.154% *  0.0173% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3188 (7.17, 1.09, 22.46 ppm):
    8 chemical-shift based assignments, quality = 0.145, support = 3.26, residual support = 24.6:
          HD1   TRP   27 - QG2   VAL   24   2.14 +/- 0.46  79.450% * 65.2875% (0.12   3.52  26.67) =  92.110%  kept
          QD    PHE   59 - QG1   VAL  107   6.31 +/- 3.01  17.169% * 25.6269% (0.49   0.33   0.38) =   7.813%  kept
          HH2   TRP   49 - QG1   VAL  107  13.46 +/- 2.96   0.635% *  3.0976% (0.97   0.02   0.02) =   0.035%
          HE21  GLN   30 - QG2   VAL   24   9.72 +/- 1.47   1.252% *  0.6372% (0.20   0.02   0.02) =   0.014%
          HE21  GLN   30 - QG1   VAL  107  17.46 +/- 2.43   0.257% *  2.6810% (0.84   0.02   0.02) =   0.012%
          HD1   TRP   27 - QG1   VAL  107  16.57 +/- 2.03   0.287% *  1.5624% (0.49   0.02   0.02) =   0.008%
          QD    PHE   59 - QG2   VAL   24  15.48 +/- 3.21   0.764% *  0.3713% (0.12   0.02   0.02) =   0.005%
          HH2   TRP   49 - QG2   VAL   24  19.82 +/- 2.82   0.186% *  0.7362% (0.23   0.02   0.02) =   0.002%
    Distance limit 3.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3189 (7.02, 1.15, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 4.42, residual support = 47.0:
          QD    PHE   95 - QG2   VAL  107   2.42 +/- 0.57  94.158% * 99.5523% (0.95   4.42  46.96) =  99.986%  kept
          HN    ALA   47 - QG2   VAL  107  10.73 +/- 2.12   2.810% *  0.3642% (0.76   0.02   0.02) =   0.011%
          QE    PHE   72 - QG2   VAL  107  10.18 +/- 1.69   3.032% *  0.0835% (0.18   0.02   0.02) =   0.003%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3190 (8.40, 1.15, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.871, support = 1.32, residual support = 6.09:
          HN    LEU  115 - QG2   VAL  107   5.58 +/- 2.92  49.149% * 73.8182% (0.90   1.50   6.48) =  83.579%  kept
          HN    PHE   97 - QG2   VAL  107   6.66 +/- 1.00  32.259% * 16.5388% (0.90   0.34   5.55) =  12.291%  kept
          HN    ASP- 113 - QG2   VAL  107   7.81 +/- 2.22  18.592% *  9.6430% (0.28   0.63   0.02) =   4.130%  kept
    Distance limit 3.92 A violated in 4 structures by 0.73 A, kept.
 
    Peak 3191 (9.15, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 3.63, residual support = 19.6:
          HN    VAL  108 - QG2   VAL  107   3.57 +/- 0.50  79.250% * 99.3370% (0.57   3.64  19.67) =  99.826%  kept
          HN    VAL   43 - QG2   VAL  107   8.66 +/- 2.23  20.750% *  0.6630% (0.69   0.02   0.02) =   0.174%  kept
    Distance limit 3.47 A violated in 0 structures by 0.20 A, kept.
 
    Peak 3192 (9.57, 1.09, 22.46 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 4.13, residual support = 60.2:
          HN    VAL  107 - QG1   VAL  107   3.40 +/- 0.43  94.174% * 99.2863% (0.99   4.14  60.19) =  99.983%  kept
          HN    GLY   51 - QG1   VAL  107  13.77 +/- 2.40   2.571% *  0.4844% (1.00   0.02   0.02) =   0.013%
          HN    VAL  107 - QG2   VAL   24  15.24 +/- 2.60   2.162% *  0.1141% (0.24   0.02   0.02) =   0.003%
          HN    GLY   51 - QG2   VAL   24  18.83 +/- 3.11   1.093% *  0.1151% (0.24   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 0 structures by 0.20 A, kept.
 
    Peak 3193 (9.18, 1.09, 22.46 ppm):
    2 chemical-shift based assignments, quality = 0.609, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG1   VAL  107   9.03 +/- 1.57  57.692% * 80.7980% (0.69   0.02   0.02) =  85.159%  kept
          HN    VAL   43 - QG2   VAL   24  10.65 +/- 2.52  42.308% * 19.2020% (0.16   0.02   0.02) =  14.841%  kept
    Distance limit 3.54 A violated in 19 structures by 4.58 A, eliminated.
    Peak unassigned.
 
    Peak 3194 (8.75, 3.67, 43.34 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 2.2, residual support = 6.4:
      O   HN    ALA  110 - HA2   GLY  109   2.84 +/- 0.36  98.028% * 99.9027% (0.99  10.0   2.20   6.40) =  99.998%  kept
          HN    PHE   45 - HA2   GLY  109  11.90 +/- 2.00   1.972% *  0.0973% (0.97   1.0   0.02   0.02) =   0.002%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3195 (8.62, 3.67, 43.34 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 2.2, residual support = 9.32:
      O   HN    GLY  109 - HA2   GLY  109   2.68 +/- 0.29  97.573% * 99.5895% (0.53  10.0   2.20   9.32) =  99.996%  kept
          HN    GLN   90 - HA2   GLY  109  11.92 +/- 2.65   1.819% *  0.1791% (0.95   1.0   0.02   0.02) =   0.003%
          HN    ILE  103 - HA2   GLY  109  18.78 +/- 1.06   0.323% *  0.1893% (1.00   1.0   0.02   0.02) =   0.001%
          HN    SER   82 - HA2   GLY  109  21.44 +/- 3.92   0.285% *  0.0421% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3196 (9.15, 2.05, 32.95 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.71, residual support = 65.0:
      O   HN    VAL  108 - HB    VAL  108   2.84 +/- 0.51  97.980% * 99.8788% (0.57  10.0   4.71  65.03) =  99.997%  kept
          HN    VAL   43 - HB    VAL  108  12.40 +/- 1.94   2.020% *  0.1212% (0.69   1.0   0.02   0.02) =   0.003%
    Distance limit 3.25 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3197 (8.63, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.141, support = 3.07, residual support = 7.37:
          HN    GLY  109 - QG1   VAL  108   2.80 +/- 0.38  82.437% * 89.7978% (0.14   3.09   7.43) =  99.147%  kept
          HN    GLN   90 - QG1   VAL  108   8.77 +/- 2.80  15.839% *  3.7237% (0.87   0.02   0.02) =   0.790%  kept
          HN    ILE  103 - QG1   VAL  108  13.13 +/- 1.26   0.888% *  2.9488% (0.69   0.02   0.02) =   0.035%
          HN    SER   82 - QG1   VAL  108  16.59 +/- 3.09   0.665% *  2.9488% (0.69   0.02   0.02) =   0.026%
          HN    GLY   16 - QG1   VAL  108  23.57 +/- 3.51   0.172% *  0.5810% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3198 (9.15, 0.89, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.52, residual support = 65.0:
          HN    VAL  108 - QG1   VAL  108   3.56 +/- 0.14  96.848% * 99.4659% (0.57   4.52  65.03) =  99.983%  kept
          HN    VAL   43 - QG1   VAL  108  11.78 +/- 1.52   3.152% *  0.5341% (0.69   0.02   0.02) =   0.017%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3199 (9.15, 1.03, 20.80 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.08, residual support = 65.0:
          HN    VAL  108 - QG2   VAL  108   2.75 +/- 0.65  96.624% * 99.4083% (0.57   4.08  65.03) =  99.979%  kept
          HN    VAL   43 - QG2   VAL  108  10.21 +/- 1.85   3.376% *  0.5917% (0.69   0.02   0.02) =   0.021%
    Distance limit 3.33 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3200 (8.65, 1.03, 20.80 ppm):
    3 chemical-shift based assignments, quality = 0.79, support = 0.02, residual support = 0.02:
          HN    SER  117 - QG2   VAL  108  10.63 +/- 2.18  62.764% * 32.6470% (0.80   0.02   0.02) =  64.187%  kept
          HN    SER   82 - QG2   VAL  108  16.12 +/- 2.78  28.383% * 28.0060% (0.69   0.02   0.02) =  24.901%  kept
          HN    GLY   16 - QG2   VAL  108  22.11 +/- 3.17   8.853% * 39.3470% (0.97   0.02   0.02) =  10.912%  kept
    Distance limit 4.37 A violated in 20 structures by 5.78 A, eliminated.
    Peak unassigned.
 
    Peak 3201 (5.58, 0.89, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 0.02, residual support = 0.02:
          HA    LEU   73 - QG1   VAL  108  17.26 +/- 2.38 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 3.93 A violated in 20 structures by 13.33 A, eliminated.
    Peak unassigned.
 
    Peak 3202 (5.60, 1.03, 20.80 ppm):
    1 chemical-shift based assignment, quality = 0.278, support = 1.42, residual support = 5.96:
          HA    LYS+ 106 - QG2   VAL  108   5.07 +/- 0.28 100.000% *100.0000% (0.28   1.42   5.96) = 100.000%  kept
    Distance limit 4.08 A violated in 1 structures by 0.98 A, kept.
 
    Peak 3203 (1.35, 1.53, 33.52 ppm):
    14 chemical-shift based assignments, quality = 0.684, support = 6.56, residual support = 313.5:
      O   HG2   LYS+ 111 - HB3   LYS+ 111   2.43 +/- 0.16  81.041% * 93.1002% (0.69  10.0  1.00   6.57 314.87) =  99.516%  kept
          HB2   LYS+ 112 - HB3   LYS+ 111   6.03 +/- 0.87   6.629% *  5.3100% (0.18   1.0  1.00   4.47  28.75) =   0.464%  kept
          HB3   PRO   93 - HB3   LYS+ 111   9.10 +/- 3.54   9.282% *  0.1085% (0.80   1.0  1.00   0.02   0.02) =   0.013%
        T HG3   LYS+ 106 - HB3   LYS+ 111  13.92 +/- 2.83   0.639% *  0.3380% (0.25   1.0 10.00   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HB3   LYS+ 111  14.28 +/- 3.23   0.703% *  0.1352% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HB3   LYS+ 111  15.72 +/- 2.38   0.422% *  0.1308% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HB3   LYS+ 111  15.98 +/- 2.88   0.435% *  0.1132% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HB3   LYS+ 111  18.68 +/- 1.45   0.191% *  0.1329% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 111  20.22 +/- 3.20   0.177% *  0.1251% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+ 111  22.56 +/- 4.34   0.146% *  0.1216% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB3   LYS+ 111  24.36 +/- 2.93   0.095% *  0.1834% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+ 111  26.32 +/- 3.65   0.087% *  0.1036% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LYS+ 111  24.20 +/- 3.29   0.099% *  0.0557% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LYS+ 111  29.17 +/- 2.89   0.055% *  0.0418% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3204 (1.16, 1.53, 33.52 ppm):
    6 chemical-shift based assignments, quality = 0.315, support = 3.59, residual support = 28.3:
          HB3   LYS+ 112 - HB3   LYS+ 111   5.36 +/- 1.44  46.776% * 88.2454% (0.31  1.00   3.65  28.75) =  98.413%  kept
          QG2   VAL  107 - HB3   LYS+ 111   6.58 +/- 3.15  45.264% *  1.1979% (0.76  1.00   0.02   0.02) =   1.293%  kept
        T HG2   LYS+ 121 - HB3   LYS+ 111  16.87 +/- 2.56   1.028% *  8.2467% (0.53 10.00   0.02   0.02) =   0.202%  kept
          QG2   THR   94 - HB3   LYS+ 111   9.92 +/- 1.89   5.490% *  0.4358% (0.28  1.00   0.02   0.02) =   0.057%
          HG13  ILE  103 - HB3   LYS+ 111  17.98 +/- 2.88   0.829% *  1.5640% (1.00  1.00   0.02   0.02) =   0.031%
          QB    ALA   20 - HB3   LYS+ 111  20.48 +/- 3.25   0.612% *  0.3102% (0.20  1.00   0.02   0.02) =   0.005%
    Distance limit 3.18 A violated in 0 structures by 0.71 A, kept.
 
    Peak 3205 (4.53, 1.53, 33.52 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.97, residual support = 314.9:
      O   HA    LYS+ 111 - HB3   LYS+ 111   2.83 +/- 0.17  89.378% * 99.9336% (0.97  10.0   6.97 314.87) =  99.997%  kept
          HA    VAL  108 - HB3   LYS+ 111   8.33 +/- 2.10   8.133% *  0.0160% (0.15   1.0   0.02   0.02) =   0.001%
          HA    PRO   52 - HB3   LYS+ 111  12.26 +/- 3.90   2.489% *  0.0504% (0.49   1.0   0.02   0.02) =   0.001%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3206 (7.57, 1.53, 33.52 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.5, residual support = 314.9:
      O   HN    LYS+ 111 - HB3   LYS+ 111   3.06 +/- 0.50  94.531% * 99.6823% (0.73  10.0   5.50 314.87) =  99.997%  kept
          HN    ILE   56 - HB3   LYS+ 111  11.13 +/- 2.30   3.753% *  0.0468% (0.34   1.0   0.02   1.77) =   0.002%
          HN    ALA   84 - HB3   LYS+ 111  20.98 +/- 3.43   0.437% *  0.0997% (0.73   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HB3   LYS+ 111  15.74 +/- 1.88   1.121% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LYS+ 111  32.89 +/- 4.10   0.159% *  0.1370% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3207 (7.58, 2.02, 33.52 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 7.06, residual support = 314.9:
      O   HN    LYS+ 111 - HB2   LYS+ 111   3.03 +/- 0.66  85.200% * 99.5678% (1.00  10.0   7.06 314.87) =  99.995%  kept
          HN    ILE   56 - HB2   LYS+ 111  11.76 +/- 2.25   2.349% *  0.0834% (0.84   1.0   0.02   1.77) =   0.002%
          HE21  GLN   32 - HG3   GLN   30  10.73 +/- 1.41   4.272% *  0.0146% (0.15   1.0   0.02   1.77) =   0.001%
          HN    LEU   63 - HB2   LYS+ 111  16.35 +/- 1.92   0.690% *  0.0725% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ALA   84 - HB2   LYS+ 111  21.26 +/- 3.20   0.381% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   GLN   30  17.49 +/- 3.88   0.752% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   GLN   30   8.91 +/- 0.78   4.742% *  0.0031% (0.03   1.0   0.02  19.46) =   0.000%
          HN    LEU   63 - HG3   GLN   30  15.99 +/- 2.41   0.897% *  0.0146% (0.15   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LYS+ 111  33.49 +/- 4.36   0.087% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HG3   GLN   30  23.00 +/- 3.31   0.271% *  0.0168% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG3   GLN   30  25.77 +/- 2.33   0.177% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LYS+ 111  26.05 +/- 3.71   0.180% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3208 (7.61, 1.33, 24.92 ppm):
    7 chemical-shift based assignments, quality = 0.175, support = 6.51, residual support = 314.5:
          HN    LYS+ 111 - HG2   LYS+ 111   3.78 +/- 1.00  87.200% * 94.2776% (0.18   6.52 314.87) =  99.877%  kept
          HN    ILE   56 - HG2   LYS+ 111  12.37 +/- 2.29   5.506% *  0.8039% (0.49   0.02   1.77) =   0.054%
          QE    PHE   60 - HG2   LYS+ 111  15.13 +/- 3.44   3.578% *  0.5097% (0.31   0.02   0.02) =   0.022%
          HN    LEU   63 - HG2   LYS+ 111  17.35 +/- 1.95   1.534% *  1.0017% (0.61   0.02   0.02) =   0.019%
          HZ2   TRP   87 - HG2   LYS+ 111  22.63 +/- 3.69   0.886% *  1.4811% (0.90   0.02   0.02) =   0.016%
          HD21  ASN   28 - HG2   LYS+ 111  26.22 +/- 3.81   0.478% *  1.6369% (0.99   0.02   0.02) =   0.010%
          HN    ALA   84 - HG2   LYS+ 111  21.47 +/- 3.78   0.817% *  0.2892% (0.18   0.02   0.02) =   0.003%
    Distance limit 4.01 A violated in 0 structures by 0.24 A, kept.
 
    Peak 3209 (7.59, 1.22, 24.92 ppm):
    14 chemical-shift based assignments, quality = 0.646, support = 6.54, residual support = 314.5:
          HN    LYS+ 111 - HG3   LYS+ 111   3.56 +/- 0.24  74.046% * 96.6259% (0.65   6.55 314.87) =  99.889%  kept
          HN    ILE   56 - HG3   LYS+ 111  12.16 +/- 2.67   3.436% *  1.8633% (0.97   0.08   1.77) =   0.089%
          HN    LEU   63 - HG2   LYS+  74   9.06 +/- 2.90  11.010% *  0.0487% (0.11   0.02   0.02) =   0.007%
          HN    LEU   63 - HG3   LYS+ 111  17.25 +/- 2.11   0.874% *  0.4553% (1.00   0.02   0.02) =   0.006%
          HN    ALA   84 - HG3   LYS+ 111  21.22 +/- 3.63   0.486% *  0.2952% (0.65   0.02   0.02) =   0.002%
          HN    ILE   56 - HG2   LYS+  74  14.24 +/- 3.31   2.235% *  0.0471% (0.10   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HG3   LYS+ 111  22.51 +/- 3.80   0.460% *  0.1713% (0.38   0.02   0.02) =   0.001%
          HD21  ASN   28 - HG3   LYS+ 111  26.14 +/- 3.90   0.269% *  0.2584% (0.57   0.02   0.02) =   0.001%
          HN    ALA   84 - HG2   LYS+  74  13.58 +/- 1.47   1.784% *  0.0315% (0.07   0.02   0.02) =   0.001%
          HD21  ASN   28 - HG2   LYS+  74  13.76 +/- 1.98   1.635% *  0.0276% (0.06   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HG2   LYS+  74  14.03 +/- 3.06   2.249% *  0.0183% (0.04   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HG2   LYS+  74  18.43 +/- 3.42   0.722% *  0.0315% (0.07   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG3   LYS+ 111  33.73 +/- 4.56   0.167% *  0.1138% (0.25   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG2   LYS+  74  20.72 +/- 3.18   0.627% *  0.0122% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3210 (8.52, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 0.0856, support = 5.87, residual support = 31.8:
          HN    VAL   75 - HG2   LYS+  74   3.36 +/- 0.75  92.128% * 91.8231% (0.09   5.88  31.89) =  99.820%  kept
          HN    ASP-  78 - HG2   LYS+  74   8.81 +/- 1.16   6.443% *  1.6408% (0.11   0.08   0.02) =   0.125%  kept
          HN    ASP-  78 - HG3   LYS+ 111  21.51 +/- 4.69   0.671% *  3.6153% (0.99   0.02   0.02) =   0.029%
          HN    VAL   75 - HG3   LYS+ 111  19.84 +/- 3.11   0.758% *  2.9208% (0.80   0.02   0.02) =   0.026%
    Distance limit 3.90 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3211 (1.99, 3.46, 61.33 ppm):
    11 chemical-shift based assignments, quality = 0.735, support = 1.12, residual support = 3.79:
        T HB2   LEU  115 - HA    LYS+ 112   3.06 +/- 0.77  60.723% * 67.5961% (0.76 10.00   0.75   2.55) =  88.719%  kept
          QB    GLU- 114 - HA    LYS+ 112   5.33 +/- 0.60  19.099% * 16.4483% (0.73  1.00   1.92   3.58) =   6.790%  kept
          HB2   LYS+ 111 - HA    LYS+ 112   5.42 +/- 0.34  13.737% * 15.0499% (0.18  1.00   7.29  28.75) =   4.468%  kept
          HG3   PRO   58 - HA    LYS+ 112  10.60 +/- 2.68   4.333% *  0.1889% (0.80  1.00   0.02   0.02) =   0.018%
          HG2   PRO   68 - HA    LYS+ 112  19.87 +/- 3.39   0.413% *  0.2046% (0.87  1.00   0.02   0.02) =   0.002%
          HB2   LEU   67 - HA    LYS+ 112  18.30 +/- 2.80   0.537% *  0.0885% (0.38  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HA    LYS+ 112  23.48 +/- 2.86   0.220% *  0.1889% (0.80  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HA    LYS+ 112  20.44 +/- 4.20   0.423% *  0.0413% (0.18  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 112  28.23 +/- 3.82   0.147% *  0.0885% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 112  24.40 +/- 4.07   0.215% *  0.0525% (0.22  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 112  25.89 +/- 3.15   0.154% *  0.0525% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3212 (0.80, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 1.75, residual support = 7.93:
        T QD1   ILE   56 - HA    LYS+ 112   5.11 +/- 2.73  64.713% * 99.7031% (0.84 10.00   1.75   7.93) =  99.964%  kept
          HG3   LYS+ 121 - HA    LYS+ 112  14.90 +/- 1.30   6.392% *  0.1258% (0.92  1.00   0.02   0.02) =   0.012%
          QD2   LEU   73 - HA    LYS+ 112  15.59 +/- 3.87   9.375% *  0.0772% (0.57  1.00   0.02   0.02) =   0.011%
          QD2   LEU  123 - HA    LYS+ 112  11.63 +/- 1.64  16.862% *  0.0379% (0.28  1.00   0.02   0.02) =   0.010%
          HG    LEU   31 - HA    LYS+ 112  23.42 +/- 3.70   2.658% *  0.0560% (0.41  1.00   0.02   0.02) =   0.002%
    Distance limit 3.30 A violated in 8 structures by 2.00 A, kept.
 
    Peak 3213 (7.32, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.898, support = 1.01, residual support = 1.08:
          QD    PHE   55 - HA    LYS+ 112   6.30 +/- 3.41  49.809% * 83.8848% (0.95   1.12   1.20) =  87.567%  kept
          QE    PHE   95 - HA    LYS+ 112   6.72 +/- 3.54  45.512% * 12.9635% (0.57   0.29   0.18) =  12.365%  kept
          HE3   TRP   27 - HA    LYS+ 112  21.08 +/- 3.05   0.915% *  1.5585% (0.98   0.02   0.02) =   0.030%
          HN    THR   23 - HA    LYS+ 112  23.25 +/- 3.87   0.897% *  0.8365% (0.53   0.02   0.02) =   0.016%
          HN    LEU   67 - HA    LYS+ 112  16.84 +/- 2.62   1.704% *  0.3147% (0.20   0.02   0.02) =   0.011%
          HN    LYS+  81 - HA    LYS+ 112  21.84 +/- 3.80   1.161% *  0.4421% (0.28   0.02   0.02) =   0.011%
    Distance limit 3.75 A violated in 4 structures by 0.69 A, kept.
 
    Peak 3214 (8.48, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 5.76, residual support = 238.1:
      O   HN    LYS+ 112 - HA    LYS+ 112   2.81 +/- 0.07  95.958% * 99.7200% (0.92  10.0   5.76 238.14) =  99.998%  kept
          HN    THR   46 - HA    LYS+ 112  13.22 +/- 2.66   1.579% *  0.0484% (0.45   1.0   0.02   0.02) =   0.001%
          HN    MET   92 - HA    LYS+ 112  13.18 +/- 3.48   1.944% *  0.0300% (0.28   1.0   0.02   0.02) =   0.001%
          HN    LYS+  74 - HA    LYS+ 112  18.59 +/- 3.40   0.472% *  0.0937% (0.87   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LYS+ 112  37.83 +/- 4.66   0.047% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3215 (8.51, 0.36, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 6.23, residual support = 238.1:
          HN    LYS+ 112 - HG2   LYS+ 112   3.94 +/- 0.54  94.684% * 98.9787% (0.41   6.23 238.14) =  99.977%  kept
          HN    ASP-  78 - HG2   LYS+ 112  19.45 +/- 5.05   2.440% *  0.5903% (0.76   0.02   0.02) =   0.015%
          HN    VAL   75 - HG2   LYS+ 112  17.45 +/- 4.00   2.741% *  0.2384% (0.31   0.02   0.02) =   0.007%
          HN    MET   11 - HG2   LYS+ 112  38.64 +/- 4.56   0.135% *  0.1926% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3216 (7.27, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 0.825, support = 0.661, residual support = 1.18:
          QE    PHE   59 - HG2   LYS+ 112   7.44 +/- 1.74  41.683% * 71.0408% (0.90   0.75   1.26) =  81.583%  kept
          HN    PHE   59 - HG2   LYS+ 112   9.12 +/- 2.44  26.344% * 16.9693% (0.53   0.31   1.26) =  12.316%  kept
          QD    PHE   60 - HG2   LYS+ 112  10.92 +/- 3.63  21.322% *  9.6700% (0.45   0.20   0.02) =   5.681%  kept
          HN    LYS+  66 - HG2   LYS+ 112  16.55 +/- 2.66   7.159% *  1.9499% (0.92   0.02   0.02) =   0.385%  kept
          HN    LYS+  81 - HG2   LYS+ 112  22.67 +/- 4.86   3.492% *  0.3699% (0.18   0.02   0.02) =   0.036%
    Distance limit 4.15 A violated in 12 structures by 2.46 A, kept.
 
    Peak 3217 (2.45, 0.36, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.6, residual support = 237.9:
      O T QE    LYS+ 112 - HG2   LYS+ 112   2.44 +/- 0.42  96.242% * 93.9398% (0.20  10.0 10.00   4.61 238.14) =  99.907%  kept
        T HB3   ASP-  62 - HG2   LYS+ 112  12.03 +/- 2.03   1.723% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.090%
          HG3   MET   96 - HG2   LYS+ 112  17.40 +/- 3.00   0.398% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - HG2   LYS+ 112  13.70 +/- 3.59   1.371% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HG2   LYS+ 112  24.23 +/- 4.21   0.148% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HG2   LYS+ 112  31.19 +/- 4.95   0.069% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   LYS+ 112  32.50 +/- 4.13   0.049% *  0.2128% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3218 (2.45, 1.05, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.64, residual support = 237.9:
      O T QE    LYS+ 112 - HG3   LYS+ 112   2.99 +/- 0.44  92.905% * 93.9398% (0.20  10.0 10.00   4.65 238.14) =  99.904%  kept
        T HB3   ASP-  62 - HG3   LYS+ 112  12.59 +/- 1.95   1.607% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.087%
          HB3   PHE   45 - HG3   LYS+ 112  13.59 +/- 3.55   4.072% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.004%
          HG3   MET   96 - HG3   LYS+ 112  17.23 +/- 2.95   0.852% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  86 - HG3   LYS+ 112  24.06 +/- 4.38   0.329% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HG3   LYS+ 112  31.33 +/- 4.49   0.139% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HG3   LYS+ 112  32.71 +/- 3.63   0.096% *  0.2128% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3219 (7.36, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.681, support = 0.02, residual support = 0.0726:
          HD1   TRP   49 - HG3   LYS+ 112  15.30 +/- 4.63  20.946% * 24.1093% (0.97   0.02   0.02) =  40.031%  kept
          QE    PHE   95 - HG3   LYS+ 112   8.34 +/- 3.54  58.489% *  6.9459% (0.28   0.02   0.18) =  32.204%  kept
          HN    LEU   67 - HG3   LYS+ 112  17.87 +/- 2.92  12.629% * 17.1603% (0.69   0.02   0.02) =  17.179%  kept
          HD2   HIS   22 - HG3   LYS+ 112  25.55 +/- 5.25   3.177% * 24.9820% (1.00   0.02   0.02) =   6.291%  kept
          HD21  ASN   35 - HG3   LYS+ 112  31.05 +/- 3.49   1.535% * 19.0919% (0.76   0.02   0.02) =   2.323%  kept
          HN    THR   23 - HG3   LYS+ 112  24.47 +/- 4.33   3.225% *  7.7106% (0.31   0.02   0.02) =   1.971%  kept
    Distance limit 4.29 A violated in 15 structures by 3.43 A, eliminated.
    Peak unassigned.
 
    Peak 3220 (8.51, 1.05, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.92, residual support = 238.1:
          HN    LYS+ 112 - HG3   LYS+ 112   3.44 +/- 0.49  97.363% * 98.9255% (0.41   5.92 238.14) =  99.989%  kept
          HN    ASP-  78 - HG3   LYS+ 112  19.64 +/- 5.21   1.145% *  0.6210% (0.76   0.02   0.02) =   0.007%
          HN    VAL   75 - HG3   LYS+ 112  17.69 +/- 3.91   1.399% *  0.2508% (0.31   0.02   0.02) =   0.004%
          HN    MET   11 - HG3   LYS+ 112  39.05 +/- 4.53   0.093% *  0.2026% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3221 (2.45, 1.20, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.84, residual support = 238.1:
      O   QE    LYS+ 112 - HD2   LYS+ 112   2.36 +/- 0.16  96.853% * 95.1769% (0.20  10.0  1.00   3.84 238.14) =  99.976%  kept
        T HG3   MET   96 - HD2   LYS+ 112  17.67 +/- 3.75   0.468% *  3.3036% (0.69   1.0 10.00   0.02   0.02) =   0.017%
          HB3   ASP-  62 - HD2   LYS+ 112  12.53 +/- 2.20   0.831% *  0.4767% (0.99   1.0  1.00   0.02   0.02) =   0.004%
          HB3   PHE   45 - HD2   LYS+ 112  13.88 +/- 4.00   1.603% *  0.0952% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HD2   LYS+ 112  24.33 +/- 4.89   0.141% *  0.4017% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HD2   LYS+ 112  31.54 +/- 4.91   0.061% *  0.3304% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD2   LYS+ 112  32.85 +/- 4.08   0.044% *  0.2156% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3222 (0.36, 1.11, 29.98 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.7, residual support = 238.1:
      O   HG2   LYS+ 112 - HD3   LYS+ 112   2.78 +/- 0.22  93.160% * 99.7845% (0.85  10.0   5.70 238.14) =  99.992%  kept
          QB    ALA   47 - HD3   LYS+ 112  11.95 +/- 3.59   5.071% *  0.1053% (0.89   1.0   0.02   0.02) =   0.006%
          QG1   VAL   42 - HD3   LYS+ 112  13.04 +/- 3.02   1.769% *  0.1103% (0.94   1.0   0.02   0.02) =   0.002%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3223 (2.45, 1.11, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.187, support = 3.3, residual support = 238.1:
      O   QE    LYS+ 112 - HD3   LYS+ 112   2.37 +/- 0.16  97.379% * 98.0934% (0.19  10.0   3.30 238.14) =  99.992%  kept
          HB3   ASP-  62 - HD3   LYS+ 112  12.48 +/- 2.22   0.989% *  0.4913% (0.94   1.0   0.02   0.02) =   0.005%
          HG3   MET   96 - HD3   LYS+ 112  17.80 +/- 3.35   0.372% *  0.3405% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   PHE   45 - HD3   LYS+ 112  14.32 +/- 3.73   1.006% *  0.0981% (0.19   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HD3   LYS+ 112  24.79 +/- 4.60   0.143% *  0.4140% (0.79   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HD3   LYS+ 112  31.69 +/- 5.06   0.067% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD3   LYS+ 112  32.88 +/- 3.87   0.043% *  0.2222% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3224 (0.36, 2.43, 41.54 ppm):
    6 chemical-shift based assignments, quality = 0.749, support = 4.6, residual support = 238.1:
      O T HG2   LYS+ 112 - QE    LYS+ 112   2.44 +/- 0.42  75.996% * 99.5374% (0.75  10.0 10.00   4.61 238.14) =  99.971%  kept
          QB    ALA   47 - QE    LYS+ 112  10.13 +/- 3.07  16.364% *  0.1050% (0.79   1.0  1.00   0.02   0.02) =   0.023%
          QG1   VAL   42 - QE    LYS+ 112  11.13 +/- 3.23   1.855% *  0.1100% (0.83   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   LYS+ 112 - HB3   ASP-  62  12.03 +/- 2.03   0.946% *  0.2037% (0.15   1.0 10.00   0.02   0.02) =   0.003%
          QG1   VAL   42 - HB3   ASP-  62   8.85 +/- 1.80   3.281% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   47 - HB3   ASP-  62  12.87 +/- 3.27   1.558% *  0.0215% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3225 (0.77, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.423, support = 1.25, residual support = 7.51:
          QD1   ILE   56 - QE    LYS+ 112   5.10 +/- 2.26  31.277% * 78.5154% (0.44   1.30   7.93) =  94.595%  kept
          QD1   ILE   56 - HB3   ASP-  62   7.01 +/- 1.79  14.205% *  3.8507% (0.09   0.31   0.02) =   2.107%  kept
          QG2   THR   46 - HB3   ASP-  62   9.77 +/- 3.30  14.368% *  1.4832% (0.05   0.21   0.02) =   0.821%  kept
          QD2   LEU   73 - HB3   ASP-  62  11.02 +/- 2.65   6.652% *  3.1992% (0.14   0.17   0.02) =   0.820%  kept
          QG2   VAL   18 - HB3   ASP-  62   9.85 +/- 3.02   6.918% *  2.8405% (0.07   0.30   0.02) =   0.757%  kept
          QG2   THR   46 - QE    LYS+ 112   9.70 +/- 3.63  13.342% *  0.7064% (0.26   0.02   0.02) =   0.363%  kept
          QD2   LEU   73 - QE    LYS+ 112  14.64 +/- 4.41   2.440% *  1.8326% (0.67   0.02   0.02) =   0.172%  kept
          QG1   VAL   43 - QE    LYS+ 112  13.01 +/- 3.03   2.438% *  1.4805% (0.54   0.02   0.02) =   0.139%  kept
          QG1   VAL   41 - QE    LYS+ 112  16.88 +/- 3.00   0.828% *  1.9116% (0.70   0.02   0.02) =   0.061%
          QG2   VAL   18 - QE    LYS+ 112  15.27 +/- 3.41   1.412% *  0.9409% (0.34   0.02   0.02) =   0.051%
          QG1   VAL   43 - HB3   ASP-  62  11.89 +/- 1.99   3.349% *  0.3029% (0.11   0.02   0.02) =   0.039%
          HG    LEU   31 - QE    LYS+ 112  22.07 +/- 4.70   0.478% *  2.1127% (0.77   0.02   0.02) =   0.039%
          QG1   VAL   41 - HB3   ASP-  62  13.92 +/- 1.49   1.454% *  0.3911% (0.14   0.02   0.02) =   0.022%
          HG    LEU   31 - HB3   ASP-  62  18.77 +/- 3.51   0.840% *  0.4323% (0.16   0.02   0.02) =   0.014%
    Distance limit 3.77 A violated in 2 structures by 0.38 A, kept.
 
    Peak 3226 (1.06, 2.43, 41.54 ppm):
    10 chemical-shift based assignments, quality = 0.797, support = 4.64, residual support = 235.3:
      O T HG3   LYS+ 112 - QE    LYS+ 112   2.99 +/- 0.44  65.445% * 94.8007% (0.81  10.0 10.00   4.65 238.14) =  98.545%  kept
          HG    LEU   63 - HB3   ASP-  62   5.21 +/- 1.27  22.029% *  4.1034% (0.15   1.0  1.00   4.55  42.32) =   1.436%  kept
        T QG2   VAL   24 - QE    LYS+ 112  18.49 +/- 3.79   0.591% *  0.7507% (0.64   1.0 10.00   0.02   0.02) =   0.007%
          HG    LEU   63 - QE    LYS+ 112  11.69 +/- 3.13   4.977% *  0.0881% (0.75   1.0  1.00   0.02   0.02) =   0.007%
        T HG3   LYS+ 112 - HB3   ASP-  62  12.59 +/- 1.95   1.132% *  0.1940% (0.16   1.0 10.00   0.02   0.02) =   0.003%
          QG2   VAL  108 - QE    LYS+ 112  10.68 +/- 1.76   2.700% *  0.0245% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HB3   ASP-  62  16.85 +/- 3.98   1.321% *  0.0154% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    LYS+ 112  17.58 +/- 2.63   0.442% *  0.0152% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   ASP-  62  14.95 +/- 2.08   0.722% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB3   ASP-  62  17.04 +/- 3.98   0.642% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3227 (1.14, 2.43, 41.54 ppm):
    12 chemical-shift based assignments, quality = 0.502, support = 0.02, residual support = 0.02:
        T QG2   VAL  107 - QE    LYS+ 112   7.73 +/- 2.53  21.704% * 59.7816% (0.51 10.00   0.02   0.02) =  83.415%  kept
          HG13  ILE  119 - QE    LYS+ 112   8.53 +/- 1.87  18.625% *  6.3761% (0.54  1.00   0.02   0.02) =   7.635%  kept
          QB    ALA   20 - QE    LYS+ 112  16.44 +/- 4.30   3.883% *  9.8344% (0.83  1.00   0.02   0.02) =   2.455%  kept
          HG13  ILE  119 - HB3   ASP-  62   7.06 +/- 1.63  24.787% *  1.3045% (0.11  1.00   0.02   0.02) =   2.079%  kept
          HG2   LYS+ 121 - QE    LYS+ 112  14.96 +/- 1.83   2.590% *  8.2327% (0.70  1.00   0.02   0.02) =   1.371%  kept
          QG2   VAL  107 - HB3   ASP-  62  10.75 +/- 2.79  11.476% *  1.2231% (0.10  1.00   0.02   0.02) =   0.902%  kept
          QB    ALA   20 - HB3   ASP-  62  11.96 +/- 2.56   6.487% *  2.0121% (0.17  1.00   0.02   0.02) =   0.839%  kept
          HG2   LYS+ 121 - HB3   ASP-  62  13.81 +/- 2.23   4.682% *  1.6844% (0.14  1.00   0.02   0.02) =   0.507%  kept
          HB3   LEU   31 - QE    LYS+ 112  22.93 +/- 4.71   1.075% *  5.9782% (0.51  1.00   0.02   0.02) =   0.413%  kept
          HG13  ILE  103 - QE    LYS+ 112  18.15 +/- 2.97   1.744% *  1.9506% (0.17  1.00   0.02   0.02) =   0.219%  kept
          HB3   LEU   31 - HB3   ASP-  62  19.91 +/- 3.57   1.687% *  1.2231% (0.10  1.00   0.02   0.02) =   0.133%  kept
          HG13  ILE  103 - HB3   ASP-  62  19.24 +/- 2.17   1.258% *  0.3991% (0.03  1.00   0.02   0.02) =   0.032%
    Distance limit 3.19 A violated in 17 structures by 2.25 A, eliminated.
    Peak unassigned.
 
    Peak 3228 (7.33, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.746, support = 0.582, residual support = 0.904:
          QD    PHE   55 - QE    LYS+ 112   5.43 +/- 2.75  34.965% * 57.9649% (0.72   0.68   1.20) =  70.708%  kept
          QE    PHE   95 - QE    LYS+ 112   7.59 +/- 3.92  24.513% * 33.1352% (0.82   0.35   0.18) =  28.338%  kept
          QE    PHE   95 - HB3   ASP-  62   8.97 +/- 3.72   7.934% *  1.6804% (0.17   0.09   0.02) =   0.465%  kept
          HD1   TRP   49 - QE    LYS+ 112  13.78 +/- 3.76   9.847% *  0.6032% (0.26   0.02   0.02) =   0.207%  kept
          HN    LEU   67 - HB3   ASP-  62   7.28 +/- 1.29  10.526% *  0.2587% (0.11   0.02   0.02) =   0.095%
          HN    LEU   67 - QE    LYS+ 112  15.27 +/- 2.97   1.189% *  1.2643% (0.54   0.02   0.02) =   0.052%
          HN    THR   23 - QE    LYS+ 112  21.24 +/- 4.63   0.472% *  1.8861% (0.81   0.02   0.02) =   0.031%
          HE3   TRP   27 - QE    LYS+ 112  19.78 +/- 4.25   0.558% *  1.5650% (0.67   0.02   0.02) =   0.030%
          QD    PHE   55 - HB3   ASP-  62  11.04 +/- 1.88   2.032% *  0.3469% (0.15   0.02   0.02) =   0.025%
          HD1   TRP   49 - HB3   ASP-  62  17.38 +/- 4.65   5.380% *  0.1234% (0.05   0.02   0.02) =   0.023%
          HN    THR   23 - HB3   ASP-  62  17.47 +/- 3.57   0.686% *  0.3859% (0.16   0.02   0.02) =   0.009%
          HE3   TRP   27 - HB3   ASP-  62  15.97 +/- 2.78   0.819% *  0.3202% (0.14   0.02   0.02) =   0.009%
          HD2   HIS   22 - QE    LYS+ 112  22.00 +/- 5.60   0.418% *  0.3868% (0.17   0.02   0.02) =   0.006%
          HD2   HIS   22 - HB3   ASP-  62  17.50 +/- 3.81   0.662% *  0.0791% (0.03   0.02   0.02) =   0.002%
    Distance limit 3.86 A violated in 0 structures by 0.29 A, kept.
 
    Peak 3230 (8.17, 2.68, 39.79 ppm):
    5 chemical-shift based assignments, quality = 0.843, support = 3.49, residual support = 24.0:
          HN    GLU- 114 - QB    ASP- 113   2.73 +/- 0.38  78.727% * 75.1122% (0.84   3.64  25.30) =  94.420%  kept
          HN    GLN  116 - QB    ASP- 113   5.12 +/- 0.28  15.016% * 22.7754% (0.98   0.94   1.87) =   5.461%  kept
          HN    THR  118 - QB    ASP- 113   7.48 +/- 0.49   4.341% *  1.6108% (0.80   0.08   0.02) =   0.112%  kept
          HN    PHE   60 - QB    ASP- 113  12.42 +/- 1.57   1.322% *  0.2800% (0.57   0.02   0.02) =   0.006%
          HN    LEU   71 - QB    ASP- 113  21.09 +/- 3.85   0.595% *  0.2217% (0.45   0.02   0.02) =   0.002%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3231 (8.43, 2.68, 39.79 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.48, residual support = 14.4:
      O   HN    ASP- 113 - QB    ASP- 113   2.17 +/- 0.14  99.414% * 99.9821% (0.98  10.0   3.48  14.45) = 100.000%  kept
          HN    MET   92 - QB    ASP- 113  14.59 +/- 2.89   0.586% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3232 (1.74, 4.37, 57.38 ppm):
    4 chemical-shift based assignments, quality = 0.433, support = 0.02, residual support = 0.02:
        T QG1   ILE   56 - HA    ASP- 113   8.43 +/- 2.07  73.881% * 39.4133% (0.41 10.00   0.02   0.02) =  88.290%  kept
        T HB3   LYS+  99 - HA    ASP- 113  23.18 +/- 2.91   5.698% * 50.4393% (0.53 10.00   0.02   0.02) =   8.714%  kept
          HB    ILE   89 - HA    ASP- 113  20.26 +/- 2.65   9.575% *  8.8499% (0.92  1.00   0.02   0.02) =   2.569%  kept
          HB    VAL   43 - HA    ASP- 113  18.28 +/- 2.63  10.846% *  1.2975% (0.14  1.00   0.02   0.02) =   0.427%  kept
    Distance limit 3.73 A violated in 19 structures by 4.65 A, eliminated.
    Peak unassigned.
 
    Peak 3233 (8.17, 4.14, 59.59 ppm):
    10 chemical-shift based assignments, quality = 0.761, support = 4.46, residual support = 51.4:
      O   HN    GLU- 114 - HA    GLU- 114   2.81 +/- 0.05  36.966% * 52.6693% (0.84  10.0   3.66  43.00) =  75.257%  kept
      O   HN    GLN  116 - HA    LEU  115   3.62 +/- 0.03  17.258% * 28.4448% (0.45  10.0   7.83  98.73) =  18.974%  kept
          HN    GLN  116 - HA    GLU- 114   4.62 +/- 0.37   8.711% * 12.1000% (0.98   1.0   3.92   1.53) =   4.074%  kept
          HN    GLU- 114 - HA    LEU  115   5.10 +/- 0.15   6.236% *  5.4356% (0.38   1.0   4.48  20.73) =   1.310%  kept
          HN    THR  118 - HA    GLU- 114   5.06 +/- 0.70   7.849% *  0.8968% (0.80   1.0   0.36   0.02) =   0.272%  kept
          HN    THR  118 - HA    LEU  115   3.53 +/- 0.38  20.217% *  0.1186% (0.37   1.0   0.10   0.02) =   0.093%
          HN    PHE   60 - HA    LEU  115   8.62 +/- 1.35   1.891% *  0.2581% (0.26   1.0   0.31   0.02) =   0.019%
          HN    PHE   60 - HA    GLU- 114  12.53 +/- 1.70   0.591% *  0.0357% (0.57   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - HA    GLU- 114  21.16 +/- 3.39   0.129% *  0.0283% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  18.08 +/- 1.94   0.152% *  0.0130% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3234 (8.40, 4.14, 59.59 ppm):
    6 chemical-shift based assignments, quality = 0.657, support = 6.21, residual support = 118.7:
      O   HN    LEU  115 - HA    GLU- 114   3.58 +/- 0.05  27.688% * 65.8820% (0.90  10.0   4.74  20.73) =  50.616%  kept
      O   HN    LEU  115 - HA    LEU  115   2.80 +/- 0.05  57.606% * 30.3197% (0.41  10.0   7.80 222.88) =  48.465%  kept
          HN    ASP- 113 - HA    GLU- 114   5.22 +/- 0.15   8.942% *  3.6927% (0.28   1.0   3.62  25.30) =   0.916%  kept
          HN    PHE   97 - HA    GLU- 114  13.93 +/- 2.71   0.642% *  0.0659% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HA    LEU  115   6.86 +/- 0.31   3.977% *  0.0094% (0.13   1.0   0.02   0.02) =   0.001%
          HN    PHE   97 - HA    LEU  115  11.68 +/- 3.11   1.144% *  0.0303% (0.41   1.0   0.02   0.02) =   0.001%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3235 (8.17, 2.00, 29.90 ppm):
    5 chemical-shift based assignments, quality = 0.81, support = 4.27, residual support = 41.8:
      O   HN    GLU- 114 - QB    GLU- 114   2.35 +/- 0.20  83.058% * 75.9609% (0.81  10.0   4.28  43.00) =  97.089%  kept
          HN    GLN  116 - QB    GLU- 114   5.24 +/- 0.30   8.043% * 20.8690% (0.95   1.0   4.68   1.53) =   2.583%  kept
          HN    THR  118 - QB    GLU- 114   5.68 +/- 0.66   6.882% *  3.0778% (0.77   1.0   0.85   0.02) =   0.326%  kept
          HN    PHE   60 - QB    GLU- 114  11.36 +/- 1.81   1.735% *  0.0515% (0.55   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - QB    GLU- 114  18.91 +/- 2.98   0.281% *  0.0408% (0.43   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3236 (8.40, 2.00, 29.90 ppm):
    3 chemical-shift based assignments, quality = 0.828, support = 5.33, residual support = 21.0:
          HN    LEU  115 - QB    GLU- 114   3.29 +/- 0.35  71.715% * 84.4160% (0.87   5.48  20.73) =  93.800%  kept
          HN    ASP- 113 - QB    GLU- 114   4.72 +/- 0.33  26.152% * 15.2757% (0.27   3.20  25.30) =   6.190%  kept
          HN    PHE   97 - QB    GLU- 114  11.71 +/- 2.11   2.133% *  0.3084% (0.87   0.02   0.02) =   0.010%
    Distance limit 3.38 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3237 (8.17, 2.31, 37.32 ppm):
    5 chemical-shift based assignments, quality = 0.857, support = 4.32, residual support = 35.4:
          HN    GLU- 114 - QG    GLU- 114   2.54 +/- 0.56  69.486% * 47.3072% (0.83   4.47  43.00) =  81.650%  kept
          HN    GLN  116 - QG    GLU- 114   4.72 +/- 0.71  14.039% * 48.7657% (0.98   3.92   1.53) =  17.005%  kept
          HN    THR  118 - QG    GLU- 114   5.65 +/- 1.02  14.687% *  3.6697% (0.80   0.36   0.02) =   1.339%  kept
          HN    PHE   60 - QG    GLU- 114  10.36 +/- 1.75   1.543% *  0.1436% (0.56   0.02   0.02) =   0.006%
          HN    LEU   71 - QG    GLU- 114  18.43 +/- 2.49   0.246% *  0.1137% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3238 (8.38, 2.31, 37.32 ppm):
    4 chemical-shift based assignments, quality = 0.447, support = 5.85, residual support = 20.7:
          HN    LEU  115 - QG    GLU- 114   2.45 +/- 0.81  96.062% * 98.5571% (0.45   5.85  20.73) =  99.985%  kept
          HN    PHE   97 - QG    GLU- 114  11.20 +/- 2.25   3.495% *  0.3369% (0.45   0.02   0.02) =   0.012%
          HN    ASN   35 - QG    GLU- 114  23.68 +/- 2.48   0.353% *  0.3953% (0.52   0.02   0.02) =   0.001%
          HN    ALA   12 - QG    GLU- 114  31.57 +/- 3.92   0.090% *  0.7107% (0.94   0.02   0.02) =   0.001%
    Distance limit 4.08 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3239 (1.10, 2.31, 37.32 ppm):
    6 chemical-shift based assignments, quality = 0.926, support = 1.64, residual support = 3.82:
          QG1   VAL  107 - QG    GLU- 114   4.06 +/- 2.09  58.608% * 51.2177% (0.98   1.67   3.98) =  67.119%  kept
          HD3   LYS+ 112 - QG    GLU- 114   6.43 +/- 1.88  34.845% * 41.2670% (0.83   1.58   3.58) =  32.152%  kept
          HG13  ILE  119 - QG    GLU- 114   8.71 +/- 0.99   4.804% *  6.6740% (0.22   0.96   0.12) =   0.717%  kept
          QG1   VAL   24 - QG    GLU- 114  18.07 +/- 3.07   0.690% *  0.5763% (0.92   0.02   0.02) =   0.009%
          QG2   VAL   24 - QG    GLU- 114  17.65 +/- 2.53   0.628% *  0.1093% (0.17   0.02   0.02) =   0.002%
          HB3   LEU   31 - QG    GLU- 114  20.95 +/- 2.75   0.425% *  0.1557% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.27 A violated in 0 structures by 0.25 A, kept.
 
    Peak 3240 (1.14, 2.00, 29.90 ppm):
    6 chemical-shift based assignments, quality = 0.586, support = 0.979, residual support = 3.87:
        T QG2   VAL  107 - QB    GLU- 114   5.46 +/- 2.06  61.085% * 91.6538% (0.59 10.00   0.99   3.98) =  97.339%  kept
          HG13  ILE  119 - QB    GLU- 114   9.31 +/- 0.96  19.723% *  7.5377% (0.62  1.00   0.76   0.12) =   2.585%  kept
          HG2   LYS+ 121 - QB    GLU- 114  11.91 +/- 1.88   7.702% *  0.2561% (0.81  1.00   0.02   0.02) =   0.034%
          QB    ALA   20 - QB    GLU- 114  17.48 +/- 3.67   6.179% *  0.3059% (0.96  1.00   0.02   0.02) =   0.033%
          HB3   LEU   31 - QB    GLU- 114  21.50 +/- 3.35   1.711% *  0.1859% (0.59  1.00   0.02   0.02) =   0.006%
          HG13  ILE  103 - QB    GLU- 114  14.57 +/- 2.34   3.599% *  0.0607% (0.19  1.00   0.02   0.02) =   0.004%
    Distance limit 3.10 A violated in 14 structures by 2.08 A, kept.
 
    Peak 3243 (4.12, 1.46, 42.01 ppm):
    20 chemical-shift based assignments, quality = 0.905, support = 6.52, residual support = 215.4:
      O T HA    LEU  115 - HB3   LEU  115   2.47 +/- 0.31  74.496% * 66.5643% (0.92  10.0 10.00   6.63 222.88) =  96.305%  kept
        T HA    GLU- 114 - HB3   LEU  115   6.14 +/- 0.32   5.853% * 32.3284% (0.45   1.0 10.00   3.73  20.73) =   3.675%  kept
        T HA    ARG+  54 - HB3   LEU  115  10.89 +/- 2.54   1.399% *  0.6023% (0.84   1.0 10.00   0.02   0.02) =   0.016%
          HA    ALA   34 - HB3   LEU   40   8.56 +/- 2.12  12.141% *  0.0068% (0.09   1.0  1.00   0.02   0.53) =   0.002%
        T HA    ARG+  54 - HB3   LEU   40  21.25 +/- 5.14   0.531% *  0.0707% (0.10   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LEU  115 - HB3   LEU   40  17.73 +/- 3.18   0.293% *  0.0781% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU  115  22.72 +/- 3.59   0.232% *  0.0682% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU  115  17.35 +/- 1.50   0.295% *  0.0524% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU   40  14.94 +/- 7.73   1.662% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU  115  23.22 +/- 2.97   0.140% *  0.0577% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HB3   LEU   40  20.39 +/- 3.51   0.171% *  0.0379% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU  115  19.35 +/- 2.99   0.209% *  0.0223% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU  115  23.12 +/- 1.86   0.101% *  0.0437% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU   40  14.33 +/- 2.33   0.522% *  0.0080% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   26 - HB3   LEU   40  17.65 +/- 2.79   0.259% *  0.0148% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU   40  21.38 +/- 7.06   0.316% *  0.0061% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU   40  12.51 +/- 1.44   0.771% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   LEU  115  25.36 +/- 3.57   0.104% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU  115  28.48 +/- 3.24   0.072% *  0.0161% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU   40  21.12 +/- 4.58   0.433% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3244 (0.44, 1.46, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.31, residual support = 222.9:
      O T QD1   LEU  115 - HB3   LEU  115   2.52 +/- 0.35  95.420% * 99.7570% (0.87  10.0 10.00   6.31 222.88) =  99.997%  kept
          QG1   VAL   75 - HB3   LEU  115  12.33 +/- 1.99   1.069% *  0.1127% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU  115 - HB3   LEU   40  14.83 +/- 2.89   0.738% *  0.1170% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   75 - HB3   LEU   40  11.67 +/- 2.52   2.774% *  0.0132% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3245 (0.57, 1.46, 42.01 ppm):
    18 chemical-shift based assignments, quality = 0.448, support = 7.44, residual support = 222.0:
      O T QD2   LEU  115 - HB3   LEU  115   2.64 +/- 0.47  48.850% * 96.4107% (0.45  10.0 10.00   7.46 222.88) =  99.607%  kept
          QG2   VAL   41 - HB3   LEU   40   6.03 +/- 0.43   5.176% *  1.9737% (0.04   1.0  1.00   4.17  20.92) =   0.216%  kept
          QD1   LEU   63 - HB3   LEU  115   8.09 +/- 2.77   8.508% *  0.7282% (0.80   1.0  1.00   0.08   0.02) =   0.131%  kept
          QD2   LEU   63 - HB3   LEU  115   9.05 +/- 2.67   7.625% *  0.1985% (0.92   1.0  1.00   0.02   0.02) =   0.032%
          QD1   LEU   73 - HB3   LEU  115  14.78 +/- 4.18   1.134% *  0.1722% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - HB3   LEU   40   9.50 +/- 2.55   3.856% *  0.0233% (0.11   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   73 - HB3   LEU   40  10.35 +/- 2.64   3.845% *  0.0202% (0.09   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - HB3   LEU   40   8.70 +/- 6.09  11.723% *  0.0056% (0.03   1.0  1.00   0.02   0.02) =   0.001%
        T QD2   LEU  115 - HB3   LEU   40  14.78 +/- 2.94   0.567% *  0.1131% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB3   LEU   40   9.75 +/- 2.97   2.577% *  0.0202% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HB3   LEU  115  14.96 +/- 2.19   0.353% *  0.0807% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB3   LEU  115  14.01 +/- 3.17   0.511% *  0.0479% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB3   LEU  115  18.10 +/- 3.07   0.271% *  0.0884% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB3   LEU   40  10.10 +/- 4.99   3.576% *  0.0056% (0.03   1.0  1.00   0.02   8.43) =   0.000%
          QD2   LEU   98 - HB3   LEU  115  14.97 +/- 1.77   0.376% *  0.0479% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU  115  17.85 +/- 2.92   0.241% *  0.0479% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   40  16.27 +/- 4.83   0.454% *  0.0104% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   40  16.91 +/- 5.19   0.357% *  0.0056% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3246 (8.17, 1.46, 42.01 ppm):
    10 chemical-shift based assignments, quality = 0.952, support = 7.06, residual support = 85.7:
          HN    GLN  116 - HB3   LEU  115   3.64 +/- 0.66  43.566% * 65.5270% (0.98   7.86  98.73) =  84.528%  kept
          HN    GLU- 114 - HB3   LEU  115   5.34 +/- 0.60  15.312% * 23.6344% (0.84   3.33  20.73) =  10.715%  kept
          HN    THR  118 - HB3   LEU  115   5.43 +/- 0.41  15.883% *  8.7323% (0.80   1.28   0.02) =   4.107%  kept
          HN    LEU   71 - HB3   LEU   40   6.03 +/- 1.04  15.376% *  1.0154% (0.05   2.27   1.45) =   0.462%  kept
          HN    PHE   60 - HB3   LEU  115   7.90 +/- 1.31   6.562% *  0.9513% (0.57   0.20   0.02) =   0.185%  kept
          HN    LEU   71 - HB3   LEU  115  18.28 +/- 2.68   0.572% *  0.0763% (0.45   0.02   0.02) =   0.001%
          HN    THR  118 - HB3   LEU   40  17.70 +/- 4.14   0.851% *  0.0160% (0.09   0.02   0.02) =   0.000%
          HN    PHE   60 - HB3   LEU   40  15.03 +/- 3.45   1.111% *  0.0113% (0.07   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   40  19.39 +/- 3.08   0.455% *  0.0196% (0.12   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   40  21.19 +/- 2.97   0.312% *  0.0167% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3247 (8.40, 1.46, 42.01 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 7.53, residual support = 222.5:
      O   HN    LEU  115 - HB3   LEU  115   2.92 +/- 0.44  86.078% * 98.4464% (0.90  10.0   7.54 222.88) =  99.848%  kept
          HN    ASP- 113 - HB3   LEU  115   6.29 +/- 0.98   8.860% *  1.4285% (0.28   1.0   0.94   0.02) =   0.149%  kept
          HN    PHE   97 - HB3   LEU  115  12.44 +/- 2.90   1.943% *  0.0984% (0.90   1.0   0.02   0.02) =   0.002%
          HN    PHE   97 - HB3   LEU   40  12.73 +/- 4.53   2.403% *  0.0116% (0.11   1.0   0.02   0.72) =   0.000%
          HN    LEU  115 - HB3   LEU   40  19.50 +/- 2.81   0.433% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   LEU   40  22.48 +/- 2.83   0.283% *  0.0036% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3248 (3.47, 1.98, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.686, support = 0.749, residual support = 2.55:
        T HA    LYS+ 112 - HB2   LEU  115   3.06 +/- 0.77  89.985% * 95.3266% (0.69 10.00   0.75   2.55) =  99.900%  kept
          HB2   HIS  122 - HB2   LEU  115  13.31 +/- 1.00   1.780% *  4.4480% (0.41  1.00   0.58   0.02) =   0.092%
          HB    THR   46 - HB2   LEU  115  11.80 +/- 2.94   7.549% *  0.0732% (0.20  1.00   0.02   0.02) =   0.006%
          HB2   HIS   22 - HB2   LEU  115  22.70 +/- 5.42   0.687% *  0.1521% (0.41  1.00   0.02   0.02) =   0.001%
    Distance limit 3.76 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3249 (7.33, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.92, support = 2.25, residual support = 7.55:
          QD    PHE   55 - HB2   LEU  115   7.21 +/- 2.95  37.190% * 62.3636% (0.87   2.92   7.88) =  53.120%  kept
          QE    PHE   95 - HB2   LEU  115   5.51 +/- 4.10  56.499% * 36.1989% (0.98   1.50   7.18) =  46.843%  kept
          HN    LEU   67 - HB2   LEU  115  15.29 +/- 2.75   1.809% *  0.3185% (0.65   0.02   0.02) =   0.013%
          HN    THR   23 - HB2   LEU  115  21.86 +/- 3.83   0.689% *  0.4752% (0.97   0.02   0.02) =   0.007%
          HE3   TRP   27 - HB2   LEU  115  19.46 +/- 2.89   0.749% *  0.3943% (0.80   0.02   0.02) =   0.007%
          HD1   TRP   49 - HB2   LEU  115  15.64 +/- 3.32   1.856% *  0.1520% (0.31   0.02   0.02) =   0.006%
          HD2   HIS   22 - HB2   LEU  115  22.95 +/- 4.99   1.208% *  0.0974% (0.20   0.02   0.02) =   0.003%
    Distance limit 3.72 A violated in 1 structures by 0.34 A, kept.
 
    Peak 3250 (8.18, 1.98, 42.01 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 7.22, residual support = 92.1:
          HN    GLN  116 - HB2   LEU  115   3.24 +/- 0.54  58.788% * 80.4898% (0.80   7.53  98.73) =  91.597%  kept
          HN    GLU- 114 - HB2   LEU  115   4.60 +/- 0.38  23.167% * 18.0843% (0.34   3.97  20.73) =   8.110%  kept
          HN    THR  118 - HB2   LEU  115   5.67 +/- 0.36  12.983% *  1.0641% (0.98   0.08   0.02) =   0.267%  kept
          HN    PHE   60 - HB2   LEU  115   8.26 +/- 1.34   4.918% *  0.2616% (0.98   0.02   0.02) =   0.025%
          HN    GLU-  15 - HB2   LEU  115  26.96 +/- 3.53   0.143% *  0.1002% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3251 (8.40, 1.98, 42.01 ppm):
    3 chemical-shift based assignments, quality = 0.895, support = 7.33, residual support = 222.3:
      O   HN    LEU  115 - HB2   LEU  115   2.26 +/- 0.28  91.610% * 96.9560% (0.90  10.0   7.35 222.88) =  99.747%  kept
          HN    ASP- 113 - HB2   LEU  115   5.43 +/- 0.62   7.626% *  2.9470% (0.28   1.0   1.96   0.02) =   0.252%  kept
          HN    PHE   97 - HB2   LEU  115  12.72 +/- 2.58   0.764% *  0.0970% (0.90   1.0   0.02   0.02) =   0.001%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3252 (8.17, 4.12, 59.41 ppm):
    15 chemical-shift based assignments, quality = 0.606, support = 6.28, residual support = 75.9:
      O   HN    GLN  116 - HA    LEU  115   3.62 +/- 0.03  16.458% * 66.7630% (0.82  10.0   7.83  98.73) =  62.372%  kept
      O   HN    GLU- 114 - HA    GLU- 114   2.81 +/- 0.05  35.252% * 15.5659% (0.19  10.0   3.66  43.00) =  31.149%  kept
          HN    GLU- 114 - HA    LEU  115   5.10 +/- 0.15   5.946% * 12.7579% (0.70   1.0   4.48  20.73) =   4.306%  kept
          HN    GLN  116 - HA    GLU- 114   4.62 +/- 0.37   8.309% *  3.5760% (0.22   1.0   3.92   1.53) =   1.687%  kept
          HN    THR  118 - HA    LEU  115   3.53 +/- 0.38  19.286% *  0.2783% (0.67   1.0   0.10   0.02) =   0.305%  kept
          HN    THR  118 - HA    GLU- 114   5.06 +/- 0.70   7.477% *  0.2650% (0.18   1.0   0.36   0.02) =   0.112%  kept
          HN    PHE   60 - HA    LEU  115   8.62 +/- 1.35   1.805% *  0.6058% (0.47   1.0   0.31   0.02) =   0.062%
          HN    PHE   60 - HA    ARG+  54   8.29 +/- 1.71   2.536% *  0.0216% (0.27   1.0   0.02   0.02) =   0.003%
          HN    GLN  116 - HA    ARG+  54  11.97 +/- 1.90   0.689% *  0.0374% (0.46   1.0   0.02   0.02) =   0.001%
          HN    GLU- 114 - HA    ARG+  54  13.72 +/- 1.94   0.366% *  0.0319% (0.39   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - HA    ARG+  54  19.46 +/- 4.88   0.679% *  0.0171% (0.21   1.0   0.02   0.02) =   0.001%
          HN    THR  118 - HA    ARG+  54  14.05 +/- 2.12   0.364% *  0.0306% (0.37   1.0   0.02   0.02) =   0.001%
          HN    PHE   60 - HA    GLU- 114  12.53 +/- 1.70   0.564% *  0.0106% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  18.08 +/- 1.94   0.145% *  0.0305% (0.37   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  21.16 +/- 3.39   0.123% *  0.0084% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3253 (8.40, 4.12, 59.41 ppm):
    9 chemical-shift based assignments, quality = 0.685, support = 7.43, residual support = 199.0:
      O   HN    LEU  115 - HA    LEU  115   2.80 +/- 0.05  56.543% * 77.4102% (0.75  10.0   7.80 222.88) =  88.188%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.58 +/- 0.05  27.177% * 21.1799% (0.20  10.0   4.74  20.73) =  11.597%  kept
          HN    ASP- 113 - HA    GLU- 114   5.22 +/- 0.15   8.777% *  1.1871% (0.06   1.0   3.62  25.30) =   0.210%  kept
          HN    ASP- 113 - HA    LEU  115   6.86 +/- 0.31   3.904% *  0.0240% (0.23   1.0   0.02   0.02) =   0.002%
          HN    PHE   97 - HA    LEU  115  11.68 +/- 3.11   1.123% *  0.0774% (0.75   1.0   0.02   0.02) =   0.002%
          HN    LEU  115 - HA    ARG+  54  12.28 +/- 2.05   0.883% *  0.0434% (0.42   1.0   0.02   0.02) =   0.001%
          HN    PHE   97 - HA    GLU- 114  13.93 +/- 2.71   0.630% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    ARG+  54  12.95 +/- 2.04   0.740% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ARG+  54  19.00 +/- 3.12   0.223% *  0.0434% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3254 (8.40, 1.48, 26.92 ppm):
    6 chemical-shift based assignments, quality = 0.774, support = 7.37, residual support = 221.4:
          HN    LEU  115 - HG    LEU  115   3.95 +/- 0.59  72.363% * 96.6247% (0.78   7.42 222.88) =  99.352%  kept
          HN    ASP- 113 - HG    LEU  115   6.75 +/- 0.91  15.063% *  2.9104% (0.24   0.72   0.02) =   0.623%  kept
          HN    PHE   97 - HG    LEU  115  12.94 +/- 3.22   3.803% *  0.2605% (0.78   0.02   0.02) =   0.014%
          HN    PHE   97 - HG    LEU   40  11.75 +/- 4.76   7.016% *  0.0885% (0.26   0.02   0.72) =   0.009%
          HN    LEU  115 - HG    LEU   40  18.10 +/- 2.64   1.144% *  0.0885% (0.26   0.02   0.02) =   0.001%
          HN    ASP- 113 - HG    LEU   40  21.06 +/- 2.74   0.611% *  0.0274% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.27 A, kept.
 
    Peak 3255 (6.91, 0.43, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QD1   LEU  115  10.34 +/- 1.55 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.90 A violated in 20 structures by 6.44 A, eliminated.
    Peak unassigned.
 
    Peak 3256 (7.32, 0.43, 25.13 ppm):
    6 chemical-shift based assignments, quality = 0.818, support = 2.38, residual support = 7.64:
          QD    PHE   55 - QD1   LEU  115   5.92 +/- 2.12  37.026% * 75.0281% (0.95   2.82   7.88) =  66.259%  kept
          QE    PHE   95 - QD1   LEU  115   4.19 +/- 4.20  59.260% * 23.8581% (0.57   1.50   7.18) =  33.722%  kept
          HE3   TRP   27 - QD1   LEU  115  15.32 +/- 2.79   0.591% *  0.5507% (0.98   0.02   0.02) =   0.008%
          HN    LEU   67 - QD1   LEU  115  11.70 +/- 1.84   2.272% *  0.1112% (0.20   0.02   0.02) =   0.006%
          HN    THR   23 - QD1   LEU  115  17.23 +/- 3.12   0.448% *  0.2956% (0.53   0.02   0.02) =   0.003%
          HN    LYS+  81 - QD1   LEU  115  17.02 +/- 2.90   0.404% *  0.1562% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.17 A violated in 1 structures by 0.15 A, kept.
 
    Peak 3257 (7.19, 0.43, 25.13 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 4.5, residual support = 29.6:
          QD    PHE   59 - QD1   LEU  115   2.84 +/- 0.66  95.823% * 98.7270% (0.95   4.50  29.56) =  99.982%  kept
          HH2   TRP   49 - QD1   LEU  115  11.32 +/- 2.60   2.674% *  0.3872% (0.84   0.02   0.02) =   0.011%
          HD1   TRP   27 - QD1   LEU  115  17.44 +/- 3.24   0.766% *  0.4385% (0.95   0.02   0.02) =   0.004%
          HE21  GLN   30 - QD1   LEU  115  17.54 +/- 2.84   0.738% *  0.4474% (0.97   0.02   0.02) =   0.003%
    Distance limit 3.52 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3258 (7.03, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.836, support = 1.4, residual support = 7.16:
          QD    PHE   95 - QD2   LEU  115   5.33 +/- 3.56  71.977% * 99.5465% (0.84   1.41   7.18) =  99.823%  kept
          HN    ALA   47 - QD2   LEU  115  10.57 +/- 2.80  28.023% *  0.4535% (0.27   0.02   0.02) =   0.177%  kept
    Distance limit 3.50 A violated in 5 structures by 1.45 A, kept.
 
    Peak 3259 (7.25, 0.59, 23.43 ppm):
    5 chemical-shift based assignments, quality = 0.891, support = 2.75, residual support = 29.4:
          QE    PHE   59 - QD2   LEU  115   2.51 +/- 0.62  72.052% * 76.7596% (0.89   2.90  29.56) =  93.643%  kept
          HN    PHE   59 - QD2   LEU  115   4.93 +/- 1.30  22.986% * 15.2115% (0.93   0.55  29.56) =   5.920%  kept
          HN    HIS  122 - QD2   LEU  115   7.94 +/- 0.97   3.359% *  7.5568% (0.43   0.59   0.02) =   0.430%  kept
          HN    LYS+  66 - QD2   LEU  115  10.99 +/- 1.31   1.293% *  0.2570% (0.43   0.02   0.02) =   0.006%
          HH2   TRP   87 - QD2   LEU  115  17.15 +/- 2.72   0.310% *  0.2151% (0.36   0.02   0.02) =   0.001%
    Distance limit 2.93 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3260 (1.01, 4.01, 60.31 ppm):
    8 chemical-shift based assignments, quality = 0.606, support = 3.93, residual support = 15.3:
        T QD1   ILE  119 - HA    GLN  116   2.86 +/- 0.82  89.566% * 99.5742% (0.61 10.00   3.93  15.31) =  99.993%  kept
          HB    VAL   75 - HA    GLN  116  16.08 +/- 3.20   0.869% *  0.1553% (0.95  1.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - HA    GLN  116  14.23 +/- 2.75   2.026% *  0.0616% (0.38  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HA    GLN  116  13.04 +/- 2.61   1.828% *  0.0560% (0.34  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HA    GLN  116  11.91 +/- 1.75   2.236% *  0.0325% (0.20  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HA    GLN  116  16.32 +/- 4.55   1.284% *  0.0507% (0.31  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    GLN  116  14.31 +/- 2.52   1.419% *  0.0409% (0.25  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HA    GLN  116  16.76 +/- 4.24   0.773% *  0.0288% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3261 (0.59, 4.01, 60.31 ppm):
    7 chemical-shift based assignments, quality = 0.924, support = 6.15, residual support = 96.9:
          QD2   LEU  115 - HA    GLN  116   2.89 +/- 0.94  71.116% * 92.9846% (0.92   6.26  98.73) =  98.119%  kept
          QD1   LEU   63 - HA    GLN  116   7.99 +/- 3.08  21.025% *  5.9657% (0.98   0.38   0.02) =   1.861%  kept
          QD2   LEU   63 - HA    GLN  116   8.85 +/- 2.64   5.503% *  0.1443% (0.45   0.02   0.02) =   0.012%
          QD1   LEU   73 - HA    GLN  116  15.98 +/- 3.76   0.844% *  0.3155% (0.98   0.02   0.02) =   0.004%
          QD1   LEU  104 - HA    GLN  116  14.66 +/- 3.95   0.935% *  0.2211% (0.69   0.02   0.02) =   0.003%
          QD2   LEU   80 - HA    GLN  116  20.03 +/- 3.60   0.283% *  0.2886% (0.90   0.02   0.02) =   0.001%
          QG1   VAL   83 - HA    GLN  116  19.91 +/- 2.41   0.294% *  0.0802% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3262 (7.93, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 2.64, residual support = 15.3:
          HN    ILE  119 - HA    GLN  116   3.17 +/- 0.28  98.419% * 97.3012% (0.57   2.64  15.31) =  99.987%  kept
          HN    CYS   21 - HA    GLN  116  20.55 +/- 3.55   0.691% *  1.2581% (0.97   0.02   0.02) =   0.009%
          HN    ILE   89 - HA    GLN  116  20.20 +/- 2.78   0.437% *  0.4447% (0.34   0.02   0.02) =   0.002%
          HN    LYS+  33 - HA    GLN  116  26.02 +/- 2.98   0.224% *  0.7381% (0.57   0.02   0.02) =   0.002%
          HN    SER   37 - HA    GLN  116  25.89 +/- 3.09   0.230% *  0.2580% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.61 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3263 (8.17, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.974, support = 6.7, residual support = 107.7:
      O   HN    GLN  116 - HA    GLN  116   2.72 +/- 0.04  68.462% * 88.6547% (0.98  10.0   6.85 111.53) =  96.522%  kept
          HN    THR  118 - HA    GLN  116   4.01 +/- 0.32  22.722% *  9.2347% (0.80   1.0   2.55   0.13) =   3.337%  kept
          HN    GLU- 114 - HA    GLN  116   6.88 +/- 0.25   4.291% *  2.0188% (0.84   1.0   0.53   1.53) =   0.138%  kept
          HN    PHE   60 - HA    GLN  116   8.13 +/- 1.66   4.228% *  0.0512% (0.57   1.0   0.02   0.02) =   0.003%
          HN    LEU   71 - HA    GLN  116  18.38 +/- 2.71   0.297% *  0.0405% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3264 (4.38, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.486, support = 0.718, residual support = 1.79:
          HA    ASP- 113 - HB2   GLN  116   3.28 +/- 0.67  84.355% * 40.9330% (0.49  1.00   0.75   1.87) =  95.196%  kept
        T HA    PRO   58 - HB2   GLN  116  11.59 +/- 1.49   3.107% * 47.7180% (0.41 10.00   0.10   0.02) =   4.087%  kept
          HA    ILE   56 - HB2   GLN  116   8.99 +/- 2.20   8.624% *  2.1642% (0.97  1.00   0.02   0.02) =   0.515%  kept
          HA    LEU  123 - HB2   GLN  116  11.99 +/- 1.11   2.201% *  2.2375% (1.00  1.00   0.02   0.02) =   0.136%  kept
          HA    LYS+  99 - HB2   GLN  116  22.22 +/- 3.19   0.441% *  1.8731% (0.84  1.00   0.02   0.02) =   0.023%
          HA    LEU   40 - HB2   GLN  116  20.92 +/- 3.18   0.583% *  1.2696% (0.57  1.00   0.02   0.02) =   0.020%
          HA    ASN   35 - HB2   GLN  116  27.61 +/- 3.40   0.218% *  2.1213% (0.95  1.00   0.02   0.02) =   0.013%
          HA    GLU-  15 - HB2   GLN  116  27.45 +/- 4.23   0.304% *  0.8416% (0.38  1.00   0.02   0.02) =   0.007%
          HA    SER   13 - HB2   GLN  116  32.11 +/- 4.48   0.166% *  0.8416% (0.38  1.00   0.02   0.02) =   0.004%
    Distance limit 3.77 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3265 (0.57, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.456, support = 6.85, residual support = 97.0:
          QD2   LEU  115 - HB2   GLN  116   4.09 +/- 0.92  66.154% * 91.0189% (0.45   6.96  98.73) =  98.262%  kept
          QD2   LEU   63 - HB2   GLN  116  10.54 +/- 3.24  13.680% *  7.1991% (0.92   0.27   0.02) =   1.607%  kept
          QD1   LEU   63 - HB2   GLN  116   9.82 +/- 3.32  13.463% *  0.4670% (0.80   0.02   0.02) =   0.103%  kept
          QD1   LEU   73 - HB2   GLN  116  17.44 +/- 3.90   2.004% *  0.4670% (0.80   0.02   0.02) =   0.015%
          QG2   VAL   41 - HB2   GLN  116  17.62 +/- 2.33   1.104% *  0.2189% (0.38   0.02   0.02) =   0.004%
          QD1   LEU  104 - HB2   GLN  116  16.00 +/- 3.57   1.567% *  0.1298% (0.22   0.02   0.02) =   0.003%
          QD2   LEU   80 - HB2   GLN  116  20.99 +/- 4.08   0.536% *  0.2397% (0.41   0.02   0.02) =   0.002%
          QD2   LEU   98 - HB2   GLN  116  17.86 +/- 2.07   0.906% *  0.1298% (0.22   0.02   0.02) =   0.002%
          QD1   LEU   80 - HB2   GLN  116  20.80 +/- 3.96   0.586% *  0.1298% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.00 A violated in 0 structures by 0.30 A, kept.
 
    Peak 3266 (0.59, 2.54, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 6.51, residual support = 97.2:
          QD2   LEU  115 - HG2   GLN  116   3.91 +/- 1.29  66.115% * 94.5037% (1.00   6.61  98.73) =  98.469%  kept
          QD1   LEU   63 - HG2   GLN  116   9.08 +/- 2.97  21.129% *  4.5162% (0.84   0.38   0.02) =   1.504%  kept
          QD2   LEU   63 - HG2   GLN  116   9.86 +/- 2.72   8.066% *  0.0713% (0.25   0.02   0.02) =   0.009%
          QD1   LEU  104 - HG2   GLN  116  15.78 +/- 3.73   1.965% *  0.2564% (0.90   0.02   0.02) =   0.008%
          QD1   LEU   73 - HG2   GLN  116  17.06 +/- 4.10   1.584% *  0.2388% (0.84   0.02   0.02) =   0.006%
          QD2   LEU   80 - HG2   GLN  116  20.73 +/- 3.98   0.579% *  0.2853% (1.00   0.02   0.02) =   0.003%
          QG1   VAL   83 - HG2   GLN  116  20.69 +/- 2.96   0.561% *  0.1282% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.83 A violated in 1 structures by 0.31 A, kept.
 
    Peak 3267 (7.40, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.646, support = 4.48, residual support = 111.4:
      O   HE21  GLN  116 - HG2   GLN  116   3.02 +/- 0.72  76.952% * 99.1436% (0.65  10.0   4.49 111.53) =  99.868%  kept
          HN    ALA  120 - HG2   GLN  116   5.91 +/- 0.84  16.490% *  0.5680% (0.28   1.0   0.27   0.17) =   0.123%  kept
          HN    ALA   57 - HG2   GLN  116   9.04 +/- 2.21   6.003% *  0.1113% (0.73   1.0   0.02   0.02) =   0.009%
          HE21  GLN   90 - HG2   GLN  116  23.02 +/- 3.94   0.432% *  0.1502% (0.98   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HG2   GLN  116  29.10 +/- 3.24   0.123% *  0.0268% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3268 (8.18, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.805, support = 6.59, residual support = 107.2:
          HN    GLN  116 - HG2   GLN  116   3.38 +/- 0.49  65.771% * 84.9257% (0.80   6.83 111.53) =  96.081%  kept
          HN    THR  118 - HG2   GLN  116   5.85 +/- 0.72  16.991% * 11.8087% (0.98   0.78   0.13) =   3.451%  kept
          HN    GLU- 114 - HG2   GLN  116   7.02 +/- 0.97   8.649% *  2.8447% (0.34   0.54   1.53) =   0.423%  kept
          HN    PHE   60 - HG2   GLN  116   9.15 +/- 1.99   8.308% *  0.3044% (0.98   0.02   0.02) =   0.043%
          HN    GLU-  15 - HG2   GLN  116  27.53 +/- 4.83   0.281% *  0.1165% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3269 (7.34, 2.37, 29.51 ppm):
    8 chemical-shift based assignments, quality = 0.703, support = 0.02, residual support = 0.585:
          QE    PHE   95 - HB2   GLN  116   8.94 +/- 3.87  36.001% * 15.3326% (0.76   0.02   0.02) =  45.425%  kept
          QD    PHE   55 - HB2   GLN  116   8.00 +/- 2.43  39.170% *  6.8436% (0.34   0.02   2.58) =  22.060%  kept
          HN    LEU   67 - HB2   GLN  116  16.42 +/- 3.30   8.508% * 20.0629% (1.00   0.02   0.02) =  14.046%  kept
          HD1   TRP   49 - HB2   GLN  116  18.27 +/- 4.25   7.991% * 16.7579% (0.84   0.02   0.02) =  11.020%  kept
          HN    THR   23 - HB2   GLN  116  24.23 +/- 4.43   2.218% * 16.0651% (0.80   0.02   0.02) =   2.932%  kept
          HD2   HIS   22 - HB2   GLN  116  25.01 +/- 5.38   2.535% * 13.7814% (0.69   0.02   0.02) =   2.875%  kept
          HE3   TRP   27 - HB2   GLN  116  22.04 +/- 3.29   2.752% *  5.5782% (0.28   0.02   0.02) =   1.263%  kept
          HD21  ASN   35 - HB2   GLN  116  29.67 +/- 3.23   0.825% *  5.5782% (0.28   0.02   0.02) =   0.379%  kept
    Distance limit 3.84 A violated in 16 structures by 2.74 A, eliminated.
    Peak unassigned.
 
    Peak 3270 (8.17, 2.37, 29.51 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 7.38, residual support = 110.7:
      O   HN    GLN  116 - HB2   GLN  116   2.14 +/- 0.10  86.678% * 89.7932% (0.98  10.0   7.43 111.53) =  99.224%  kept
          HN    GLU- 114 - HB2   GLN  116   5.30 +/- 0.41   6.312% *  6.4462% (0.84   1.0   1.68   1.53) =   0.519%  kept
          HN    THR  118 - HB2   GLN  116   5.40 +/- 0.20   5.488% *  3.6677% (0.80   1.0   1.00   0.13) =   0.257%  kept
          HN    PHE   60 - HB2   GLN  116  10.01 +/- 1.96   1.351% *  0.0519% (0.57   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - HB2   GLN  116  20.38 +/- 3.32   0.171% *  0.0411% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3271 (8.67, 2.37, 29.51 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.89, residual support = 28.1:
          HN    SER  117 - HB2   GLN  116   3.39 +/- 0.31  99.339% * 99.5604% (0.98   4.89  28.06) =  99.999%  kept
          HN    GLY   16 - HB2   GLN  116  26.41 +/- 4.48   0.325% *  0.3471% (0.84   0.02   0.02) =   0.001%
          HN    SER   82 - HB2   GLN  116  25.82 +/- 3.84   0.336% *  0.0925% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3272 (8.67, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.89, residual support = 28.1:
      O   HN    SER  117 - HA    GLN  116   3.56 +/- 0.05  99.204% * 99.8922% (0.98  10.0   4.89  28.06) = 100.000%  kept
          HN    GLY   16 - HA    GLN  116  24.27 +/- 4.14   0.443% *  0.0851% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLN  116  25.04 +/- 3.19   0.353% *  0.0227% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3273 (1.48, 4.24, 61.69 ppm):
    10 chemical-shift based assignments, quality = 0.921, support = 1.97, residual support = 5.23:
        T QB    ALA  120 - HA    SER  117   3.16 +/- 0.50  72.547% * 89.0104% (0.92 10.00   1.97   5.26) =  99.037%  kept
          HG    LEU  115 - HA    SER  117   7.91 +/- 0.89   5.826% *  6.3950% (0.92  1.00   1.42   2.25) =   0.571%  kept
          HB3   LEU  115 - HA    SER  117   7.87 +/- 0.32   5.564% *  3.3076% (0.38  1.00   1.80   2.25) =   0.282%  kept
          HD2   LYS+ 121 - HA    SER  117   8.19 +/- 2.15   8.687% *  0.7600% (0.18  1.00   0.89   0.02) =   0.101%  kept
          HB2   LYS+  74 - HA    SER  117  19.83 +/- 4.89   4.013% *  0.0514% (0.53  1.00   0.02   0.02) =   0.003%
        T QG2   THR   26 - HA    SER  117  22.58 +/- 3.98   0.559% *  0.2718% (0.28 10.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - HA    SER  117  19.65 +/- 4.53   0.594% *  0.0978% (1.00  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HA    SER  117  18.11 +/- 3.89   0.730% *  0.0476% (0.49  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HA    SER  117  18.52 +/- 4.34   0.767% *  0.0367% (0.38  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    SER  117  18.45 +/- 2.70   0.713% *  0.0218% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3274 (7.40, 4.24, 61.69 ppm):
    5 chemical-shift based assignments, quality = 0.528, support = 1.74, residual support = 20.7:
          HE21  GLN  116 - HA    SER  117   6.04 +/- 1.67  29.209% * 81.3611% (0.65   2.10  28.06) =  67.916%  kept
          HN    ALA  120 - HA    SER  117   3.71 +/- 0.18  68.400% * 16.3835% (0.28   0.98   5.26) =  32.026%  kept
          HN    ALA   57 - HA    SER  117  12.82 +/- 1.20   1.912% *  0.8705% (0.73   0.02   0.02) =   0.048%
          HE21  GLN   90 - HA    SER  117  24.25 +/- 3.02   0.304% *  1.1750% (0.98   0.02   0.02) =   0.010%
          HD21  ASN   35 - HA    SER  117  28.78 +/- 3.92   0.175% *  0.2099% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.78 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3275 (8.68, 4.24, 61.69 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 3.63, residual support = 15.3:
      O   HN    SER  117 - HA    SER  117   2.73 +/- 0.05  98.908% * 99.9049% (0.57  10.0   3.63  15.35) = 100.000%  kept
          HN    ALA   20 - HA    SER  117  23.37 +/- 4.91   0.897% *  0.0349% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    SER  117  25.92 +/- 5.16   0.195% *  0.0602% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3278 (7.30, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 0.343, support = 0.02, residual support = 0.02:
          QD    PHE   55 - QB    SER  117  10.25 +/- 1.99  10.490% * 14.4446% (0.49   0.02   0.02) =  24.224%  kept
          QD    PHE   60 - QB    SER  117  11.18 +/- 2.53   8.660% * 12.2000% (0.41   0.02   0.02) =  16.891%  kept
          HN    LYS+  81 - QB    SER   85   7.38 +/- 0.42  21.112% *  3.4992% (0.12   0.02   0.02) =  11.810%  kept
          HN    LYS+  81 - QB    SER   48  11.38 +/- 4.04  12.445% *  5.8981% (0.20   0.02   0.02) =  11.735%  kept
          QE    PHE   95 - QB    SER  117   8.95 +/- 2.74  15.201% *  4.5788% (0.15   0.02   0.02) =  11.127%  kept
          HE3   TRP   27 - QB    SER  117  19.52 +/- 3.46   2.579% * 16.8009% (0.57   0.02   0.02) =   6.926%  kept
          HN    LYS+  81 - QB    SER  117  22.56 +/- 4.00   1.869% * 22.6789% (0.76   0.02   0.02) =   6.775%  kept
          QD    PHE   60 - QB    SER   48  12.77 +/- 2.35   5.652% *  3.1728% (0.11   0.02   0.02) =   2.867%  kept
          QD    PHE   55 - QB    SER   48  13.68 +/- 1.25   3.512% *  3.7566% (0.13   0.02   0.02) =   2.109%  kept
          HE3   TRP   27 - QB    SER   48  16.95 +/- 3.13   2.376% *  4.3694% (0.15   0.02   0.02) =   1.660%  kept
          HE3   TRP   27 - QB    SER   85  16.17 +/- 3.59   2.878% *  2.5923% (0.09   0.02   0.02) =   1.193%  kept
          QE    PHE   95 - QB    SER   48  12.11 +/- 1.78   5.631% *  1.1908% (0.04   0.02   0.02) =   1.072%  kept
          QD    PHE   60 - QB    SER   85  16.75 +/- 2.29   2.133% *  1.8824% (0.06   0.02   0.02) =   0.642%  kept
          QD    PHE   55 - QB    SER   85  20.08 +/- 2.77   1.446% *  2.2287% (0.08   0.02   0.02) =   0.515%  kept
          QE    PHE   95 - QB    SER   85  14.39 +/- 2.01   4.016% *  0.7065% (0.02   0.02   0.02) =   0.454%  kept
    Distance limit 3.90 A violated in 18 structures by 2.26 A, eliminated.
    Peak unassigned.
 
    Peak 3280 (0.23, 3.88, 68.07 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.14, residual support = 42.3:
      O T QG2   THR  118 - HB    THR  118   2.16 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   4.14  42.34) = 100.000%  kept
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3281 (1.10, 3.88, 68.07 ppm):
    6 chemical-shift based assignments, quality = 0.691, support = 2.94, residual support = 25.5:
          QG1   VAL  107 - HB    THR  118   5.06 +/- 4.56  55.014% * 51.6419% (0.98   1.38   2.80) =  61.805%  kept
          HG13  ILE  119 - HB    THR  118   5.04 +/- 0.71  37.512% * 46.6906% (0.22   5.49  62.44) =  38.102%  kept
          HD3   LYS+ 112 - HB    THR  118  10.05 +/- 1.57   5.739% *  0.6381% (0.84   0.02   0.02) =   0.080%
          QG1   VAL   24 - HB    THR  118  18.76 +/- 4.17   0.663% *  0.7052% (0.92   0.02   0.02) =   0.010%
          HB3   LEU   31 - HB    THR  118  20.90 +/- 3.47   0.457% *  0.1905% (0.25   0.02   0.02) =   0.002%
          QG2   VAL   24 - HB    THR  118  18.31 +/- 3.45   0.615% *  0.1338% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.83 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3282 (7.24, 3.88, 68.07 ppm):
    4 chemical-shift based assignments, quality = 0.533, support = 1.73, residual support = 11.4:
          QE    PHE   59 - HB    THR  118   3.28 +/- 0.64  76.796% * 35.2005% (0.45   1.87  12.80) =  81.300%  kept
          HN    HIS  122 - HB    THR  118   7.24 +/- 0.21   8.847% * 52.9822% (0.92   1.37   3.09) =  14.097%  kept
          HN    PHE   59 - HB    THR  118   8.42 +/- 1.42  13.760% * 11.0900% (0.84   0.32  12.80) =   4.589%  kept
          HH2   TRP   87 - HB    THR  118  20.02 +/- 2.77   0.597% *  0.7272% (0.87   0.02   0.02) =   0.013%
    Distance limit 4.03 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3283 (8.18, 3.88, 68.07 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 3.76, residual support = 42.2:
      O   HN    THR  118 - HB    THR  118   2.09 +/- 0.10  89.731% * 95.5125% (0.98  10.0   3.76  42.34) =  99.764%  kept
          HN    GLN  116 - HB    THR  118   5.37 +/- 0.49   5.818% *  2.9051% (0.80   1.0   0.74   0.13) =   0.197%  kept
          HN    PHE   60 - HB    THR  118   8.63 +/- 1.49   2.171% *  1.5126% (0.98   1.0   0.32   0.02) =   0.038%
          HN    GLU- 114 - HB    THR  118   7.56 +/- 0.87   2.213% *  0.0332% (0.34   1.0   0.02   0.02) =   0.001%
          HN    GLU-  15 - HB    THR  118  25.01 +/- 3.74   0.067% *  0.0366% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3284 (0.26, 3.69, 67.42 ppm):
    1 chemical-shift based assignment, quality = 0.138, support = 5.18, residual support = 42.3:
      O T QG2   THR  118 - HA    THR  118   2.71 +/- 0.13 100.000% *100.0000% (0.14  10.0 10.00   5.18  42.34) = 100.000%  kept
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3286 (1.10, 3.69, 67.42 ppm):
    6 chemical-shift based assignments, quality = 0.389, support = 4.86, residual support = 45.8:
        T HG13  ILE  119 - HA    THR  118   6.14 +/- 0.59  38.731% * 77.1324% (0.20 10.00   6.24  62.44) =  72.043%  kept
          QG1   VAL  107 - HA    THR  118   6.86 +/- 4.48  52.332% * 22.1114% (0.88  1.00   1.30   2.80) =  27.905%  kept
          HD3   LYS+ 112 - HA    THR  118  12.15 +/- 1.37   5.124% *  0.2894% (0.75  1.00   0.02   0.02) =   0.036%
          QG1   VAL   24 - HA    THR  118  19.89 +/- 4.62   1.559% *  0.3198% (0.83  1.00   0.02   0.02) =   0.012%
          QG2   VAL   24 - HA    THR  118  19.37 +/- 3.95   1.329% *  0.0607% (0.16  1.00   0.02   0.02) =   0.002%
          HB3   LEU   31 - HA    THR  118  21.64 +/- 3.99   0.926% *  0.0864% (0.22  1.00   0.02   0.02) =   0.002%
    Distance limit 3.53 A violated in 7 structures by 0.97 A, kept.
 
    Peak 3287 (1.50, 3.69, 67.42 ppm):
    10 chemical-shift based assignments, quality = 0.382, support = 2.21, residual support = 5.64:
        T HB3   LYS+ 121 - HA    THR  118   3.73 +/- 0.48  52.359% * 65.6862% (0.22 10.00   2.10   5.64) =  76.088%  kept
          HD2   LYS+ 121 - HA    THR  118   4.79 +/- 1.44  32.538% * 33.1668% (0.89  1.00   2.54   5.64) =  23.875%  kept
          QD    LYS+  66 - HA    THR  118  15.17 +/- 4.05   2.093% *  0.1913% (0.65  1.00   0.02   0.02) =   0.009%
          HG2   LYS+  65 - HA    THR  118  17.09 +/- 2.37   1.359% *  0.2634% (0.90  1.00   0.02   0.02) =   0.008%
          HB2   LYS+  74 - HA    THR  118  17.44 +/- 4.30   1.242% *  0.2200% (0.75  1.00   0.02   0.02) =   0.006%
          HG    LEU  104 - HA    THR  118  15.08 +/- 6.42   2.713% *  0.0657% (0.22  1.00   0.02   0.02) =   0.004%
          HD3   LYS+  74 - HA    THR  118  17.28 +/- 5.17   4.225% *  0.0406% (0.14  1.00   0.02   0.02) =   0.004%
          QG2   THR   26 - HA    THR  118  20.21 +/- 3.60   0.500% *  0.2611% (0.89  1.00   0.02   0.02) =   0.003%
          HB3   LYS+ 111 - HA    THR  118  11.88 +/- 1.83   1.972% *  0.0461% (0.16  1.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - HA    THR  118  16.95 +/- 5.26   1.000% *  0.0586% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 0 structures by 0.23 A, kept.
 
    Peak 3288 (2.05, 3.69, 67.42 ppm):
    12 chemical-shift based assignments, quality = 0.686, support = 0.02, residual support = 59.6:
        T HB    ILE  119 - HA    THR  118   5.69 +/- 0.14  59.262% * 57.0728% (0.69 10.00   0.02  62.44) =  95.371%  kept
          HB    VAL  108 - HA    THR  118  13.46 +/- 3.96   7.023% *  7.0645% (0.85  1.00   0.02   0.02) =   1.399%  kept
          HB2   PRO   93 - HA    THR  118  13.78 +/- 2.61   6.036% *  7.0645% (0.85  1.00   0.02   0.02) =   1.202%  kept
          HB2   ARG+  54 - HA    THR  118  17.32 +/- 2.90   3.464% *  7.3202% (0.88  1.00   0.02   0.02) =   0.715%  kept
          HG2   PRO   58 - HA    THR  118  11.90 +/- 2.38  10.948% *  1.3079% (0.16  1.00   0.02   0.02) =   0.404%  kept
          HB3   GLU- 100 - HA    THR  118  22.18 +/- 5.51   1.605% *  5.1298% (0.62  1.00   0.02   0.02) =   0.232%  kept
          HB2   GLN   30 - HA    THR  118  21.65 +/- 3.24   1.361% *  5.7073% (0.69  1.00   0.02   0.02) =   0.219%  kept
          HG3   PRO   52 - HA    THR  118  18.04 +/- 3.76   4.632% *  1.3079% (0.16  1.00   0.02   0.02) =   0.171%  kept
          HG3   GLN   30 - HA    THR  118  22.36 +/- 3.56   1.301% *  3.3482% (0.40  1.00   0.02   0.02) =   0.123%  kept
          HB3   PRO   68 - HA    THR  118  19.15 +/- 4.75   2.974% *  1.1523% (0.14  1.00   0.02   0.02) =   0.097%
          HB2   GLU-  14 - HA    THR  118  26.92 +/- 4.55   0.962% *  1.6626% (0.20  1.00   0.02   0.02) =   0.045%
          HG2   MET   11 - HA    THR  118  33.60 +/- 5.62   0.433% *  1.8622% (0.22  1.00   0.02   0.02) =   0.023%
    Distance limit 3.90 A violated in 20 structures by 1.73 A, eliminated.
    Peak unassigned.
 
    Peak 3289 (2.28, 3.69, 67.42 ppm):
    8 chemical-shift based assignments, quality = 0.402, support = 6.42, residual support = 62.4:
        T HG12  ILE  119 - HA    THR  118   5.50 +/- 0.21  79.056% * 98.7917% (0.40 10.00   6.42  62.44) =  99.949%  kept
          HB2   ASP-  44 - HA    THR  118  13.75 +/- 2.44   7.489% *  0.2084% (0.85  1.00   0.02   0.02) =   0.020%
          HB3   PHE   72 - HA    THR  118  15.93 +/- 3.60   6.403% *  0.1911% (0.78  1.00   0.02   0.02) =   0.016%
          QG    GLU-  15 - HA    THR  118  22.44 +/- 3.61   1.657% *  0.2184% (0.89  1.00   0.02   0.02) =   0.005%
          QG    GLN   90 - HA    THR  118  19.55 +/- 2.51   2.039% *  0.1764% (0.72  1.00   0.02   0.02) =   0.005%
          QG    GLU-  14 - HA    THR  118  23.93 +/- 4.20   1.709% *  0.2034% (0.83  1.00   0.02   0.02) =   0.004%
          QB    MET   11 - HA    THR  118  29.91 +/- 4.61   0.731% *  0.1764% (0.72  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HA    THR  118  26.08 +/- 3.78   0.916% *  0.0340% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 13 structures by 1.59 A, kept.
 
    Peak 3290 (3.89, 3.69, 67.42 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.97, residual support = 42.3:
      O T HB    THR  118 - HA    THR  118   3.00 +/- 0.05  94.785% * 99.8099% (0.72  10.0 10.00   3.97  42.34) =  99.998%  kept
          HA    PHE   60 - HA    THR  118  10.69 +/- 2.18   3.121% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - HA    THR  118  20.51 +/- 4.82   0.916% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR  118  18.71 +/- 2.87   0.480% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    THR  118  23.38 +/- 4.63   0.450% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR  118  25.87 +/- 4.59   0.248% *  0.0311% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3291 (7.19, 3.69, 67.42 ppm):
    4 chemical-shift based assignments, quality = 0.842, support = 0.02, residual support = 10.7:
          QD    PHE   59 - HA    THR  118   6.75 +/- 0.61  83.017% * 25.6201% (0.85   0.02  12.80) =  83.714%  kept
          HH2   TRP   49 - HA    THR  118  18.64 +/- 4.41   7.915% * 22.6222% (0.75   0.02   0.02) =   7.047%  kept
          HE21  GLN   30 - HA    THR  118  21.12 +/- 4.12   4.627% * 26.1376% (0.87   0.02   0.02) =   4.760%  kept
          HD1   TRP   27 - HA    THR  118  22.08 +/- 4.25   4.441% * 25.6201% (0.85   0.02   0.02) =   4.479%  kept
    Distance limit 3.54 A violated in 19 structures by 3.19 A, eliminated.
    Peak unassigned.
 
    Peak 3292 (7.48, 3.69, 67.42 ppm):
    3 chemical-shift based assignments, quality = 0.461, support = 0.02, residual support = 0.02:
          HN    LEU  123 - HA    THR  118   7.14 +/- 0.25  82.830% * 43.4534% (0.47   0.02   0.02) =  86.833%  kept
          HZ2   TRP   49 - HA    THR  118  18.29 +/- 4.81  11.114% * 40.2018% (0.44   0.02   0.02) =  10.780%  kept
          HE21  GLN   17 - HA    THR  118  22.29 +/- 5.15   6.055% * 16.3448% (0.18   0.02   0.02) =   2.388%  kept
    Distance limit 3.94 A violated in 20 structures by 3.17 A, eliminated.
    Peak unassigned.
 
    Peak 3293 (7.93, 3.69, 67.42 ppm):
    5 chemical-shift based assignments, quality = 0.508, support = 7.03, residual support = 62.4:
      O   HN    ILE  119 - HA    THR  118   3.54 +/- 0.05  97.490% * 99.6357% (0.51  10.0   7.03  62.44) =  99.997%  kept
          HN    CYS   21 - HA    THR  118  20.23 +/- 4.18   0.987% *  0.1698% (0.87   1.0   0.02   0.02) =   0.002%
          HN    ILE   89 - HA    THR  118  20.14 +/- 3.03   0.646% *  0.0600% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    THR  118  24.35 +/- 3.51   0.375% *  0.0996% (0.51   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    THR  118  23.97 +/- 4.39   0.502% *  0.0348% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3294 (8.20, 3.69, 67.42 ppm):
    4 chemical-shift based assignments, quality = 0.507, support = 4.63, residual support = 42.3:
      O   HN    THR  118 - HA    THR  118   2.86 +/- 0.03  91.523% * 96.9527% (0.51  10.0   4.63  42.34) =  99.834%  kept
          HN    GLN  116 - HA    THR  118   7.11 +/- 0.25   6.020% *  2.1633% (0.28   1.0   0.82   0.13) =   0.147%  kept
          HN    PHE   60 - HA    THR  118  10.76 +/- 1.42   2.266% *  0.7354% (0.72   1.0   0.11   0.02) =   0.019%
          HN    GLU-  15 - HA    THR  118  25.39 +/- 4.52   0.192% *  0.1485% (0.78   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3295 (3.70, 3.88, 68.07 ppm):
    7 chemical-shift based assignments, quality = 0.388, support = 4.08, residual support = 44.0:
      O T HA    THR  118 - HB    THR  118   3.00 +/- 0.05  75.265% * 71.5179% (0.38  10.0 10.00   3.97  42.34) =  91.539%  kept
          HA    ILE  119 - HB    THR  118   4.84 +/- 0.22  18.488% * 26.6997% (0.53   1.0  1.00   5.33  62.44) =   8.394%  kept
          HD3   PRO   58 - HB    THR  118  10.46 +/- 1.65   2.519% *  1.4689% (0.49   1.0  1.00   0.32   0.02) =   0.063%
          HA    VAL   75 - HB    THR  118  16.25 +/- 3.07   0.732% *  0.1456% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HA2   GLY  109 - HB    THR  118  11.83 +/- 3.17   2.092% *  0.0294% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB    THR  118  19.44 +/- 3.83   0.554% *  0.0854% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HB    THR  118  18.87 +/- 2.39   0.350% *  0.0530% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3296 (1.11, 0.24, 20.84 ppm):
    6 chemical-shift based assignments, quality = 0.579, support = 5.26, residual support = 42.5:
          HG13  ILE  119 - QG2   THR  118   4.11 +/- 0.88  39.213% * 70.4321% (0.62   6.33  62.44) =  66.538%  kept
          QG1   VAL  107 - QG2   THR  118   5.14 +/- 4.14  48.378% * 28.6577% (0.51   3.13   2.80) =  33.401%  kept
          HD3   LYS+ 112 - QG2   THR  118   9.88 +/- 1.55   4.229% *  0.3125% (0.87   0.02   0.02) =   0.032%
          QG1   VAL   24 - QG2   THR  118  15.14 +/- 3.63   2.354% *  0.2904% (0.80   0.02   0.02) =   0.016%
          QB    ALA   20 - QG2   THR  118  12.42 +/- 3.31   5.126% *  0.0721% (0.20   0.02   0.02) =   0.009%
          HB3   LEU   31 - QG2   THR  118  16.52 +/- 3.39   0.700% *  0.2351% (0.65   0.02   0.02) =   0.004%
    Distance limit 3.26 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3297 (1.88, 0.24, 20.84 ppm):
    13 chemical-shift based assignments, quality = 0.276, support = 1.59, residual support = 4.04:
        T HB3   ASP- 105 - QG2   THR  118   7.76 +/- 6.04  28.840% * 78.4782% (0.25 10.00   1.64   4.24) =  90.680%  kept
          QB    LYS+ 106 - QG2   THR  118   8.74 +/- 4.25  11.246% * 13.9206% (0.51  1.00   1.43   3.06) =   6.272%  kept
          HB3   PRO   58 - QG2   THR  118   9.24 +/- 1.92  11.762% *  5.6064% (0.62  1.00   0.47   0.02) =   2.642%  kept
          HB    ILE   56 - QG2   THR  118   7.95 +/- 1.74  15.437% *  0.3256% (0.85  1.00   0.02   0.02) =   0.201%  kept
          HB3   LYS+  38 - QG2   THR  118  17.88 +/- 4.23   3.890% *  0.3434% (0.89  1.00   0.02   0.02) =   0.054%
          HB3   GLN   30 - QG2   THR  118  16.36 +/- 2.62   2.517% *  0.3321% (0.87  1.00   0.02   0.02) =   0.033%
          HB2   MET   92 - QG2   THR  118  13.70 +/- 2.29   2.667% *  0.2985% (0.78  1.00   0.02   0.02) =   0.032%
          HG3   PRO   68 - QG2   THR  118  13.51 +/- 4.26   9.455% *  0.0681% (0.18  1.00   0.02   0.02) =   0.026%
          HG2   ARG+  54 - QG2   THR  118  13.14 +/- 2.59   6.915% *  0.0858% (0.22  1.00   0.02   0.02) =   0.024%
          QB    LYS+  33 - QG2   THR  118  17.26 +/- 2.35   2.083% *  0.1292% (0.34  1.00   0.02   0.02) =   0.011%
          QB    LYS+  81 - QG2   THR  118  16.97 +/- 1.81   1.349% *  0.1811% (0.47  1.00   0.02   0.02) =   0.010%
          HB    ILE  103 - QG2   THR  118  12.86 +/- 4.67   2.636% *  0.0766% (0.20  1.00   0.02   0.02) =   0.008%
          HB3   GLN   90 - QG2   THR  118  16.60 +/- 2.88   1.204% *  0.1543% (0.40  1.00   0.02   0.02) =   0.007%
    Distance limit 3.52 A violated in 7 structures by 1.25 A, kept.
 
    Peak 3298 (2.25, 0.24, 20.84 ppm):
    11 chemical-shift based assignments, quality = 0.646, support = 3.9, residual support = 31.5:
        T HB2   ASP- 105 - QG2   THR  118   7.58 +/- 6.05  34.796% * 61.1648% (0.51 10.00   1.64   4.24) =  53.164%  kept
          HG12  ILE  119 - QG2   THR  118   3.68 +/- 0.57  49.027% * 38.2239% (0.80  1.00   6.47  62.44) =  46.812%  kept
          HB2   ASP-  44 - QG2   THR  118   9.37 +/- 2.17   6.932% *  0.0494% (0.34  1.00   0.02   0.02) =   0.009%
          HB3   PHE   72 - QG2   THR  118  11.37 +/- 2.82   3.685% *  0.0641% (0.44  1.00   0.02   0.02) =   0.006%
          HG3   MET   92 - QG2   THR  118  14.19 +/- 2.29   1.206% *  0.1216% (0.83  1.00   0.02   0.02) =   0.004%
          QG    GLN   90 - QG2   THR  118  15.14 +/- 2.43   0.845% *  0.0746% (0.51  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  76 - QG2   THR  118  14.71 +/- 2.86   1.344% *  0.0449% (0.31  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  29 - QG2   THR  118  20.03 +/- 2.93   0.357% *  0.1291% (0.88  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - QG2   THR  118  18.49 +/- 2.72   0.550% *  0.0542% (0.37  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QG2   THR  118  17.08 +/- 4.49   0.654% *  0.0366% (0.25  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - QG2   THR  118  17.33 +/- 2.51   0.605% *  0.0366% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.38 A violated in 0 structures by 0.23 A, kept.
 
    Peak 3299 (3.70, 0.24, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.399, support = 5.3, residual support = 51.5:
      O T HA    THR  118 - QG2   THR  118   2.71 +/- 0.13  58.647% * 40.7264% (0.34  10.0 10.00   5.18  42.34) =  53.901%  kept
        T HA    ILE  119 - QG2   THR  118   3.28 +/- 0.26  35.690% * 57.0915% (0.47   1.0 10.00   5.46  62.44) =  45.982%  kept
          HD3   PRO   58 - QG2   THR  118   8.79 +/- 1.53   2.524% *  2.0036% (0.44   1.0  1.00   0.76   0.02) =   0.114%  kept
          HA    VAL   75 - QG2   THR  118  13.01 +/- 2.36   0.762% *  0.0829% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - QG2   THR  118  16.69 +/- 3.41   0.633% *  0.0487% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  109 - QG2   THR  118  11.23 +/- 2.96   1.394% *  0.0167% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - QG2   THR  118  15.73 +/- 2.37   0.351% *  0.0302% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3300 (3.89, 0.24, 20.84 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 4.14, residual support = 42.3:
      O T HB    THR  118 - QG2   THR  118   2.16 +/- 0.01  91.255% * 99.8099% (0.72  10.0 10.00   4.14  42.34) =  99.998%  kept
          HA    PHE   60 - QG2   THR  118   6.89 +/- 1.83   6.987% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   39 - QG2   THR  118  15.64 +/- 3.59   0.695% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR  118  18.05 +/- 3.57   0.444% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR  118  14.19 +/- 3.00   0.434% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR  118  20.20 +/- 3.23   0.185% *  0.0311% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3301 (6.83, 0.24, 20.84 ppm):
    4 chemical-shift based assignments, quality = 0.896, support = 0.982, residual support = 3.08:
          HD2   HIS  122 - QG2   THR  118   3.49 +/- 0.22  85.493% * 96.5013% (0.90   0.98   3.09) =  99.745%  kept
          HE22  GLN  116 - QG2   THR  118   8.12 +/- 1.04   8.468% *  1.9566% (0.89   0.02   0.13) =   0.200%  kept
          QD    PHE   45 - QG2   THR  118  10.17 +/- 2.05   4.922% *  0.7360% (0.34   0.02   0.02) =   0.044%
          HE22  GLN   17 - QG2   THR  118  17.26 +/- 3.57   1.117% *  0.8062% (0.37   0.02   0.02) =   0.011%
    Distance limit 3.08 A violated in 0 structures by 0.41 A, kept.
 
    Peak 3302 (7.19, 0.24, 20.84 ppm):
    4 chemical-shift based assignments, quality = 0.848, support = 4.46, residual support = 12.8:
          QD    PHE   59 - QG2   THR  118   3.91 +/- 0.74  90.887% * 98.7148% (0.85   4.46  12.80) =  99.957%  kept
          HH2   TRP   49 - QG2   THR  118  14.54 +/- 3.25   3.783% *  0.3909% (0.75   0.02   0.02) =   0.016%
          HE21  GLN   30 - QG2   THR  118  15.84 +/- 3.16   2.733% *  0.4516% (0.87   0.02   0.02) =   0.014%
          HD1   TRP   27 - QG2   THR  118  16.67 +/- 3.35   2.597% *  0.4427% (0.85   0.02   0.02) =   0.013%
    Distance limit 3.51 A violated in 2 structures by 0.53 A, kept.
 
    Peak 3303 (0.25, 3.69, 66.88 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 5.46, residual support = 62.4:
        T QG2   THR  118 - HA    ILE  119   3.28 +/- 0.26 100.000% *100.0000% (0.57 10.00   5.46  62.44) = 100.000%  kept
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3304 (1.49, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.516, support = 4.5, residual support = 32.8:
          QB    ALA  120 - HA    ILE  119   4.98 +/- 0.03  37.620% * 49.9442% (0.45   5.33  52.40) =  55.463%  kept
          HD2   LYS+ 121 - HA    ILE  119   5.32 +/- 0.55  32.172% * 45.4193% (0.61   3.58   8.33) =  43.133%  kept
          HG    LEU  115 - HA    ILE  119   7.30 +/- 0.84  13.533% *  3.2345% (0.45   0.35   7.75) =   1.292%  kept
          HB3   LEU   40 - HA    ILE  119  16.33 +/- 5.16   4.587% *  0.2873% (0.69   0.02   0.02) =   0.039%
          HB2   LYS+  74 - HA    ILE  119  15.62 +/- 3.36   1.939% *  0.4036% (0.97   0.02   0.02) =   0.023%
          QD    LYS+  66 - HA    ILE  119  12.19 +/- 3.68   6.943% *  0.1043% (0.25   0.02   0.02) =   0.021%
          HG2   LYS+  65 - HA    ILE  119  13.98 +/- 1.71   2.237% *  0.2873% (0.69   0.02   0.02) =   0.019%
          QG2   THR   26 - HA    ILE  119  19.15 +/- 3.33   0.971% *  0.3196% (0.76   0.02   0.02) =   0.009%
    Distance limit 3.92 A violated in 0 structures by 0.56 A, kept.
 
    Peak 3305 (7.19, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.36, residual support = 24.2:
          QD    PHE   59 - HA    ILE  119   4.16 +/- 0.44  94.720% * 97.5960% (0.95   2.36  24.22) =  99.955%  kept
          HH2   TRP   49 - HA    ILE  119  17.99 +/- 4.39   2.678% *  0.7312% (0.84   0.02   0.02) =   0.021%
          HE21  GLN   30 - HA    ILE  119  19.86 +/- 3.84   1.490% *  0.8448% (0.97   0.02   0.02) =   0.014%
          HD1   TRP   27 - HA    ILE  119  21.43 +/- 4.17   1.112% *  0.8280% (0.95   0.02   0.02) =   0.010%
    Distance limit 3.33 A violated in 2 structures by 0.83 A, kept.
 
    Peak 3306 (7.92, 3.69, 66.88 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 8.55, residual support = 269.5:
      O   HN    ILE  119 - HA    ILE  119   2.79 +/- 0.05  98.678% * 99.7485% (0.98  10.0   8.55 269.49) =  99.999%  kept
          HN    CYS   21 - HA    ILE  119  18.64 +/- 3.59   0.606% *  0.0850% (0.84   1.0   0.02   0.02) =   0.001%
          HN    ILE   89 - HA    ILE  119  21.04 +/- 3.11   0.271% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE  119  23.31 +/- 4.07   0.245% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE  119  23.70 +/- 3.47   0.199% *  0.0157% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3307 (7.45, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.299, support = 5.61, residual support = 42.3:
      O   HN    ALA  120 - HA    ILE  119   3.60 +/- 0.02  69.727% * 58.5873% (0.18  10.0   6.27  52.40) =  80.299%  kept
          HN    LEU  123 - HA    ILE  119   5.06 +/- 0.16  25.244% * 39.4155% (0.80   1.0   2.94   0.96) =  19.559%  kept
          HN    ALA  124 - HA    ILE  119   9.20 +/- 0.25   4.197% *  1.6627% (0.98   1.0   0.10   0.02) =   0.137%  kept
          HE21  GLN   17 - HA    ILE  119  20.49 +/- 4.60   0.832% *  0.3345% (1.00   1.0   0.02   0.02) =   0.005%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3308 (4.02, 2.03, 38.31 ppm):
    9 chemical-shift based assignments, quality = 0.837, support = 2.52, residual support = 15.3:
          HA    GLN  116 - HB    ILE  119   2.92 +/- 0.80  95.392% * 96.5476% (0.84   2.52  15.31) =  99.977%  kept
          HA    VAL   70 - HB    ILE  119  17.04 +/- 3.05   1.315% *  0.7674% (0.84   0.02   0.02) =   0.011%
          HA    VAL   18 - HB    ILE  119  19.10 +/- 4.06   1.098% *  0.4184% (0.46   0.02   0.02) =   0.005%
          HB2   SER   37 - HB    ILE  119  23.92 +/- 3.62   0.391% *  0.5144% (0.56   0.02   0.02) =   0.002%
          HA    LYS+  33 - HB    ILE  119  26.95 +/- 3.20   0.218% *  0.5774% (0.63   0.02   0.02) =   0.001%
          HA1   GLY   16 - HB    ILE  119  22.59 +/- 4.97   0.458% *  0.2454% (0.27   0.02   0.02) =   0.001%
          HA    GLU-  29 - HB    ILE  119  27.00 +/- 3.66   0.211% *  0.4502% (0.49   0.02   0.02) =   0.001%
          HA    SER   48 - HB    ILE  119  20.00 +/- 3.79   0.734% *  0.1227% (0.13   0.02   0.02) =   0.001%
          HB2   SER   82 - HB    ILE  119  27.75 +/- 2.84   0.183% *  0.3565% (0.39   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3309 (7.44, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.515, support = 4.98, residual support = 50.8:
          HN    ALA  120 - HB    ILE  119   2.79 +/- 0.15  60.761% * 83.8197% (0.53   5.13  52.40) =  96.312%  kept
          HE21  GLN  116 - HB    ILE  119   4.52 +/- 1.62  28.731% *  4.1959% (0.22   0.62  15.31) =   2.280%  kept
          HN    LEU  123 - HB    ILE  119   5.93 +/- 0.37   6.629% * 11.0767% (0.27   1.33   0.96) =   1.389%  kept
          HN    ALA  124 - HB    ILE  119   9.50 +/- 0.40   1.589% *  0.4312% (0.69   0.02   0.02) =   0.013%
          HN    ALA   57 - HB    ILE  119   9.51 +/- 1.23   1.924% *  0.1066% (0.17   0.02   0.02) =   0.004%
          HE21  GLN   17 - HB    ILE  119  22.20 +/- 5.15   0.366% *  0.3699% (0.60   0.02   0.02) =   0.003%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3310 (7.92, 2.03, 38.31 ppm):
    5 chemical-shift based assignments, quality = 0.85, support = 7.57, residual support = 269.5:
      O   HN    ILE  119 - HB    ILE  119   2.38 +/- 0.20  99.188% * 99.7485% (0.85  10.0   7.57 269.49) =  99.999%  kept
          HN    CYS   21 - HB    ILE  119  20.18 +/- 3.77   0.440% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    ILE  119  21.46 +/- 2.86   0.163% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE  119  25.26 +/- 3.50   0.108% *  0.0658% (0.56   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE  119  25.57 +/- 3.18   0.101% *  0.0157% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3311 (3.97, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.557, support = 3.78, residual support = 51.4:
          HA    ALA  120 - QG2   ILE  119   3.60 +/- 0.37  68.123% * 85.1697% (0.57   3.84  52.40) =  97.664%  kept
          HA    LYS+ 121 - QG2   ILE  119   6.44 +/- 0.17  12.590% * 10.4071% (0.20   1.34   8.33) =   2.206%  kept
          HD2   PRO   52 - QG2   ILE  119  13.69 +/- 2.89   3.970% *  0.5983% (0.76   0.02   0.02) =   0.040%
          HA    LYS+  65 - QG2   ILE  119  11.66 +/- 1.65   2.362% *  0.7406% (0.95   0.02   0.02) =   0.029%
          HA    SER   48 - QG2   ILE  119  16.91 +/- 3.49   3.584% *  0.2416% (0.31   0.02   0.02) =   0.015%
          QB    SER   48 - QG2   ILE  119  16.37 +/- 3.10   2.955% *  0.2671% (0.34   0.02   0.02) =   0.013%
          HA2   GLY   16 - QG2   ILE  119  18.56 +/- 4.55   0.929% *  0.7022% (0.90   0.02   0.02) =   0.011%
          HB    THR   94 - QG2   ILE  119  13.99 +/- 2.01   1.856% *  0.1952% (0.25   0.02   0.02) =   0.006%
          QB    SER   85 - QG2   ILE  119  20.55 +/- 2.09   0.440% *  0.7022% (0.90   0.02   0.02) =   0.005%
          HA2   GLY   51 - QG2   ILE  119  14.69 +/- 2.85   2.383% *  0.1208% (0.15   0.02   0.02) =   0.005%
          HA    GLN   32 - QG2   ILE  119  21.85 +/- 3.14   0.397% *  0.4433% (0.57   0.02   0.02) =   0.003%
          HA    ALA   88 - QG2   ILE  119  21.02 +/- 2.64   0.412% *  0.4119% (0.53   0.02   0.02) =   0.003%
    Distance limit 3.62 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3312 (7.44, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.562, support = 5.36, residual support = 44.6:
          HN    ALA  120 - QG2   ILE  119   3.43 +/- 0.41  38.123% * 74.9496% (0.61   5.74  52.40) =  84.766%  kept
          HN    LEU  123 - QG2   ILE  119   4.17 +/- 0.32  21.600% * 22.6654% (0.31   3.41   0.96) =  14.524%  kept
          HE21  GLN  116 - QG2   ILE  119   4.40 +/- 1.50  28.620% *  0.5741% (0.25   0.11  15.31) =   0.487%  kept
          HN    ALA  124 - QG2   ILE  119   6.83 +/- 0.41   4.693% *  1.4299% (0.80   0.08   0.02) =   0.199%  kept
          HN    ALA   57 - QG2   ILE  119   7.83 +/- 1.56   5.912% *  0.0852% (0.20   0.02   0.02) =   0.015%
          HE21  GLN   17 - QG2   ILE  119  17.71 +/- 4.23   1.050% *  0.2958% (0.69   0.02   0.02) =   0.009%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3313 (7.91, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.84, residual support = 269.5:
          HN    ILE  119 - QG2   ILE  119   3.66 +/- 0.09  96.594% * 99.2715% (0.80   7.84 269.49) =  99.993%  kept
          HN    ILE   89 - QG2   ILE  119  18.80 +/- 2.49   0.846% *  0.3052% (0.97   0.02   0.02) =   0.003%
          HN    SER   37 - QG2   ILE  119  20.61 +/- 3.04   0.691% *  0.3155% (1.00   0.02   0.02) =   0.002%
          HN    CYS   21 - QG2   ILE  119  16.37 +/- 3.04   1.869% *  0.1079% (0.34   0.02   0.02) =   0.002%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3314 (0.60, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.868, support = 1.41, residual support = 7.08:
          QD2   LEU  115 - HG12  ILE  119   3.23 +/- 1.23  61.501% * 81.7226% (0.90   1.50   7.75) =  91.348%  kept
          QD1   LEU   63 - HG12  ILE  119   6.39 +/- 2.90  33.266% * 14.1833% (0.57   0.41   0.02) =   8.575%  kept
          QD1   LEU  104 - HG12  ILE  119  13.63 +/- 4.47   1.652% *  1.2150% (1.00   0.02   0.02) =   0.036%
          QD1   LEU   73 - HG12  ILE  119  14.53 +/- 3.88   1.588% *  0.6879% (0.57   0.02   0.02) =   0.020%
          QD2   LEU   80 - HG12  ILE  119  18.98 +/- 3.05   0.520% *  1.1216% (0.92   0.02   0.02) =   0.011%
          QG1   VAL   83 - HG12  ILE  119  18.95 +/- 1.85   0.398% *  0.8823% (0.73   0.02   0.02) =   0.006%
          QG2   ILE   89 - HG12  ILE  119  14.22 +/- 1.93   1.075% *  0.1875% (0.15   0.02   0.02) =   0.004%
    Distance limit 3.77 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3315 (0.60, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.871, support = 2.28, residual support = 7.15:
          QD2   LEU  115 - HG13  ILE  119   3.93 +/- 1.30  54.568% * 86.8650% (0.90   2.44   7.75) =  92.183%  kept
          QD1   LEU   63 - HG13  ILE  119   6.02 +/- 2.89  38.053% * 10.4563% (0.57   0.46   0.02) =   7.738%  kept
          QD1   LEU  104 - HG13  ILE  119  13.65 +/- 4.62   2.782% *  0.7949% (1.00   0.02   0.02) =   0.043%
          QD1   LEU   73 - HG13  ILE  119  14.35 +/- 3.89   2.001% *  0.4501% (0.57   0.02   0.02) =   0.018%
          QD2   LEU   80 - HG13  ILE  119  19.00 +/- 3.15   0.621% *  0.7338% (0.92   0.02   0.02) =   0.009%
          QG1   VAL   83 - HG13  ILE  119  19.07 +/- 1.99   0.519% *  0.5772% (0.73   0.02   0.02) =   0.006%
          QG2   ILE   89 - HG13  ILE  119  14.60 +/- 1.98   1.456% *  0.1227% (0.15   0.02   0.02) =   0.003%
    Distance limit 3.98 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3316 (0.17, 1.12, 30.83 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.02, residual support = 0.02:
          QG2   VAL   70 - HG13  ILE  119  11.39 +/- 3.00 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.68 A violated in 20 structures by 7.71 A, eliminated.
    Peak unassigned.
 
    Peak 3317 (7.19, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 3.81, residual support = 24.2:
          QD    PHE   59 - HG13  ILE  119   3.01 +/- 0.83  97.386% * 98.4975% (0.95   3.81  24.22) =  99.987%  kept
          HH2   TRP   49 - HG13  ILE  119  16.81 +/- 3.63   1.214% *  0.4570% (0.84   0.02   0.02) =   0.006%
          HE21  GLN   30 - HG13  ILE  119  19.83 +/- 3.61   0.724% *  0.5280% (0.97   0.02   0.02) =   0.004%
          HD1   TRP   27 - HG13  ILE  119  21.00 +/- 3.95   0.676% *  0.5176% (0.95   0.02   0.02) =   0.004%
    Distance limit 3.75 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3318 (7.91, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 8.18, residual support = 269.5:
          HN    ILE  119 - HG13  ILE  119   3.14 +/- 0.67  98.122% * 99.3018% (0.80   8.18 269.49) =  99.996%  kept
          HN    ILE   89 - HG13  ILE  119  20.08 +/- 2.76   0.617% *  0.2925% (0.97   0.02   0.02) =   0.002%
          HN    SER   37 - HG13  ILE  119  23.62 +/- 3.69   0.399% *  0.3024% (1.00   0.02   0.02) =   0.001%
          HN    CYS   21 - HG13  ILE  119  18.25 +/- 3.21   0.861% *  0.1034% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3319 (7.20, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 4.23, residual support = 24.2:
          QD    PHE   59 - HG12  ILE  119   3.05 +/- 0.47  97.425% * 99.0858% (0.84   4.23  24.22) =  99.993%  kept
          HH2   TRP   49 - HG12  ILE  119  16.22 +/- 3.63   1.677% *  0.1730% (0.31   0.02   0.02) =   0.003%
          HD1   TRP   27 - HG12  ILE  119  21.19 +/- 3.73   0.486% *  0.4683% (0.84   0.02   0.02) =   0.002%
          HE21  GLN   30 - HG12  ILE  119  20.27 +/- 3.31   0.412% *  0.2729% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.55 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3320 (7.91, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 8.61, residual support = 269.5:
          HN    ILE  119 - HG12  ILE  119   2.38 +/- 0.37  99.217% * 99.3364% (0.80   8.61 269.49) =  99.998%  kept
          HN    ILE   89 - HG12  ILE  119  19.60 +/- 2.85   0.267% *  0.2780% (0.97   0.02   0.02) =   0.001%
          HN    SER   37 - HG12  ILE  119  24.09 +/- 3.14   0.139% *  0.2874% (1.00   0.02   0.02) =   0.000%
          HN    CYS   21 - HG12  ILE  119  18.65 +/- 3.13   0.377% *  0.0982% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3321 (0.17, 1.02, 16.06 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 0.02, residual support = 0.02:
          QG2   VAL   70 - QD1   ILE  119  10.03 +/- 2.12 100.000% *100.0000% (0.66   0.02   0.02) = 100.000%  kept
    Distance limit 3.14 A violated in 20 structures by 6.90 A, eliminated.
    Peak unassigned.
 
    Peak 3322 (0.61, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.319, support = 2.98, residual support = 5.33:
          QD2   LEU  115 - QD1   ILE  119   2.92 +/- 1.18  61.867% * 50.9068% (0.40  1.00   3.94   7.75) =  68.624%  kept
        T QD1   LEU   63 - QD1   ILE  119   5.33 +/- 2.31  33.695% * 42.5399% (0.15 10.00   0.88   0.02) =  31.232%  kept
        T QD1   LEU  104 - QD1   ILE  119  12.26 +/- 3.47   1.056% *  4.3183% (0.66 10.00   0.02   0.02) =   0.099%
        T QD1   LEU   73 - QD1   ILE  119  12.35 +/- 3.18   1.258% *  0.9700% (0.15 10.00   0.02   0.02) =   0.027%
          QG2   ILE   89 - QD1   ILE  119  12.24 +/- 1.86   1.206% *  0.3559% (0.55  1.00   0.02   0.02) =   0.009%
          QG1   VAL   83 - QD1   ILE  119  16.18 +/- 1.85   0.405% *  0.6273% (0.96  1.00   0.02   0.02) =   0.006%
          QD2   LEU   80 - QD1   ILE  119  15.94 +/- 2.81   0.513% *  0.2818% (0.43  1.00   0.02   0.02) =   0.003%
    Distance limit 2.62 A violated in 0 structures by 0.24 A, kept.
 
    Peak 3323 (4.03, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.508, support = 3.93, residual support = 15.3:
        T HA    GLN  116 - QD1   ILE  119   2.86 +/- 0.82  93.581% * 99.4587% (0.51 10.00   3.93  15.31) =  99.994%  kept
          HA    VAL   70 - QD1   ILE  119  13.34 +/- 2.19   2.406% *  0.0995% (0.51  1.00   0.02   0.02) =   0.003%
          HA1   GLY   16 - QD1   ILE  119  18.07 +/- 3.95   1.038% *  0.1514% (0.77  1.00   0.02   0.02) =   0.002%
          HB2   SER   37 - QD1   ILE  119  19.36 +/- 2.63   0.590% *  0.1886% (0.96  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - QD1   ILE  119  14.82 +/- 3.21   1.621% *  0.0256% (0.13  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD1   ILE  119  21.79 +/- 2.48   0.374% *  0.0471% (0.24  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD1   ILE  119  21.63 +/- 3.05   0.390% *  0.0292% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.19 A, kept.
 
    Peak 3324 (6.72, 1.02, 16.06 ppm):
    2 chemical-shift based assignments, quality = 0.823, support = 0.02, residual support = 0.02:
        T HZ    PHE   72 - QD1   ILE  119  10.24 +/- 2.13  50.511% * 81.6578% (0.96 10.00   0.02   0.02) =  81.962%  kept
        T QD    PHE   72 - QD1   ILE  119  10.26 +/- 2.03  49.489% * 18.3422% (0.21 10.00   0.02   0.02) =  18.038%  kept
    Distance limit 3.37 A violated in 20 structures by 5.53 A, eliminated.
    Peak unassigned.
 
    Peak 3325 (7.00, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.664, support = 0.02, residual support = 0.02:
          QD    PHE   95 - QD1   ILE  119   7.31 +/- 3.24  50.871% * 23.3518% (0.47   0.02   0.02) =  39.508%  kept
          HN    ALA   47 - QD1   ILE  119  11.93 +/- 3.12  21.096% * 47.5501% (0.96   0.02   0.02) =  33.363%  kept
          QE    PHE   72 - QD1   ILE  119   9.43 +/- 1.76  28.033% * 29.0981% (0.59   0.02   0.02) =  27.129%  kept
    Distance limit 3.42 A violated in 17 structures by 2.88 A, eliminated.
    Peak unassigned.
 
    Peak 3326 (7.23, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.858, support = 1.58, residual support = 19.2:
          HN    HIS  122 - QD1   ILE  119   6.08 +/- 0.46  26.422% * 98.2360% (0.87   1.60  19.12) =  98.664%  kept
          HN    PHE   59 - QD1   ILE  119   4.05 +/- 0.71  72.682% *  0.4675% (0.33   0.02  24.22) =   1.292%  kept
          HH2   TRP   87 - QD1   ILE  119  18.70 +/- 2.47   0.896% *  1.2965% (0.91   0.02   0.02) =   0.044%
    Distance limit 3.57 A violated in 1 structures by 0.45 A, kept.
 
    Peak 3327 (7.92, 1.02, 16.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 7.0, residual support = 269.5:
          HN    ILE  119 - QD1   ILE  119   3.64 +/- 0.19  95.404% * 99.2849% (0.95   7.00 269.49) =  99.990%  kept
          HN    CYS   21 - QD1   ILE  119  15.57 +/- 2.75   2.063% *  0.2416% (0.81   0.02   0.02) =   0.005%
          HN    ILE   89 - QD1   ILE  119  17.00 +/- 2.58   1.209% *  0.2416% (0.81   0.02   0.02) =   0.003%
          HN    SER   37 - QD1   ILE  119  20.52 +/- 2.55   0.665% *  0.1872% (0.62   0.02   0.02) =   0.001%
          HN    LYS+  33 - QD1   ILE  119  20.56 +/- 2.60   0.659% *  0.0446% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3328 (0.88, 3.95, 55.35 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.22, residual support = 29.5:
        T QD1   LEU  123 - HA    ALA  120   2.64 +/- 0.53  92.789% * 99.1996% (0.45 10.00   5.22  29.45) =  99.989%  kept
          HB3   LEU   63 - HA    ALA  120  12.75 +/- 3.16   2.107% *  0.2169% (0.98  1.00   0.02   0.02) =   0.005%
          QG1   VAL   70 - HA    ALA  120  13.64 +/- 3.98   1.634% *  0.1520% (0.69  1.00   0.02   0.02) =   0.003%
          QG1   VAL   18 - HA    ALA  120  16.83 +/- 4.16   0.759% *  0.1772% (0.80  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HA    ALA  120  16.14 +/- 1.95   0.634% *  0.1164% (0.53  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    ALA  120  17.35 +/- 7.06   1.581% *  0.0388% (0.18  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HA    ALA  120  17.68 +/- 3.29   0.497% *  0.0992% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3329 (7.45, 3.95, 55.35 ppm):
    4 chemical-shift based assignments, quality = 0.563, support = 5.0, residual support = 22.7:
          HN    LEU  123 - HA    ALA  120   2.65 +/- 0.08  49.662% * 47.2693% (0.80   1.0   6.04  29.45) =  59.213%  kept
      O   HN    ALA  120 - HA    ALA  120   2.74 +/- 0.04  44.761% * 34.2419% (0.18  10.0   3.58  13.50) =  38.661%  kept
          HN    ALA  124 - HA    ALA  120   5.88 +/- 0.27   4.596% * 18.2933% (0.98   1.0   1.91   0.02) =   2.121%  kept
          HE21  GLN   17 - HA    ALA  120  23.07 +/- 6.29   0.980% *  0.1955% (1.00   1.0   0.02   0.02) =   0.005%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3331 (7.49, 3.94, 58.66 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 6.45, residual support = 313.1:
      O   HN    LYS+ 121 - HA    LYS+ 121   2.76 +/- 0.01  94.242% * 99.7700% (0.45  10.0   6.45 313.10) =  99.998%  kept
          HZ2   TRP   49 - HA    LYS+ 121  21.94 +/- 5.82   0.622% *  0.2105% (0.95   1.0   0.02   0.02) =   0.001%
          HZ2   TRP   49 - HA    LYS+  65  19.63 +/- 4.49   4.590% *  0.0132% (0.06   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 121 - HA    LYS+  65  16.94 +/- 2.37   0.546% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3332 (3.69, 1.66, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.914, support = 3.46, residual support = 6.93:
          HA    THR  118 - HB2   LYS+ 121   3.43 +/- 0.80  61.042% * 39.3337% (0.87   2.95   5.64) =  52.294%  kept
          HA    ILE  119 - HB2   LYS+ 121   4.41 +/- 0.32  36.568% * 59.8870% (0.97   4.03   8.33) =  47.697%  kept
          HA2   GLY  109 - HB2   LYS+ 121  16.70 +/- 3.40   0.943% *  0.1743% (0.57   0.02   0.02) =   0.004%
          HB2   TRP   49 - HB2   LYS+ 121  22.96 +/- 5.19   0.556% *  0.2842% (0.92   0.02   0.02) =   0.003%
          HA    ALA   84 - HB2   LYS+ 121  22.22 +/- 2.89   0.289% *  0.2353% (0.76   0.02   0.02) =   0.001%
          HA    VAL   75 - HB2   LYS+ 121  18.46 +/- 3.11   0.602% *  0.0856% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3333 (3.69, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.731, support = 2.3, residual support = 5.86:
        T HA    THR  118 - HB3   LYS+ 121   3.73 +/- 0.48  71.857% * 79.5146% (0.72 10.00   2.10   5.64) =  91.879%  kept
          HA    ILE  119 - HB3   LYS+ 121   5.49 +/- 0.41  24.928% * 20.2533% (0.81  1.00   4.58   8.33) =   8.118%  kept
          HB2   TRP   49 - HB3   LYS+ 121  23.75 +/- 5.34   0.758% *  0.0846% (0.77  1.00   0.02   0.02) =   0.001%
          HA2   GLY  109 - HB3   LYS+ 121  16.96 +/- 3.60   1.143% *  0.0519% (0.47  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HB3   LYS+ 121  22.58 +/- 3.09   0.387% *  0.0701% (0.64  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   LYS+ 121  19.03 +/- 3.45   0.928% *  0.0255% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3334 (7.51, 1.52, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.749, support = 6.38, residual support = 313.1:
      O   HN    LYS+ 121 - HB3   LYS+ 121   2.74 +/- 0.37  99.299% * 99.9582% (0.75  10.0   6.38 313.10) = 100.000%  kept
          HZ2   TRP   49 - HB3   LYS+ 121  20.61 +/- 5.42   0.701% *  0.0418% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3335 (7.23, 1.52, 32.89 ppm):
    3 chemical-shift based assignments, quality = 0.749, support = 6.38, residual support = 54.9:
          HN    HIS  122 - HB3   LYS+ 121   4.06 +/- 0.37  95.077% * 99.5519% (0.75   6.38  54.95) =  99.992%  kept
          HN    PHE   59 - HB3   LYS+ 121  12.43 +/- 1.25   4.061% *  0.1188% (0.28   0.02   0.02) =   0.005%
          HH2   TRP   87 - HB3   LYS+ 121  22.36 +/- 4.54   0.862% *  0.3294% (0.79   0.02   0.02) =   0.003%
    Distance limit 3.87 A violated in 0 structures by 0.30 A, kept.
 
    Peak 3336 (7.21, 1.66, 32.89 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 7.74, residual support = 54.7:
          HN    HIS  122 - HB2   LYS+ 121   3.38 +/- 0.21  89.784% * 94.5524% (0.41   7.78  54.95) =  99.465%  kept
          QD    PHE   59 - HB2   LYS+ 121   7.36 +/- 0.53   9.158% *  4.9581% (0.34   0.49   0.02) =   0.532%  kept
          HH2   TRP   87 - HB2   LYS+ 121  22.15 +/- 4.30   0.505% *  0.2878% (0.49   0.02   0.02) =   0.002%
          HD1   TRP   27 - HB2   LYS+ 121  22.09 +/- 4.86   0.553% *  0.2017% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3337 (7.50, 1.66, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 6.96, residual support = 313.1:
      O   HN    LYS+ 121 - HB2   LYS+ 121   2.33 +/- 0.27  99.618% * 99.9061% (0.92  10.0   6.96 313.10) = 100.000%  kept
          HZ2   TRP   49 - HB2   LYS+ 121  20.00 +/- 5.20   0.382% *  0.0939% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3340 (0.94, 3.45, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.498, support = 1.5, residual support = 17.4:
          QG2   ILE  119 - HB2   HIS  122   4.51 +/- 1.02  47.087% * 79.8146% (0.53   1.58  19.12) =  91.007%  kept
          QD1   LEU   40 - HB2   HIS  122  12.14 +/- 6.05  24.259% * 14.2245% (0.20   0.75   0.02) =   8.356%  kept
          QD2   LEU   67 - HB2   HIS  122  11.36 +/- 5.45  25.240% *  0.7880% (0.41   0.02   0.02) =   0.482%  kept
          QD1   ILE  103 - HB2   HIS  122  17.79 +/- 4.81   1.133% *  4.6950% (0.34   0.14   0.02) =   0.129%  kept
          QD2   LEU   71 - HB2   HIS  122  14.04 +/- 3.61   2.282% *  0.4779% (0.25   0.02   0.02) =   0.026%
    Distance limit 3.59 A violated in 0 structures by 0.37 A, kept.
 
    Peak 3341 (0.61, 3.45, 31.73 ppm):
    7 chemical-shift based assignments, quality = 0.506, support = 0.02, residual support = 0.02:
          QD1   LEU  104 - HB2   HIS  122  13.60 +/- 7.23  19.703% * 20.0916% (0.69   0.02   0.02) =  36.669%  kept
          QD2   LEU  115 - HB2   HIS  122   9.13 +/- 1.25  27.626% * 12.0248% (0.41   0.02   0.02) =  30.771%  kept
          QD1   LEU   63 - HB2   HIS  122   8.25 +/- 3.05  35.717% *  4.5130% (0.15   0.02   0.02) =  14.931%  kept
          QG1   VAL   83 - HB2   HIS  122  21.35 +/- 2.77   2.015% * 29.1845% (1.00   0.02   0.02) =   5.448%  kept
          QG2   ILE   89 - HB2   HIS  122  18.12 +/- 2.71   3.357% * 16.5597% (0.57   0.02   0.02) =   5.150%  kept
          QD1   LEU   73 - HB2   HIS  122  15.48 +/- 3.96   8.832% *  4.5130% (0.15   0.02   0.02) =   3.692%  kept
          QD2   LEU   80 - HB2   HIS  122  21.02 +/- 3.68   2.749% * 13.1134% (0.45   0.02   0.02) =   3.340%  kept
    Distance limit 4.16 A violated in 14 structures by 2.37 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 3342 (6.83, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.6, residual support = 71.4:
      O   HD2   HIS  122 - HB2   HIS  122   3.79 +/- 0.35  91.883% * 99.8219% (1.00  10.0   3.60  71.38) =  99.993%  kept
          HE22  GLN  116 - HB2   HIS  122  10.82 +/- 2.42   5.440% *  0.0996% (1.00   1.0   0.02   0.02) =   0.006%
          QD    PHE   45 - HB2   HIS  122  16.91 +/- 2.79   1.424% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
          HE22  GLN   17 - HB2   HIS  122  20.04 +/- 4.99   1.253% *  0.0410% (0.41   1.0   0.02   0.02) =   0.001%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3343 (7.21, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.38, residual support = 71.3:
      O   HN    HIS  122 - HB2   HIS  122   3.50 +/- 0.39  87.871% * 98.4973% (0.41  10.0   5.38  71.38) =  99.833%  kept
          QD    PHE   59 - HB2   HIS  122   7.53 +/- 1.44  11.027% *  1.3044% (0.34   1.0   0.32   0.02) =   0.166%  kept
          HD1   TRP   27 - HB2   HIS  122  21.96 +/- 5.21   0.649% *  0.0817% (0.34   1.0   0.02   0.02) =   0.001%
          HH2   TRP   87 - HB2   HIS  122  23.93 +/- 4.67   0.453% *  0.1166% (0.49   1.0   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3344 (6.83, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.3, residual support = 71.4:
      O   HD2   HIS  122 - HB3   HIS  122   3.07 +/- 0.40  93.792% * 99.8219% (1.00  10.0   4.30  71.38) =  99.994%  kept
          HE22  GLN  116 - HB3   HIS  122   9.95 +/- 2.25   4.759% *  0.0996% (1.00   1.0   0.02   0.02) =   0.005%
          QD    PHE   45 - HB3   HIS  122  16.26 +/- 2.76   0.806% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   HIS  122  20.32 +/- 5.00   0.643% *  0.0410% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3345 (7.23, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 6.6, residual support = 71.4:
      O   HN    HIS  122 - HB3   HIS  122   2.79 +/- 0.42  96.657% * 99.8567% (0.90  10.0   6.60  71.38) =  99.999%  kept
          HN    PHE   59 - HB3   HIS  122  10.11 +/- 2.01   3.086% *  0.0380% (0.34   1.0   0.02   0.02) =   0.001%
          HH2   TRP   87 - HB3   HIS  122  23.56 +/- 4.45   0.257% *  0.1053% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3346 (0.94, 2.76, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.515, support = 1.66, residual support = 17.9:
          QG2   ILE  119 - HB3   HIS  122   3.79 +/- 1.17  55.391% * 82.5335% (0.53  1.00   1.75  19.12) =  93.497%  kept
          QD2   LEU   67 - HB3   HIS  122  11.45 +/- 4.98  17.953% * 12.8664% (0.41  1.00   0.35   0.02) =   4.724%  kept
        T QD1   LEU   40 - HB3   HIS  122  12.07 +/- 5.89  24.206% *  3.5430% (0.20 10.00   0.02   0.02) =   1.754%  kept
          QD2   LEU   71 - HB3   HIS  122  14.17 +/- 3.39   1.682% *  0.4464% (0.25  1.00   0.02   0.02) =   0.015%
          QD1   ILE  103 - HB3   HIS  122  17.37 +/- 4.71   0.768% *  0.6107% (0.34  1.00   0.02   0.02) =   0.010%
    Distance limit 3.66 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3347 (3.95, 1.85, 26.16 ppm):
    10 chemical-shift based assignments, quality = 0.677, support = 3.1, residual support = 29.0:
          HA    ALA  120 - HG    LEU  123   2.56 +/- 0.91  81.462% * 78.8847% (0.68  1.00   3.14  29.45) =  98.346%  kept
          HA    LYS+ 121 - HG    LEU  123   6.81 +/- 0.63   6.684% * 13.5508% (0.47  1.00   0.78   2.32) =   1.386%  kept
          QB    SER   48 - HG    LEU  123  22.17 +/- 4.76   3.086% *  4.0958% (0.60  1.00   0.19   0.02) =   0.193%  kept
        T HD2   PRO   52 - HG    LEU  123  19.34 +/- 4.29   2.370% *  1.2656% (0.17 10.00   0.02   0.02) =   0.046%
          QB    SER  117 - HG    LEU  123   8.83 +/- 0.92   2.800% *  0.1731% (0.23  1.00   0.02   0.02) =   0.007%
          HA2   GLY   51 - HG    LEU  123  20.59 +/- 4.20   1.364% *  0.3078% (0.42  1.00   0.02   0.02) =   0.006%
          HA    LYS+  65 - HG    LEU  123  16.47 +/- 2.79   0.728% *  0.4239% (0.57  1.00   0.02   0.02) =   0.005%
          HA2   GLY   16 - HG    LEU  123  23.47 +/- 6.69   0.590% *  0.4552% (0.62  1.00   0.02   0.02) =   0.004%
          HB    THR   94 - HG    LEU  123  19.57 +/- 2.13   0.679% *  0.3879% (0.52  1.00   0.02   0.02) =   0.004%
          QB    SER   85 - HG    LEU  123  26.94 +/- 2.93   0.238% *  0.4552% (0.62  1.00   0.02   0.02) =   0.002%
    Distance limit 4.16 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3348 (7.48, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.361, support = 5.43, residual support = 199.3:
          HN    LEU  123 - HG    LEU  123   3.39 +/- 0.38  73.784% * 94.1554% (0.36   5.51 202.21) =  98.562%  kept
          HZ2   TRP   49 - HG    LEU  123  20.50 +/- 6.83  17.535% *  5.7159% (0.33   0.36   0.02) =   1.422%  kept
          HE21  GLN   17 - HG    LEU  123  22.76 +/- 6.42   8.680% *  0.1286% (0.14   0.02   0.02) =   0.016%
    Distance limit 3.82 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3349 (3.95, 1.63, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.983, support = 3.08, residual support = 28.8:
          HA    ALA  120 - HB3   LEU  123   3.61 +/- 0.28  79.574% * 82.8939% (0.99   3.14  29.45) =  97.560%  kept
          HA    LYS+ 121 - HB3   LEU  123   6.98 +/- 0.34  11.435% * 14.1953% (0.69   0.77   2.32) =   2.401%  kept
          QB    SER  117 - HB3   LEU  123  10.16 +/- 0.42   3.656% *  0.1819% (0.34   0.02   0.02) =   0.010%
          HA2   GLY   16 - HB3   LEU  123  24.35 +/- 7.40   1.062% *  0.4783% (0.90   0.02   0.02) =   0.008%
          QB    SER   48 - HB3   LEU  123  24.03 +/- 4.98   0.981% *  0.4626% (0.87   0.02   0.02) =   0.007%
          HA    LYS+  65 - HB3   LEU  123  17.99 +/- 3.13   0.931% *  0.4455% (0.84   0.02   0.02) =   0.006%
          HA2   GLY   51 - HB3   LEU  123  22.75 +/- 4.46   0.629% *  0.3235% (0.61   0.02   0.02) =   0.003%
          HB    THR   94 - HB3   LEU  123  21.71 +/- 2.33   0.472% *  0.4076% (0.76   0.02   0.02) =   0.003%
          HD2   PRO   52 - HB3   LEU  123  21.51 +/- 4.67   1.053% *  0.1330% (0.25   0.02   0.02) =   0.002%
          QB    SER   85 - HB3   LEU  123  28.70 +/- 3.14   0.207% *  0.4783% (0.90   0.02   0.02) =   0.001%
    Distance limit 3.96 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3350 (7.46, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.91, support = 5.34, residual support = 170.0:
      O   HN    LEU  123 - HB3   LEU  123   3.56 +/- 0.09  37.327% * 88.3751% (0.98  10.0   5.51 202.21) =  83.037%  kept
          HN    ALA  124 - HB3   LEU  123   3.06 +/- 0.12  58.255% * 11.5630% (0.57   1.0   4.53  12.23) =  16.956%  kept
          HE21  GLN   17 - HB3   LEU  123  23.82 +/- 6.94   4.418% *  0.0619% (0.69   1.0   0.02   0.02) =   0.007%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3351 (3.95, 1.68, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.951, support = 2.87, residual support = 25.9:
          HA    ALA  120 - HB2   LEU  123   2.14 +/- 0.72  88.956% * 33.7776% (0.99  1.00   3.17  29.45) =  86.976%  kept
        T HA    LYS+ 121 - HB2   LEU  123   5.56 +/- 0.62   7.067% * 63.4342% (0.69 10.00   0.86   2.32) =  12.976%  kept
        T HA    LYS+  65 - HB2   LEU  123  17.60 +/- 2.86   0.745% *  1.7949% (0.84 10.00   0.02   0.02) =   0.039%
          QB    SER  117 - HB2   LEU  123   8.92 +/- 0.74   1.941% *  0.0733% (0.34  1.00   0.02   0.02) =   0.004%
          HA2   GLY   16 - HB2   LEU  123  23.95 +/- 6.91   0.228% *  0.1927% (0.90  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HB2   LEU  123  23.41 +/- 4.74   0.230% *  0.1864% (0.87  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HB2   LEU  123  20.55 +/- 2.25   0.244% *  0.1642% (0.76  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB2   LEU  123  22.28 +/- 4.21   0.194% *  0.1303% (0.61  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB2   LEU  123  27.74 +/- 2.92   0.115% *  0.1927% (0.90  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HB2   LEU  123  20.89 +/- 4.46   0.281% *  0.0536% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3352 (7.46, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.968, support = 5.9, residual support = 196.6:
      O   HN    LEU  123 - HB2   LEU  123   2.43 +/- 0.31  77.852% * 89.0586% (0.98  10.0   5.95 202.21) =  97.024%  kept
          HN    ALA  124 - HB2   LEU  123   4.10 +/- 0.14  19.537% * 10.8790% (0.57   1.0   4.23  12.23) =   2.974%  kept
          HE21  GLN   17 - HB2   LEU  123  23.38 +/- 6.65   2.612% *  0.0624% (0.69   1.0   0.02   0.02) =   0.002%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3353 (3.97, 0.86, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.564, support = 5.2, residual support = 29.3:
        T HA    ALA  120 - QD1   LEU  123   2.64 +/- 0.53  82.169% * 94.0683% (0.57 10.00   5.22  29.45) =  99.306%  kept
          HA    LYS+ 121 - QD1   LEU  123   5.43 +/- 0.17  11.710% *  4.5315% (0.20  1.00   2.76   2.32) =   0.682%  kept
        T HA    SER   48 - QD1   LEU  123  18.81 +/- 4.18   0.647% *  0.5128% (0.31 10.00   0.02   0.02) =   0.004%
          HA    LYS+  65 - QD1   LEU  123  12.64 +/- 2.42   1.445% *  0.1572% (0.95  1.00   0.02   0.02) =   0.003%
          HA2   GLY   16 - QD1   LEU  123  18.55 +/- 5.67   0.766% *  0.1490% (0.90  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - QD1   LEU  123  15.83 +/- 3.59   0.810% *  0.1270% (0.76  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - QD1   LEU  123  18.02 +/- 3.80   0.677% *  0.0567% (0.34  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  123  22.06 +/- 2.47   0.196% *  0.1490% (0.90  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  123  15.91 +/- 2.09   0.517% *  0.0414% (0.25  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD1   LEU  123  22.20 +/- 3.58   0.211% *  0.0941% (0.57  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD1   LEU  123  22.75 +/- 2.88   0.208% *  0.0874% (0.53  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  123  16.81 +/- 3.52   0.641% *  0.0256% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3354 (7.46, 1.35, 20.20 ppm):
    3 chemical-shift based assignments, quality = 0.577, support = 1.84, residual support = 9.24:
      O   HN    ALA  124 - QB    ALA  124   2.29 +/- 0.28  90.279% * 79.2916% (0.57  10.0   1.81   9.16) =  97.381%  kept
          HN    LEU  123 - QB    ALA  124   5.39 +/- 0.38   9.343% * 20.6022% (0.98   1.0   2.72  12.23) =   2.618%  kept
          HE21  GLN   17 - QB    ALA  124  20.74 +/- 6.01   0.378% *  0.1062% (0.69   1.0   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3355 (7.45, 4.11, 54.16 ppm):
    8 chemical-shift based assignments, quality = 0.977, support = 1.83, residual support = 9.22:
      O   HN    ALA  124 - HA    ALA  124   2.79 +/- 0.20  82.458% * 88.9399% (0.98  10.0   1.81   9.16) =  98.172%  kept
          HN    LEU  123 - HA    ALA  124   5.38 +/- 0.33  12.508% * 10.9081% (0.80   1.0   2.72  12.23) =   1.826%  kept
          HE21  GLN   17 - HA    ALA  124  24.68 +/- 7.09   0.681% *  0.1002% (1.00   1.0   0.02   0.02) =   0.001%
          HN    ALA  120 - HA    ALA  124   9.27 +/- 0.69   2.539% *  0.0175% (0.18   1.0   0.02   0.02) =   0.001%
          HE21  GLN   17 - HA    ALA   34  13.87 +/- 3.22   1.103% *  0.0116% (0.12   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - HA    ALA   34  23.11 +/- 4.98   0.287% *  0.0093% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   34  25.54 +/- 5.70   0.226% *  0.0114% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   34  23.59 +/- 3.76   0.198% *  0.0020% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3356 (7.45, 4.38, 55.67 ppm):
    4 chemical-shift based assignments, quality = 0.929, support = 4.66, residual support = 66.2:
      O   HN    ALA  124 - HA    LEU  123   2.27 +/- 0.03  65.381% * 55.0021% (0.98  10.0   4.15  12.23) =  71.571%  kept
      O   HN    LEU  123 - HA    LEU  123   2.88 +/- 0.05  31.790% * 44.9320% (0.80  10.0   5.93 202.21) =  28.428%  kept
          HE21  GLN   17 - HA    LEU  123  22.49 +/- 6.57   0.463% *  0.0561% (1.00   1.0   0.02   0.02) =   0.001%
          HN    ALA  120 - HA    LEU  123   6.89 +/- 0.25   2.366% *  0.0098% (0.18   1.0   0.02  29.45) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3357 (9.01, 4.38, 55.67 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HN    VAL   41 - HA    LEU  123  20.07 +/- 5.28 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 3.35 A violated in 20 structures by 16.72 A, eliminated.
    Peak unassigned.
 
    Peak 3358 (8.63, 4.60, 54.68 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.98, residual support = 23.2:
      O   HN    ILE  103 - HA    LYS+ 102   2.34 +/- 0.15  99.108% * 99.7350% (0.69  10.0   5.98  23.23) =  99.999%  kept
          HN    GLN   90 - HA    LYS+ 102  19.39 +/- 1.80   0.193% *  0.1259% (0.87   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LYS+ 102  21.97 +/- 4.62   0.215% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    LYS+ 102  20.63 +/- 4.96   0.295% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    LYS+ 102  19.16 +/- 0.78   0.189% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3359 (9.88, 4.95, 63.38 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 3.16, residual support = 14.6:
      O   HN    PHE   95 - HA    THR   94   2.24 +/- 0.10 100.000% *100.0000% (0.73  10.0   3.16  14.59) = 100.000%  kept
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3360 (8.08, 1.41, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.87, residual support = 85.4:
      O   HN    LEU   80 - HB2   LEU   80   3.27 +/- 0.60  96.128% * 99.7811% (1.00  10.0   5.87  85.37) =  99.997%  kept
          HN    ALA   34 - HB2   LEU   80  18.48 +/- 4.85   1.297% *  0.0965% (0.97   1.0   0.02   0.02) =   0.001%
          HN    CYS   53 - HB2   LEU   80  18.79 +/- 4.34   1.110% *  0.0946% (0.95   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HB2   LEU   80  18.16 +/- 5.18   1.465% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3361 (8.08, 1.34, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.34, residual support = 85.4:
      O   HN    LEU   80 - HB3   LEU   80   3.28 +/- 0.42  96.549% * 99.7811% (1.00  10.0   6.34  85.37) =  99.997%  kept
          HN    CYS   53 - HB3   LEU   80  18.67 +/- 4.37   1.615% *  0.0946% (0.95   1.0   0.02   0.02) =   0.002%
          HN    ALA   34 - HB3   LEU   80  18.87 +/- 5.19   0.878% *  0.0965% (0.97   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HB3   LEU   80  18.57 +/- 5.29   0.958% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3362 (4.81, 1.34, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.978, support = 5.32, residual support = 85.0:
      O   HA    LEU   80 - HB3   LEU   80   2.88 +/- 0.13  81.560% * 95.4566% (0.98  10.0   5.34  85.37) =  99.528%  kept
          HA    ASP-  78 - HB3   LEU   80   6.87 +/- 0.91   8.900% *  3.3212% (0.61   1.0   1.12   6.16) =   0.378%  kept
          HA    THR   23 - HB3   LEU   80  12.00 +/- 6.39   6.648% *  1.0718% (0.90   1.0   0.25   0.74) =   0.091%
          HB    THR   23 - HB3   LEU   80  13.61 +/- 5.89   2.624% *  0.0873% (0.90   1.0   0.02   0.74) =   0.003%
          HA    ASP- 105 - HB3   LEU   80  20.64 +/- 2.90   0.269% *  0.0630% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3363 (1.34, 1.34, 40.36 ppm):
    1 diagonal assignment:
    *     HB3   LEU   80 - HB3   LEU   80  (1.00)  kept
 
    Peak 3364 (0.58, 1.34, 40.36 ppm):
    9 chemical-shift based assignments, quality = 0.453, support = 4.28, residual support = 85.3:
      O   QD2   LEU   80 - HB3   LEU   80   2.96 +/- 0.40  37.621% * 77.3053% (0.57  10.0  1.00   4.10  85.37) =  73.769%  kept
      O   QD1   LEU   80 - HB3   LEU   80   2.51 +/- 0.35  55.775% * 18.4793% (0.14  10.0  1.00   4.81  85.37) =  26.143%  kept
        T QD1   LEU   73 - HB3   LEU   80  10.75 +/- 3.37   1.981% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.063%
        T QD1   LEU   63 - HB3   LEU   80  14.90 +/- 2.82   0.333% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.011%
        T QD2   LEU   63 - HB3   LEU   80  15.35 +/- 2.64   0.275% *  1.0934% (0.80   1.0 10.00   0.02   0.02) =   0.008%
        T QD1   LEU  104 - HB3   LEU   80  17.12 +/- 3.26   0.228% *  0.4658% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          QG2   VAL   41 - HB3   LEU   80  12.78 +/- 4.05   2.299% *  0.0340% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   98 - HB3   LEU   80  12.38 +/- 4.03   1.283% *  0.0185% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB3   LEU   80  16.84 +/- 2.82   0.204% *  0.0828% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3365 (4.81, 1.44, 26.98 ppm):
    20 chemical-shift based assignments, quality = 0.633, support = 4.89, residual support = 84.8:
      O   HA    LEU   80 - HG    LEU   80   3.24 +/- 0.56  57.987% * 95.7619% (0.63  10.0   4.92  85.37) =  99.351%  kept
          HA    ASP-  78 - HG    LEU   80   7.85 +/- 1.50   9.877% *  2.4259% (0.39   1.0   0.82   6.16) =   0.429%  kept
          HA    THR   23 - HG    LEU   80  11.76 +/- 7.07  10.536% *  1.0753% (0.58   1.0   0.25   0.74) =   0.203%  kept
          HB    THR   23 - HG    LEU   80  13.21 +/- 6.56   3.629% *  0.0876% (0.58   1.0   0.02   0.74) =   0.006%
          HA    THR   23 - HG    LEU   73   9.83 +/- 1.95   3.237% *  0.0348% (0.23   1.0   0.02   0.25) =   0.002%
          HB    THR   23 - HG    LEU   73  10.84 +/- 2.26   2.378% *  0.0348% (0.23   1.0   0.02   0.25) =   0.001%
          HA    ASP- 105 - HG    LEU   40  14.08 +/- 5.13   1.647% *  0.0476% (0.31   1.0   0.02   0.02) =   0.001%
          HA    LEU   80 - HG    LEU   73  14.27 +/- 3.67   1.362% *  0.0380% (0.25   1.0   0.02   0.02) =   0.001%
          HA    ASP-  78 - HG12  ILE   19  18.69 +/- 4.08   2.180% *  0.0202% (0.13   1.0   0.02   0.02) =   0.001%
          HA    LEU   80 - HG    LEU   40  19.95 +/- 4.40   0.599% *  0.0721% (0.48   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HG12  ILE   19  13.05 +/- 1.35   1.233% *  0.0298% (0.20   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HG12  ILE   19  12.98 +/- 0.69   1.106% *  0.0298% (0.20   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HG    LEU   40  18.64 +/- 2.96   0.436% *  0.0659% (0.44   1.0   0.02   0.02) =   0.001%
          HA    LEU   80 - HG12  ILE   19  17.57 +/- 4.30   0.785% *  0.0326% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   40  19.72 +/- 2.99   0.371% *  0.0659% (0.44   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   73  16.94 +/- 3.59   0.936% *  0.0251% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   80  21.93 +/- 3.19   0.258% *  0.0632% (0.42   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   73  15.95 +/- 1.33   0.576% *  0.0235% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG12  ILE   19  20.30 +/- 3.50   0.586% *  0.0215% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   40  21.44 +/- 2.53   0.281% *  0.0446% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3367 (8.96, 1.44, 26.98 ppm):
    16 chemical-shift based assignments, quality = 0.2, support = 5.21, residual support = 144.3:
          HN    LEU   73 - HG    LEU   73   2.70 +/- 0.73  40.225% * 42.0509% (0.20   5.68 170.59) =  74.145%  kept
          HN    VAL   42 - HG    LEU   40   5.48 +/- 1.26   8.695% * 33.1931% (0.37   2.37   1.79) =  12.650%  kept
          HN    ILE   19 - HG12  ILE   19   3.20 +/- 0.74  29.299% *  8.0052% (0.03   6.25 170.53) =  10.281%  kept
          HN    VAL   42 - HG    LEU   73   7.17 +/- 2.18   3.993% * 10.0377% (0.20   1.36   0.49) =   1.757%  kept
          HN    ILE   19 - HG    LEU   73   6.62 +/- 3.65   5.692% *  4.2858% (0.04   2.87   5.31) =   1.069%  kept
          HN    LEU   73 - HG12  ILE   19   7.21 +/- 3.37   5.037% *  0.1269% (0.17   0.02   5.31) =   0.028%
          HN    LEU   73 - HG    LEU   40   8.71 +/- 2.42   2.250% *  0.2806% (0.37   0.02   0.02) =   0.028%
          HN    LEU   73 - HG    LEU   80  13.64 +/- 4.79   0.885% *  0.3730% (0.49   0.02   0.02) =   0.014%
          HN    VAL   42 - HG    LEU   80  15.29 +/- 4.67   0.453% *  0.3730% (0.49   0.02   0.02) =   0.007%
          HN    VAL   42 - HG12  ILE   19  10.35 +/- 3.35   1.191% *  0.1269% (0.17   0.02   0.02) =   0.007%
          HN    LYS+ 106 - HG    LEU   40  14.62 +/- 4.41   0.361% *  0.3067% (0.41   0.02   0.02) =   0.005%
          HN    LYS+ 106 - HG    LEU   73  16.69 +/- 3.52   0.424% *  0.1618% (0.21   0.02   0.02) =   0.003%
          HN    ILE   19 - HG    LEU   40  11.46 +/- 3.65   0.979% *  0.0567% (0.08   0.02   0.02) =   0.002%
          HN    LYS+ 106 - HG    LEU   80  21.15 +/- 3.06   0.090% *  0.4076% (0.54   0.02   0.02) =   0.002%
          HN    ILE   19 - HG    LEU   80  15.57 +/- 4.48   0.299% *  0.0753% (0.10   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG12  ILE   19  20.65 +/- 3.13   0.127% *  0.1387% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3371 (1.72, 1.72, 37.34 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  99 - HB3   LYS+  99  (1.00)  kept
 
    Peak 3372 (4.39, 1.72, 37.34 ppm):
    9 chemical-shift based assignments, quality = 0.763, support = 6.02, residual support = 173.5:
      O T HA    LYS+  99 - HB3   LYS+  99   2.81 +/- 0.32  79.430% * 93.1719% (0.76  10.0 10.00   6.07 175.13) =  99.004%  kept
          HA    LEU   40 - HB3   LYS+  99  10.08 +/- 7.70  15.347% *  4.8040% (0.65   1.0  1.00   1.22   8.09) =   0.986%  kept
        T HA    ILE   56 - HB3   LYS+  99  23.11 +/- 3.26   0.207% *  1.1254% (0.92   1.0 10.00   0.02   0.02) =   0.003%
          HA    ASN   35 - HB3   LYS+  99  14.21 +/- 6.75   1.610% *  0.1093% (0.90   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ASP- 113 - HB3   LYS+  99  23.18 +/- 2.91   0.182% *  0.5012% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB3   LYS+  99  23.37 +/- 6.54   1.540% *  0.0547% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB3   LYS+  99  21.65 +/- 7.78   0.437% *  0.1195% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HB3   LYS+  99  18.50 +/- 5.64   0.894% *  0.0547% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB3   LYS+  99  21.12 +/- 3.50   0.354% *  0.0593% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3373 (8.35, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 3.89, residual support = 175.1:
      O   HN    LYS+  99 - HB3   LYS+  99   3.04 +/- 0.41  91.434% * 99.4797% (0.31  10.0   3.89 175.13) =  99.988%  kept
          HN    ASN   35 - HB3   LYS+  99  14.53 +/- 5.75   2.316% *  0.2692% (0.84   1.0   0.02   0.02) =   0.007%
          HE1   HIS  122 - HB3   LYS+  99  17.08 +/- 8.87   2.980% *  0.0804% (0.25   1.0   0.02   0.02) =   0.003%
          HN    ALA   12 - HB3   LYS+  99  25.93 +/- 6.61   1.100% *  0.1210% (0.38   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HB3   LYS+  99  21.87 +/- 6.02   2.169% *  0.0497% (0.15   1.0   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3375 (0.62, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 2.04, residual support = 18.7:
        T QD1   LEU  104 - HB3   LYS+  99   3.15 +/- 0.99  93.931% * 97.7087% (0.41 10.00   2.04  18.67) =  99.966%  kept
        T QG2   ILE   89 - HB3   LYS+  99  15.57 +/- 1.48   1.323% *  1.9852% (0.84 10.00   0.02   0.02) =   0.029%
          QG1   VAL   83 - HB3   LYS+  99  15.72 +/- 4.03   1.507% *  0.2062% (0.87  1.00   0.02   0.02) =   0.003%
          QD2   LEU  115 - HB3   LYS+  99  16.15 +/- 2.98   1.979% *  0.0470% (0.20  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB3   LYS+  99  17.90 +/- 4.35   1.259% *  0.0529% (0.22  1.00   0.02   0.02) =   0.001%
    Distance limit 3.55 A violated in 1 structures by 0.24 A, kept.
 
    Peak 3376 (1.00, 1.72, 37.34 ppm):
    6 chemical-shift based assignments, quality = 0.758, support = 1.77, residual support = 7.83:
        T QD2   LEU   40 - HB3   LYS+  99   8.14 +/- 6.66  43.871% * 95.2725% (0.76 10.00   1.79   8.09) =  96.463%  kept
          QG2   ILE  103 - HB3   LYS+  99   6.72 +/- 0.81  34.476% *  4.3930% (0.61  1.00   1.04   0.73) =   3.495%  kept
          QD1   LEU   67 - HB3   LYS+  99  13.77 +/- 4.31   7.594% *  0.1009% (0.73  1.00   0.02   0.02) =   0.018%
          HG3   LYS+  74 - HB3   LYS+  99  18.78 +/- 4.16   9.473% *  0.0676% (0.49  1.00   0.02   0.02) =   0.015%
          HB    VAL   75 - HB3   LYS+  99  16.62 +/- 2.20   2.384% *  0.1314% (0.95  1.00   0.02   0.02) =   0.007%
          QD1   ILE  119 - HB3   LYS+  99  16.81 +/- 3.54   2.201% *  0.0346% (0.25  1.00   0.02   0.02) =   0.002%
    Distance limit 3.86 A violated in 8 structures by 1.03 A, kept.
 
    Peak 3377 (1.32, 1.72, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.65, residual support = 175.1:
      O   HG2   LYS+  99 - HB3   LYS+  99   2.72 +/- 0.24  92.168% * 99.4593% (0.97  10.0   5.65 175.13) =  99.994%  kept
          HG2   LYS+  38 - HB3   LYS+  99  14.69 +/- 7.65   1.874% *  0.1028% (1.00   1.0   0.02   0.02) =   0.002%
          HB2   LEU   31 - HB3   LYS+  99  14.22 +/- 4.90   2.425% *  0.0708% (0.69   1.0   0.02   0.02) =   0.002%
          QB    ALA   88 - HB3   LYS+  99  16.15 +/- 2.06   0.537% *  0.0894% (0.87   1.0   0.02   0.02) =   0.001%
          QG2   THR   77 - HB3   LYS+  99  16.59 +/- 2.48   0.770% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  99  16.54 +/- 3.64   0.598% *  0.0424% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  99  20.58 +/- 4.67   0.427% *  0.0542% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  99  23.04 +/- 2.88   0.198% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  99  16.53 +/- 1.82   0.467% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  99  19.95 +/- 7.14   0.536% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3378 (1.77, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 7.0, residual support = 175.1:
      O T HB2   LYS+  99 - HA    LYS+  99   2.59 +/- 0.25  92.716% * 99.7492% (0.99  10.0 10.00   7.00 175.13) =  99.994%  kept
          QD    LYS+  81 - HA    LYS+  99  21.63 +/- 5.18   3.038% *  0.0986% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLN   17 - HA    LYS+  99  17.40 +/- 5.83   2.724% *  0.0570% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   43 - HA    LYS+  99  11.65 +/- 2.52   1.522% *  0.0952% (0.95   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3379 (1.72, 1.24, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.705, support = 5.24, residual support = 182.0:
      O   HB3   LYS+  99 - HG3   LYS+  99   2.68 +/- 0.30  28.345% * 58.3907% (0.99  10.0  1.00   5.25 175.13) =  55.977%  kept
      O T QD    LYS+  99 - HG3   LYS+  99   2.34 +/- 0.18  39.729% * 20.0954% (0.34  10.0 10.00   5.26 175.13) =  27.002%  kept
      O T HB    ILE   89 - HG12  ILE   89   2.75 +/- 0.19  25.200% * 19.9563% (0.34  10.0 10.00   5.18 215.66) =  17.009%  kept
        T QD    LYS+ 106 - HG12  ILE   89   8.34 +/- 2.34   1.733% *  0.0737% (0.13   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+ 106 - HG3   LYS+  99  11.83 +/- 1.53   0.474% *  0.1818% (0.31   1.0 10.00   0.02   0.02) =   0.003%
        T QG1   ILE   56 - HG3   LYS+  99  19.49 +/- 2.86   0.084% *  0.5573% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  99 - HG3   LYS+  38  12.87 +/- 8.41   1.963% *  0.0210% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T HB    ILE   89 - HG3   LYS+  99  19.63 +/- 2.27   0.079% *  0.4921% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HG12  ILE   89  13.70 +/- 3.22   0.509% *  0.0226% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG12  ILE   89  16.77 +/- 1.73   0.121% *  0.0815% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+  38  14.66 +/- 8.64   0.890% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  38  22.56 +/- 3.39   0.058% *  0.0582% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  16.96 +/- 1.95   0.119% *  0.0237% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  99  16.85 +/- 3.51   0.169% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  38  19.35 +/- 3.76   0.091% *  0.0190% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG12  ILE   89  14.64 +/- 1.76   0.186% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HG3   LYS+  38  23.83 +/- 4.55   0.115% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  38  16.84 +/- 2.43   0.138% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3380 (1.77, 1.24, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 6.4, residual support = 175.0:
      O T HB2   LYS+  99 - HG3   LYS+  99   2.67 +/- 0.29  82.880% * 97.9462% (0.99  10.0 10.00   6.41 175.13) =  99.951%  kept
        T HB    VAL   43 - HG12  ILE   89   8.04 +/- 2.08   7.007% *  0.3791% (0.38   1.0 10.00   0.02   0.02) =   0.033%
        T HB    VAL   43 - HG3   LYS+  99  14.13 +/- 2.75   0.719% *  0.9348% (0.95   1.0 10.00   0.02   0.02) =   0.008%
        T HB2   LYS+  99 - HG3   LYS+  38  14.67 +/- 8.54   2.572% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LYS+  99 - HG12  ILE   89  16.56 +/- 1.73   0.378% *  0.3972% (0.40   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLN   17 - HG3   LYS+  99  18.60 +/- 6.53   1.732% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - HG12  ILE   89  10.79 +/- 1.68   1.722% *  0.0393% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - HG3   LYS+  99  23.95 +/- 5.06   0.485% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG12  ILE   89  21.83 +/- 4.73   0.639% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  38  25.92 +/- 6.65   0.812% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  38  17.27 +/- 4.62   0.711% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG3   LYS+  38  17.90 +/- 1.48   0.343% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3381 (4.01, 2.50, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.19, residual support = 111.5:
    * O   HA    GLN  116 - HG3   GLN  116   3.31 +/- 0.60  93.774% * 99.5202% (1.00  10.0   5.19 111.53) =  99.996%  kept
          HA    VAL   70 - HG3   GLN  116  19.20 +/- 3.56   1.447% *  0.0995% (1.00   1.0   0.02   0.02) =   0.002%
          HA    VAL   18 - HG3   GLN  116  21.50 +/- 4.95   2.069% *  0.0684% (0.69   1.0   0.02   0.02) =   0.002%
          HA    SER   48 - HG3   GLN  116  19.78 +/- 3.92   1.251% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG3   GLN  116  29.13 +/- 4.21   0.257% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG3   GLN  116  29.37 +/- 3.77   0.214% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLN  116  28.02 +/- 4.15   0.272% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   GLN  116  26.40 +/- 3.91   0.286% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLN  116  25.13 +/- 5.50   0.431% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3382 (2.37, 2.50, 34.75 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.66, residual support = 111.5:
      O   HB2   GLN  116 - HG3   GLN  116   2.51 +/- 0.31  96.134% * 99.6757% (0.98  10.0   5.66 111.53) =  99.998%  kept
          HB2   PRO   58 - HG3   GLN  116  10.71 +/- 2.34   2.791% *  0.0456% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   PHE   97 - HG3   GLN  116  16.52 +/- 3.71   0.583% *  0.0912% (0.90   1.0   0.02   0.02) =   0.001%
          QG    GLU-  79 - HG3   GLN  116  21.56 +/- 4.21   0.259% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   GLN  116  26.60 +/- 3.78   0.116% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HG3   GLN  116  27.15 +/- 3.75   0.118% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3383 (0.60, 2.50, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.962, support = 6.48, residual support = 97.8:
          QD2   LEU  115 - HG3   GLN  116   4.61 +/- 1.02  61.566% * 96.1586% (0.97   6.53  98.73) =  99.085%  kept
          QD1   LEU   63 - HG3   GLN  116   9.76 +/- 3.13  18.778% *  2.8019% (0.69   0.27   0.02) =   0.881%  kept
          QD2   LEU   63 - HG3   GLN  116  10.45 +/- 2.99  14.164% *  0.0471% (0.15   0.02   0.02) =   0.011%
          QD1   LEU  104 - HG3   GLN  116  16.28 +/- 3.78   1.885% *  0.2990% (0.98   0.02   0.02) =   0.009%
          QD1   LEU   73 - HG3   GLN  116  17.49 +/- 4.18   2.235% *  0.2095% (0.69   0.02   0.02) =   0.008%
          QD2   LEU   80 - HG3   GLN  116  21.11 +/- 4.37   0.721% *  0.2990% (0.98   0.02   0.02) =   0.004%
          QG1   VAL   83 - HG3   GLN  116  21.03 +/- 3.33   0.650% *  0.1850% (0.61   0.02   0.02) =   0.002%
    Distance limit 3.90 A violated in 1 structures by 0.48 A, kept.
 
    Peak 3384 (2.55, 2.50, 34.75 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.41, residual support = 111.5:
      O   HG2   GLN  116 - HG3   GLN  116   1.75 +/- 0.00  99.329% * 99.7025% (0.98  10.0  1.00   5.41 111.53) =  99.999%  kept
          HB3   PHE   95 - HG3   GLN  116  12.16 +/- 3.36   0.639% *  0.0962% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   GLU-  25 - HG3   GLN  116  29.93 +/- 5.38   0.032% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3385 (2.50, 2.50, 34.75 ppm):
    1 diagonal assignment:
    *     HG3   GLN  116 - HG3   GLN  116  (1.00)  kept
 
    Peak 3386 (7.40, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.686, support = 4.16, residual support = 111.4:
      O   HE21  GLN  116 - HG3   GLN  116   3.50 +/- 0.49  76.040% * 99.1344% (0.69  10.0   4.17 111.53) =  99.855%  kept
          HN    ALA  120 - HG3   GLN  116   6.37 +/- 1.06  17.151% *  0.5938% (0.31   1.0   0.27   0.17) =   0.135%  kept
          HN    ALA   57 - HG3   GLN  116   9.68 +/- 2.08   5.763% *  0.1103% (0.76   1.0   0.02   0.02) =   0.008%
          HE21  GLN   90 - HG3   GLN  116  23.24 +/- 4.07   0.873% *  0.1393% (0.97   1.0   0.02   0.02) =   0.002%
          HD21  ASN   35 - HG3   GLN  116  29.56 +/- 3.62   0.173% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3387 (8.19, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.695, support = 6.97, residual support = 105.9:
          HN    GLN  116 - HG3   GLN  116   3.66 +/- 0.54  64.063% * 82.1613% (0.69   7.29 111.53) =  94.925%  kept
          HN    THR  118 - HG3   GLN  116   6.38 +/- 0.86  16.681% * 15.1413% (0.92   1.00   0.13) =   4.555%  kept
          HN    GLU- 114 - HG3   GLN  116   6.84 +/- 1.26  11.995% *  2.2097% (0.25   0.54   1.53) =   0.478%  kept
          HN    PHE   60 - HG3   GLN  116   9.99 +/- 1.95   6.849% *  0.3280% (1.00   0.02   0.02) =   0.041%
          HN    GLU-  15 - HG3   GLN  116  28.18 +/- 5.16   0.412% *  0.1597% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3388 (1.33, 1.24, 26.01 ppm):
    39 chemical-shift based assignments, quality = 0.912, support = 6.52, residual support = 178.3:
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  40.125% * 82.9869% (1.00  10.0 10.00   6.53 175.13) =  90.368%  kept
      O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  40.125% *  8.3758% (0.10  10.0 10.00   6.54 219.76) =   9.121%  kept
          QB    ALA   88 - HG12  ILE   89   4.50 +/- 0.54   2.898% *  5.7663% (0.28   1.0  1.00   4.98   8.80) =   0.454%  kept
          HB3   ASP-  44 - HG12  ILE   89   9.64 +/- 2.32   5.588% *  0.2901% (0.20   1.0  1.00   0.35   0.02) =   0.044%
        T HG2   LYS+  38 - HG3   LYS+  99  13.69 +/- 8.53   0.329% *  0.8027% (0.97   1.0 10.00   0.02   0.02) =   0.007%
        T HG2   LYS+  99 - HG3   LYS+  38  13.70 +/- 9.80   0.850% *  0.0866% (0.10   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - HG3   LYS+  99  14.28 +/- 5.52   0.375% *  0.0721% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - HG12  ILE   89  15.87 +/- 3.06   0.078% *  0.3114% (0.37   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   77 - HG12  ILE   89   7.80 +/- 3.05   1.930% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HG3   LYS+  99   7.61 +/- 1.40   0.693% *  0.0207% (0.25   1.0  1.00   0.02  18.55) =   0.000%
          QB    ALA   84 - HG12  ILE   89   5.06 +/- 1.14   2.377% *  0.0059% (0.07   1.0  1.00   0.02  13.12) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  24.36 +/- 2.96   0.017% *  0.7678% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG12  ILE   89  10.47 +/- 1.72   0.224% *  0.0245% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  24.01 +/- 7.01   0.789% *  0.0063% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  11.53 +/- 2.92   0.612% *  0.0075% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  17.01 +/- 3.69   0.065% *  0.0504% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  17.34 +/- 3.00   0.107% *  0.0257% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  17.54 +/- 2.03   0.045% *  0.0571% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  21.62 +/- 4.93   0.042% *  0.0604% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  20.04 +/- 7.14   0.067% *  0.0284% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG12  ILE   89   9.86 +/- 1.57   0.364% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.52 +/- 2.22   0.046% *  0.0405% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG12  ILE   89  17.54 +/- 3.20   0.055% *  0.0293% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG12  ILE   89  15.76 +/- 2.13   0.075% *  0.0205% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG12  ILE   89  12.21 +/- 2.32   0.176% *  0.0084% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  19.50 +/- 4.55   0.518% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG12  ILE   89  18.67 +/- 1.79   0.036% *  0.0337% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  38  21.06 +/- 5.14   0.673% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG12  ILE   89  23.42 +/- 3.81   0.028% *  0.0326% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  99  18.30 +/- 3.28   0.062% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  22.35 +/- 6.88   0.261% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  16.13 +/- 7.21   0.187% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  21.72 +/- 4.12   0.045% *  0.0060% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  99  22.02 +/- 0.83   0.020% *  0.0128% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  18.70 +/- 2.55   0.043% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG12  ILE   89  23.62 +/- 2.92   0.018% *  0.0115% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  20.16 +/- 1.73   0.029% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  30.03 +/- 3.11   0.009% *  0.0080% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  38  25.77 +/- 2.57   0.015% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   2699
      with diagonal assignment               :    465
      without assignment possibility         :      4
      with one assignment possibility        :    112
      with multiple assignment possibilities :   2118
      with given assignment possibilities    :      0
      with unique volume contribution        :   1257
      with multiple volume contributions     :    973
      eliminated by violation filter         :     92
 
    Peaks:
      selected                               :   2699
      without assignment                     :    115
      with assignment                        :   2584
      with unique assignment                 :   1556
      with multiple assignment               :   1028
      with reference assignment              :   1605
      with identical reference assignment    :   1028
      with compatible reference assignment   :    569
      with incompatible reference assignment :      8
      with additional reference assignment   :      0
      with additional assignment             :    979
 
    Atoms with eliminated volume contribution > 2.5:
    HA    HIS   22       3.9
    QD1   LEU   40       2.7
    QD2   LEU   40       3.9
    QD    PHE   45       3.9
    QG2   ILE   56       3.0
    QD    PHE   60       3.3
    HN    LYS+  65       5.1
    HZ    PHE   72       3.5
    HA    THR  118       3.0
    QD1   ILE  119       3.1
 
    Peak 2 (6.75, 6.75, 114.38 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   27 - HZ2   TRP   27  (1.00)  kept
 
    Peak 3 (7.49, 7.49, 115.54 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   49 - HZ2   TRP   49  (1.00)  kept
 
    Peak 4 (7.61, 7.61, 114.70 ppm):
    2 diagonal assignments:
    *     HZ2   TRP   87 - HZ2   TRP   87  (1.00)  kept
          HN    ILE   56 - HN    ILE   56  (0.01)  kept
 
    Peak 5 (7.18, 7.18, 125.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   49 - HH2   TRP   49  (1.00)  kept
 
    Peak 6 (7.23, 7.23, 124.80 ppm):
    1 diagonal assignment:
    *     HH2   TRP   87 - HH2   TRP   87  (1.00)  kept
 
    Peak 7 (7.71, 7.71, 120.66 ppm):
    1 diagonal assignment:
    *     HE3   TRP   87 - HE3   TRP   87  (1.00)  kept
 
    Peak 8 (6.38, 6.38, 129.17 ppm):
    1 diagonal assignment:
    *     HZ    PHE   45 - HZ    PHE   45  (1.00)  kept
 
    Peak 9 (6.69, 6.69, 132.41 ppm):
    1 diagonal assignment:
    *     QD    PHE   72 - QD    PHE   72  (1.00)  kept
 
    Peak 10 (6.68, 6.68, 130.18 ppm):
    1 diagonal assignment:
    *     QE    PHE   45 - QE    PHE   45  (1.00)  kept
 
    Peak 11 (6.71, 6.71, 127.90 ppm):
    1 diagonal assignment:
    *     HZ    PHE   72 - HZ    PHE   72  (1.00)  kept
 
    Peak 12 (6.88, 6.88, 128.47 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 13 (7.26, 7.26, 128.86 ppm):
    1 diagonal assignment:
    *     QE    PHE   59 - QE    PHE   59  (1.00)  kept
 
    Peak 14 (7.75, 7.75, 128.42 ppm):
    1 diagonal assignment:
    *     HD1   TRP   87 - HD1   TRP   87  (1.00)  kept
 
    Peak 15 (7.19, 7.19, 127.61 ppm):
    1 diagonal assignment:
    *     HD1   TRP   27 - HD1   TRP   27  (1.00)  kept
 
    Peak 16 (7.35, 7.35, 128.88 ppm):
    1 diagonal assignment:
    *     HD1   TRP   49 - HD1   TRP   49  (1.00)  kept
 
    Peak 17 (7.63, 7.63, 131.92 ppm):
    1 diagonal assignment:
    *     QE    PHE   60 - QE    PHE   60  (1.00)  kept
 
    Peak 18 (7.02, 7.02, 132.19 ppm):
    1 diagonal assignment:
    *     QD    PHE   95 - QD    PHE   95  (1.00)  kept
 
    Peak 19 (6.86, 6.86, 131.77 ppm):
    1 diagonal assignment:
    *     QD    PHE   45 - QD    PHE   45  (1.00)  kept
 
    Peak 20 (6.85, 6.85, 130.68 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 21 (6.99, 6.99, 130.46 ppm):
    1 diagonal assignment:
    *     QE    PHE   72 - QE    PHE   72  (1.00)  kept
 
    Peak 22 (8.33, 8.33, 138.33 ppm):
    1 diagonal assignment:
    *     HE1   HIS  122 - HE1   HIS  122  (1.00)  kept
 
    Peak 23 (8.58, 8.58, 136.90 ppm):
    1 diagonal assignment:
    *     HE1   HIS   22 - HE1   HIS   22  (1.00)  kept
 
    Peak 24 (6.83, 6.83, 120.22 ppm):
    1 diagonal assignment:
    *     HD2   HIS  122 - HD2   HIS  122  (1.00)  kept
 
    Peak 25 (7.11, 7.11, 121.95 ppm):
    1 diagonal assignment:
    *     HE3   TRP   49 - HE3   TRP   49  (1.00)  kept
 
    Peak 26 (7.36, 7.36, 120.68 ppm):
    1 diagonal assignment:
    *     HD2   HIS   22 - HD2   HIS   22  (1.00)  kept
 
    Peak 27 (7.12, 7.12, 119.95 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 28 (7.17, 7.17, 120.01 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 29 (7.31, 7.32, 120.14 ppm):
    1 diagonal assignment:
    *     HE3   TRP   27 - HE3   TRP   27  (0.76)  kept
 
    Peak 30 (7.13, 7.13, 131.79 ppm):
    1 diagonal assignment:
    *     QD    PHE   97 - QD    PHE   97  (1.00)  kept
 
    Peak 31 (7.32, 7.32, 132.31 ppm):
    1 diagonal assignment:
    *     QD    PHE   55 - QD    PHE   55  (1.00)  kept
 
    Peak 32 (7.29, 7.29, 132.36 ppm):
    1 diagonal assignment:
    *     QD    PHE   60 - QD    PHE   60  (1.00)  kept
 
    Peak 33 (7.33, 7.33, 130.29 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 34 (7.39, 7.39, 131.00 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 35 (7.38, 7.41, 131.81 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 36 (6.31, 6.31, 122.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   27 - HH2   TRP   27  (1.00)  kept
 
    Peak 37 (3.92, 7.29, 132.36 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.95, residual support = 72.4:
        T HA    PHE   60 - QD    PHE   60   2.69 +/- 0.63  86.670% * 98.3426% (0.87 10.00   3.95  72.41) =  99.956%  kept
        T QB    SER  117 - QD    PHE   60  11.18 +/- 2.53   2.669% *  1.0168% (0.90 10.00   0.02   0.02) =   0.032%
        T QB    SER   48 - QD    PHE   60  12.77 +/- 2.35   1.252% *  0.4255% (0.38 10.00   0.02   0.02) =   0.006%
          HB    THR   94 - QD    PHE   60   9.92 +/- 2.59   3.992% *  0.0552% (0.49  1.00   0.02   0.02) =   0.003%
          HA2   GLY   51 - QD    PHE   60  12.31 +/- 2.41   1.878% *  0.0733% (0.65  1.00   0.02   0.02) =   0.002%
          HA    LYS+ 121 - QD    PHE   60  13.41 +/- 2.61   1.580% *  0.0642% (0.57  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QD    PHE   60  12.55 +/- 2.58   1.959% *  0.0224% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 38 (7.19, 7.19, 131.79 ppm):
    1 diagonal assignment:
    *     QD    PHE   59 - QD    PHE   59  (1.00)  kept
 
    Peak 40 (6.35, 6.35, 121.95 ppm):
    1 diagonal assignment:
    *     HZ3   TRP   27 - HZ3   TRP   27  (1.00)  kept
 
    Peak 43 (7.13, 7.13, 121.44 ppm):
    1 diagonal assignment:
    *     HZ3   TRP   87 - HZ3   TRP   87  (1.00)  kept
 
    Peak 44 (7.70, 7.13, 121.44 ppm):
    6 chemical-shift based assignments, quality = 0.686, support = 1.02, residual support = 70.6:
      O   HE3   TRP   87 - HZ3   TRP   87   2.49 +/- 0.00  93.984% * 80.9290% (0.69  10.0   1.00  70.63) =  99.011%  kept
          HN    TRP   87 - HZ3   TRP   87   7.12 +/- 0.20   4.071% * 18.5964% (0.61   1.0   2.60  70.63) =   0.986%  kept
          HN    GLN   17 - HZ3   TRP   87  19.87 +/- 4.56   0.741% *  0.1801% (0.76   1.0   0.02   0.02) =   0.002%
          HN    ALA   91 - HZ3   TRP   87  13.46 +/- 1.30   0.693% *  0.0727% (0.31   1.0   0.02   0.02) =   0.001%
          HD21  ASN   69 - HZ3   TRP   87  21.36 +/- 4.91   0.261% *  0.1334% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HZ3   TRP   87  19.11 +/- 2.50   0.250% *  0.0884% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 45 (7.33, 7.33, 131.79 ppm):
    1 diagonal assignment:
    *     QE    PHE   95 - QE    PHE   95  (1.00)  kept
 
    Peak 46 (4.73, 8.58, 136.90 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 0.02, residual support = 0.02:
          HA    PRO   68 - HE1   HIS   22  18.20 +/- 5.20 100.000% *100.0000% (0.98   0.02   0.02) = 100.000%  kept
    Distance limit 5.24 A violated in 19 structures by 13.00 A, eliminated.
    Peak unassigned.
 
    Peak 47 (1.15, 8.58, 136.90 ppm):
    6 chemical-shift based assignments, quality = 0.766, support = 1.11, residual support = 5.41:
          QB    ALA   20 - HE1   HIS   22   3.79 +/- 0.76  61.744% * 93.4830% (0.76   1.13   5.48) =  98.714%  kept
          HG2   LYS+ 121 - HE1   HIS   22  22.61 +/- 8.47  19.887% *  2.1695% (1.00   0.02   0.02) =   0.738%  kept
          QG2   VAL  107 - HE1   HIS   22  17.86 +/- 5.19  14.195% *  2.0568% (0.95   0.02   0.02) =   0.499%  kept
          HG13  ILE  119 - HE1   HIS   22  19.52 +/- 5.83   3.014% *  0.6045% (0.28   0.02   0.02) =   0.031%
          HG13  ILE  103 - HE1   HIS   22  21.70 +/- 5.28   0.625% *  1.1440% (0.53   0.02   0.02) =   0.012%
          HB3   LEU   31 - HE1   HIS   22  18.13 +/- 1.26   0.535% *  0.5422% (0.25   0.02   0.02) =   0.005%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 48 (8.78, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.456, support = 4.29, residual support = 34.3:
          HN    ASN   28 - HD1   TRP   27   2.89 +/- 0.53  79.803% * 35.4510% (0.25   5.06  47.30) =  72.077%  kept
          HN    GLU-  25 - HD1   TRP   27   4.95 +/- 0.70  17.124% * 63.9120% (0.99   2.30   0.63) =  27.883%  kept
          HN    ASP-  44 - HD1   TRP   27  11.60 +/- 2.45   2.835% *  0.5504% (0.98   0.02   0.02) =   0.040%
          HN    ALA  110 - HD1   TRP   27  22.33 +/- 2.35   0.237% *  0.0866% (0.15   0.02   0.02) =   0.001%
    Distance limit 5.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 49 (10.20, 7.19, 127.61 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 1.97, residual support = 100.6:
      O   HE1   TRP   27 - HD1   TRP   27   2.64 +/- 0.00 100.000% *100.0000% (0.92  10.0   1.97 100.64) = 100.000%  kept
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 50 (6.35, 7.32, 120.14 ppm):
    2 chemical-shift based assignments, quality = 0.889, support = 1.54, residual support = 100.6:
      O   HZ3   TRP   27 - HE3   TRP   27   2.49 +/- 0.00  97.552% * 99.9799% (0.89  10.0   1.54 100.64) =  99.999%  kept
          HZ3   TRP   27 - HN    LEU   67  13.04 +/- 2.87   2.448% *  0.0201% (0.14   1.0   0.02   0.02) =   0.001%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 51 (4.49, 7.32, 120.14 ppm):
    10 chemical-shift based assignments, quality = 0.956, support = 3.84, residual support = 100.6:
          HA    TRP   27 - HE3   TRP   27   3.23 +/- 0.49  93.252% * 98.4209% (0.96   3.84 100.64) =  99.989%  kept
          HA    VAL  107 - HE3   TRP   27  18.05 +/- 2.05   0.764% *  0.4901% (0.91   0.02   0.02) =   0.004%
          HA    ALA   91 - HE3   TRP   27  19.18 +/- 2.18   0.511% *  0.5262% (0.98   0.02   0.02) =   0.003%
          HA    TRP   27 - HN    LEU   67  15.50 +/- 2.39   1.829% *  0.0797% (0.15   0.02   0.02) =   0.002%
          HA    PRO   52 - HE3   TRP   27  22.67 +/- 3.00   0.334% *  0.1993% (0.37   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    LEU   67  17.95 +/- 2.69   0.673% *  0.0763% (0.14   0.02   0.02) =   0.001%
          HA    ALA  110 - HE3   TRP   27  21.44 +/- 2.98   0.440% *  0.0819% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    LEU   67  18.84 +/- 3.35   1.045% *  0.0310% (0.06   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   67  21.59 +/- 2.14   0.371% *  0.0819% (0.15   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   67  19.70 +/- 3.91   0.781% *  0.0127% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 52 (3.02, 7.32, 120.14 ppm):
    10 chemical-shift based assignments, quality = 0.174, support = 4.49, residual support = 100.6:
      O   HB3   TRP   27 - HE3   TRP   27   2.60 +/- 0.21  90.248% * 98.0783% (0.17  10.0   4.50 100.64) =  99.973%  kept
          QE    LYS+  38 - HE3   TRP   27  13.02 +/- 3.13   2.057% *  0.5551% (0.98   1.0   0.02   0.02) =   0.013%
          QE    LYS+  99 - HE3   TRP   27  13.56 +/- 3.25   1.237% *  0.4678% (0.83   1.0   0.02   0.02) =   0.007%
          QE    LYS+ 102 - HE3   TRP   27  16.83 +/- 3.67   0.521% *  0.5405% (0.96   1.0   0.02   0.02) =   0.003%
          HB2   PHE   97 - HE3   TRP   27  13.61 +/- 3.02   1.937% *  0.0864% (0.15   1.0   0.02   0.02) =   0.002%
          QE    LYS+  38 - HN    LEU   67  15.98 +/- 3.32   1.112% *  0.0864% (0.15   1.0   0.02   0.02) =   0.001%
          QE    LYS+  99 - HN    LEU   67  15.48 +/- 5.29   0.870% *  0.0728% (0.13   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HN    LEU   67  21.65 +/- 3.31   0.244% *  0.0841% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU   67  14.92 +/- 2.61   0.932% *  0.0153% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    LEU   67  15.64 +/- 3.82   0.843% *  0.0134% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 4.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 53 (0.76, 7.32, 120.14 ppm):
    16 chemical-shift based assignments, quality = 0.572, support = 2.31, residual support = 14.8:
          QD2   LEU   73 - HE3   TRP   27   3.31 +/- 2.03  32.456% * 18.5323% (0.28   3.18  23.90) =  45.547%  kept
          QG1   VAL   43 - HE3   TRP   27   6.89 +/- 2.44   6.367% * 44.5573% (0.99   2.13   3.40) =  21.482%  kept
          QG1   VAL   41 - HE3   TRP   27   6.57 +/- 2.34  10.228% * 24.0962% (0.94   1.22   0.38) =  18.663%  kept
          HG    LEU   31 - HE3   TRP   27   4.41 +/- 0.90  16.366% * 11.1453% (0.41   1.30  22.42) =  13.813%  kept
          QG2   VAL   18 - HE3   TRP   27   8.74 +/- 2.01   5.325% *  0.3864% (0.91   0.02   0.02) =   0.156%  kept
          QG2   VAL   18 - HN    LEU   67   7.55 +/- 3.13   5.795% *  0.3064% (0.14   0.10   0.02) =   0.134%  kept
          QD1   ILE   19 - HE3   TRP   27   7.05 +/- 1.57   8.064% *  0.2038% (0.48   0.02   0.02) =   0.124%  kept
          QD2   LEU  104 - HE3   TRP   27  12.33 +/- 3.20   2.377% *  0.1428% (0.34   0.02   0.02) =   0.026%
          QG2   THR   46 - HE3   TRP   27  11.38 +/- 2.41   0.789% *  0.3496% (0.83   0.02   0.02) =   0.021%
          HG    LEU   31 - HN    LEU   67  16.02 +/- 3.76   5.206% *  0.0268% (0.06   0.02   0.02) =   0.011%
          QG1   VAL   43 - HN    LEU   67  11.61 +/- 2.06   1.502% *  0.0651% (0.15   0.02   0.02) =   0.007%
          QG2   THR   46 - HN    LEU   67  11.75 +/- 2.45   1.544% *  0.0544% (0.13   0.02   0.02) =   0.006%
          QG1   VAL   41 - HN    LEU   67  10.97 +/- 1.52   0.945% *  0.0616% (0.15   0.02   0.02) =   0.004%
          QD2   LEU   73 - HN    LEU   67   9.64 +/- 1.37   1.937% *  0.0181% (0.04   0.02   0.02) =   0.003%
          QD1   ILE   19 - HN    LEU   67  11.31 +/- 1.36   0.676% *  0.0317% (0.08   0.02   0.02) =   0.002%
          QD2   LEU  104 - HN    LEU   67  14.99 +/- 3.47   0.421% *  0.0222% (0.05   0.02   0.02) =   0.001%
    Distance limit 5.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 54 (0.60, 7.32, 120.14 ppm):
    14 chemical-shift based assignments, quality = 0.452, support = 5.39, residual support = 19.1:
          QD1   LEU   73 - HE3   TRP   27   2.91 +/- 2.10  50.026% * 49.4704% (0.37   6.45  23.90) =  75.149%  kept
          QD2   LEU   80 - HE3   TRP   27  10.29 +/- 6.14  17.413% * 38.1300% (0.76   2.44   5.84) =  20.161%  kept
          QD1   LEU   63 - HE3   TRP   27  10.73 +/- 3.07  17.321% *  7.9466% (0.37   1.04   0.02) =   4.180%  kept
          QG1   VAL   83 - HE3   TRP   27  10.05 +/- 4.85   4.703% *  3.3793% (0.89   0.18   0.37) =   0.483%  kept
          QD1   LEU  104 - HE3   TRP   27  11.96 +/- 3.15   1.206% *  0.3863% (0.94   0.02   0.02) =   0.014%
          QD1   LEU   63 - HN    LEU   67   5.81 +/- 0.93   5.092% *  0.0239% (0.06   0.02   0.02) =   0.004%
          QD2   LEU  115 - HE3   TRP   27  15.45 +/- 2.83   0.384% *  0.2966% (0.72   0.02   0.02) =   0.003%
          QD1   LEU  104 - HN    LEU   67  13.71 +/- 4.09   1.714% *  0.0601% (0.15   0.02   0.02) =   0.003%
          QG2   ILE   89 - HE3   TRP   27  11.54 +/- 2.07   0.537% *  0.1136% (0.28   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    LEU   67  11.62 +/- 1.48   0.506% *  0.0461% (0.11   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    LEU   67  11.62 +/- 1.23   0.584% *  0.0239% (0.06   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   67  16.22 +/- 2.16   0.190% *  0.0486% (0.12   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU   67  17.25 +/- 1.99   0.139% *  0.0570% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU   67  15.23 +/- 1.47   0.186% *  0.0177% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 55 (0.12, 7.32, 120.14 ppm):
    4 chemical-shift based assignments, quality = 0.673, support = 0.657, residual support = 0.913:
          QG2   VAL   75 - HE3   TRP   27   6.14 +/- 2.75  41.587% * 55.7060% (0.72   0.66   1.16) =  71.227%  kept
          QG2   VAL   42 - HE3   TRP   27   8.06 +/- 1.81  21.157% * 43.8245% (0.56   0.66   0.31) =  28.507%  kept
          QG2   VAL   75 - HN    LEU   67   9.68 +/- 1.88  16.736% *  0.2638% (0.11   0.02   0.02) =   0.136%  kept
          QG2   VAL   42 - HN    LEU   67   8.43 +/- 1.95  20.520% *  0.2057% (0.09   0.02   0.02) =   0.130%  kept
    Distance limit 4.48 A violated in 7 structures by 0.74 A, kept.
 
    Peak 56 (3.48, 7.36, 120.68 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.69, residual support = 35.1:
      O T HB2   HIS   22 - HD2   HIS   22   3.88 +/- 0.23  96.351% * 99.9216% (0.92  10.0 10.00   2.69  35.14) =  99.998%  kept
          HA    LEU   63 - HD2   HIS   22  16.76 +/- 3.47   2.975% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+ 112 - HD2   HIS   22  24.42 +/- 4.87   0.674% *  0.0214% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 57 (3.25, 7.36, 120.68 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 3.27, residual support = 35.1:
      O T HB3   HIS   22 - HD2   HIS   22   3.08 +/- 0.35  99.423% * 99.8217% (0.45  10.0 10.00   3.27  35.14) =  99.999%  kept
          HD3   ARG+  54 - HD2   HIS   22  23.91 +/- 6.06   0.577% *  0.1783% (0.80   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 58 (2.79, 7.36, 120.68 ppm):
    5 chemical-shift based assignments, quality = 0.8, support = 0.02, residual support = 0.02:
          QE    LYS+  74 - HD2   HIS   22   9.25 +/- 2.27  42.264% * 29.7119% (0.92   0.02   0.02) =  58.187%  kept
          HB3   ASP-  78 - HD2   HIS   22  14.67 +/- 2.75  17.047% * 19.5221% (0.61   0.02   0.02) =  15.421%  kept
          QB    CYS   50 - HD2   HIS   22  17.77 +/- 4.50   9.566% * 28.8658% (0.90   0.02   0.02) =  12.796%  kept
          HB3   ASN   69 - HD2   HIS   22  19.69 +/- 4.28  11.603% * 16.9340% (0.53   0.02   0.02) =   9.104%  kept
          HB2   PHE   72 - HD2   HIS   22  12.74 +/- 1.73  19.520% *  4.9662% (0.15   0.02   0.02) =   4.492%  kept
    Distance limit 5.28 A violated in 16 structures by 3.18 A, eliminated.
    Peak unassigned.
 
    Peak 59 (1.16, 7.36, 120.68 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 2.18, residual support = 5.48:
        T QB    ALA   20 - HD2   HIS   22   3.76 +/- 0.40  89.522% * 98.9678% (0.28 10.00   2.18   5.48) =  99.972%  kept
          QG2   VAL  107 - HD2   HIS   22  18.37 +/- 4.17   3.333% *  0.3088% (0.87  1.00   0.02   0.02) =   0.012%
          HG2   LYS+ 121 - HD2   HIS   22  23.47 +/- 7.29   3.545% *  0.2303% (0.65  1.00   0.02   0.02) =   0.009%
          HG13  ILE  103 - HD2   HIS   22  20.73 +/- 4.87   1.304% *  0.3435% (0.97  1.00   0.02   0.02) =   0.005%
          QG2   THR   94 - HD2   HIS   22  16.33 +/- 2.64   1.868% *  0.0704% (0.20  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HD2   HIS   22  25.96 +/- 5.23   0.429% *  0.0792% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 60 (4.74, 7.36, 120.68 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HA    PRO   68 - HD2   HIS   22  18.44 +/- 4.36 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 5.22 A violated in 20 structures by 13.21 A, eliminated.
    Peak unassigned.
 
    Peak 61 (4.58, 7.36, 120.68 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 3.24, residual support = 8.06:
          HA    CYS   21 - HD2   HIS   22   3.71 +/- 0.21  94.588% * 97.4388% (0.95   3.24   8.06) =  99.975%  kept
          HA    LYS+ 102 - HD2   HIS   22  22.76 +/- 5.21   1.810% *  0.4107% (0.65   0.02   0.02) =   0.008%
          HA    CYS   50 - HD2   HIS   22  21.12 +/- 4.84   0.950% *  0.6006% (0.95   0.02   0.02) =   0.006%
          HA    TRP   49 - HD2   HIS   22  22.16 +/- 5.41   0.847% *  0.6349% (1.00   0.02   0.02) =   0.006%
          HA1   GLY  109 - HD2   HIS   22  26.49 +/- 3.36   0.323% *  0.6127% (0.97   0.02   0.02) =   0.002%
          HA    ALA   47 - HD2   HIS   22  19.47 +/- 3.81   0.965% *  0.1765% (0.28   0.02   0.02) =   0.002%
          HA    VAL  108 - HD2   HIS   22  23.64 +/- 3.55   0.517% *  0.1257% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 62 (4.13, 7.19, 127.61 ppm):
    10 chemical-shift based assignments, quality = 0.963, support = 3.2, residual support = 46.1:
          HA    ASN   28 - HD1   TRP   27   3.88 +/- 0.42  71.269% * 79.0710% (1.00   3.22  47.30) =  95.237%  kept
          HA    THR   26 - HD1   TRP   27   6.61 +/- 0.55  15.000% * 18.5346% (0.28   2.71  22.65) =   4.698%  kept
          HA1   GLY  101 - HD1   TRP   27  16.48 +/- 4.86   2.958% *  0.3756% (0.76   0.02   0.02) =   0.019%
          HA    ALA   34 - HD1   TRP   27  12.52 +/- 1.11   2.295% *  0.4537% (0.92   0.02   0.02) =   0.018%
          HA    ARG+  54 - HD1   TRP   27  22.05 +/- 4.81   2.050% *  0.3376% (0.69   0.02   0.02) =   0.012%
          HA    LYS+  81 - HD1   TRP   27  14.73 +/- 5.46   4.102% *  0.0973% (0.20   0.02   0.02) =   0.007%
          HA    LEU  115 - HD1   TRP   27  21.36 +/- 3.08   0.590% *  0.4872% (0.99   0.02   0.02) =   0.005%
          HA    GLU- 114 - HD1   TRP   27  24.57 +/- 3.79   0.498% *  0.2981% (0.61   0.02   0.02) =   0.003%
          HA    ALA  124 - HD1   TRP   27  27.91 +/- 5.52   0.394% *  0.2783% (0.57   0.02   0.02) =   0.002%
          HA    GLU-  36 - HD1   TRP   27  17.23 +/- 0.94   0.844% *  0.0665% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 63 (3.77, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.09, residual support = 26.7:
          HA    VAL   24 - HD1   TRP   27   2.34 +/- 0.73  97.581% * 99.5191% (1.00   5.09  26.67) =  99.996%  kept
          HA    LYS+  38 - HD1   TRP   27  15.30 +/- 2.49   1.086% *  0.2694% (0.69   0.02   0.02) =   0.003%
          HA    ALA   61 - HD1   TRP   27  15.02 +/- 3.37   1.010% *  0.0776% (0.20   0.02   0.02) =   0.001%
          HD2   PRO   68 - HD1   TRP   27  19.09 +/- 3.24   0.323% *  0.1338% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 64 (3.58, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.65, residual support = 100.6:
      O T HB2   TRP   27 - HD1   TRP   27   2.72 +/- 0.10  98.277% * 99.7544% (0.65  10.0 10.00   3.65 100.64) =  99.998%  kept
          HA    THR   77 - HD1   TRP   27  13.41 +/- 3.02   1.401% *  0.1459% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HD2   PRO   93 - HD1   TRP   27  19.81 +/- 2.99   0.322% *  0.0998% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 65 (2.98, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.08, residual support = 100.6:
      O T HB3   TRP   27 - HD1   TRP   27   3.80 +/- 0.11  88.519% * 99.6316% (0.73  10.0 10.00   4.08 100.64) =  99.985%  kept
          HB2   PHE   97 - HD1   TRP   27  15.89 +/- 3.80   5.991% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.007%
          HB3   PHE   60 - HD1   TRP   27  16.86 +/- 3.34   3.373% *  0.1267% (0.92   1.0  1.00   0.02   0.02) =   0.005%
          QE    LYS+ 106 - HD1   TRP   27  15.33 +/- 3.65   2.117% *  0.1369% (1.00   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 66 (1.08, 7.19, 127.61 ppm):
    6 chemical-shift based assignments, quality = 0.758, support = 3.51, residual support = 26.7:
        T QG2   VAL   24 - HD1   TRP   27   2.14 +/- 0.46  74.986% * 93.9661% (0.76 10.00   3.52  26.67) =  98.634%  kept
          QG1   VAL   24 - HD1   TRP   27   3.95 +/- 0.67  18.969% *  5.1092% (0.31  1.00   2.69  26.67) =   1.357%  kept
          HG    LEU   63 - HD1   TRP   27  17.03 +/- 4.59   5.553% *  0.0746% (0.61  1.00   0.02   0.02) =   0.006%
        T QG1   VAL  107 - HD1   TRP   27  16.57 +/- 2.03   0.278% *  0.7954% (0.65 10.00   0.02   0.02) =   0.003%
          HD3   LYS+ 112 - HD1   TRP   27  25.13 +/- 4.56   0.111% *  0.0274% (0.22  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD1   TRP   27  24.68 +/- 4.13   0.104% *  0.0274% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 67 (0.60, 7.19, 127.61 ppm):
    7 chemical-shift based assignments, quality = 0.698, support = 2.76, residual support = 11.9:
          QD2   LEU   80 - HD1   TRP   27  10.03 +/- 7.03  25.646% * 42.5191% (0.87   2.62   5.84) =  44.844%  kept
          QD1   LEU   73 - HD1   TRP   27   5.55 +/- 2.28  28.484% * 33.1576% (0.49   3.64  23.90) =  38.840%  kept
          QG1   VAL   83 - HD1   TRP   27   9.24 +/- 6.26  17.309% * 17.6301% (0.80   1.18   0.37) =  12.550%  kept
          QD1   LEU   63 - HD1   TRP   27  13.56 +/- 3.97  14.626% *  5.9358% (0.49   0.65   0.02) =   3.570%  kept
          QD1   LEU  104 - HD1   TRP   27  13.87 +/- 4.03  12.111% *  0.3708% (0.99   0.02   0.02) =   0.185%  kept
          QD2   LEU  115 - HD1   TRP   27  17.51 +/- 3.32   0.564% *  0.3125% (0.84   0.02   0.02) =   0.007%
          QG2   ILE   89 - HD1   TRP   27  12.01 +/- 2.80   1.259% *  0.0740% (0.20   0.02   0.02) =   0.004%
    Distance limit 4.29 A violated in 0 structures by 0.02 A, kept.
 
    Peak 68 (0.08, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.77, support = 1.74, residual support = 18.9:
          QD2   LEU   31 - HD1   TRP   27   4.56 +/- 0.97  57.348% * 74.9122% (0.73   1.99  22.42) =  83.818%  kept
          QG2   VAL   83 - HD1   TRP   27   9.51 +/- 5.22  34.000% * 24.1580% (1.00   0.47   0.37) =  16.025%  kept
          QD1   ILE   89 - HD1   TRP   27  11.05 +/- 2.87   8.652% *  0.9298% (0.90   0.02   0.02) =   0.157%  kept
    Distance limit 4.74 A violated in 1 structures by 0.12 A, kept.
 
    Peak 69 (6.73, 6.31, 122.21 ppm):
    2 chemical-shift based assignments, quality = 0.283, support = 1.28, residual support = 99.5:
      O T HZ2   TRP   27 - HH2   TRP   27   2.52 +/- 0.00  76.790% * 96.4147% (0.28  10.0 10.00   1.29 100.64) =  98.889%  kept
          HZ    PHE   72 - HH2   TRP   27  10.26 +/- 3.54  23.210% *  3.5853% (0.69   1.0  1.00   0.30   0.02) =   1.111%  kept
    Distance limit 5.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 70 (6.75, 6.35, 121.95 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.07, residual support = 100.6:
      O   HZ2   TRP   27 - HZ3   TRP   27   4.30 +/- 0.00 100.000% *100.0000% (0.92  10.0   2.07 100.64) = 100.000%  kept
    Distance limit 5.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 71 (7.32, 6.35, 121.95 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 1.54, residual support = 100.6:
      O   HE3   TRP   27 - HZ3   TRP   27   2.49 +/- 0.00  93.648% * 99.6502% (1.00  10.0   1.54 100.64) =  99.996%  kept
          HN    THR   23 - HZ3   TRP   27   9.42 +/- 0.88   1.991% *  0.0784% (0.61   1.0   0.02   1.33) =   0.002%
          QE    PHE   95 - HZ3   TRP   27  12.07 +/- 1.76   1.076% *  0.0836% (0.65   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - HZ3   TRP   27  13.04 +/- 2.87   2.350% *  0.0322% (0.25   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - HZ3   TRP   27  19.64 +/- 2.38   0.230% *  0.1267% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HZ3   TRP   27  15.95 +/- 4.80   0.704% *  0.0288% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 5.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 72 (0.76, 6.31, 122.21 ppm):
    9 chemical-shift based assignments, quality = 0.868, support = 1.23, residual support = 6.65:
        T QG1   VAL   43 - HH2   TRP   27   5.52 +/- 2.81  26.352% * 75.3506% (0.92 10.00   1.05   3.40) =  80.112%  kept
          HG    LEU   31 - HH2   TRP   27   4.70 +/- 1.21  24.482% * 10.9248% (0.65  1.00   2.18  22.42) =  10.791%  kept
          QD2   LEU   73 - HH2   TRP   27   5.19 +/- 1.47  18.688% *  8.3012% (0.49  1.00   2.20  23.90) =   6.259%  kept
          QG1   VAL   41 - HH2   TRP   27   6.14 +/- 1.56  13.532% *  5.1078% (1.00  1.00   0.66   0.38) =   2.789%  kept
          QG2   VAL   18 - HH2   TRP   27  10.86 +/- 2.40   6.682% *  0.1126% (0.73  1.00   0.02   0.02) =   0.030%
          QG2   THR   46 - HH2   TRP   27  11.41 +/- 2.66   2.101% *  0.0941% (0.61  1.00   0.02   0.02) =   0.008%
          QD2   LEU  104 - HH2   TRP   27  10.62 +/- 3.39   4.498% *  0.0272% (0.18  1.00   0.02   0.02) =   0.005%
          QD1   ILE   19 - HH2   TRP   27   9.82 +/- 1.83   2.617% *  0.0431% (0.28  1.00   0.02   0.02) =   0.005%
          QD1   ILE   56 - HH2   TRP   27  15.20 +/- 3.12   1.048% *  0.0387% (0.25  1.00   0.02   0.02) =   0.002%
    Distance limit 4.61 A violated in 0 structures by 0.03 A, kept.
 
    Peak 73 (0.76, 6.35, 121.95 ppm):
    9 chemical-shift based assignments, quality = 0.843, support = 1.79, residual support = 7.84:
        T QG1   VAL   43 - HZ3   TRP   27   5.87 +/- 2.49  15.476% * 81.1075% (0.92 10.00   1.64   3.40) =  73.658%  kept
          QD2   LEU   73 - HZ3   TRP   27   3.61 +/- 1.70  31.445% *  6.3061% (0.49  1.00   2.42  23.90) =  11.637%  kept
          HG    LEU   31 - HZ3   TRP   27   4.38 +/- 1.44  22.942% *  8.4272% (0.65  1.00   2.43  22.42) =  11.346%  kept
          QG1   VAL   41 - HZ3   TRP   27   5.49 +/- 1.96  14.318% *  3.9414% (1.00  1.00   0.74   0.38) =   3.312%  kept
          QG2   VAL   18 - HZ3   TRP   27   9.15 +/- 2.34   7.196% *  0.0777% (0.73  1.00   0.02   0.02) =   0.033%
          QD1   ILE   19 - HZ3   TRP   27   7.96 +/- 1.90   4.455% *  0.0298% (0.28  1.00   0.02   0.02) =   0.008%
          QG2   THR   46 - HZ3   TRP   27  11.13 +/- 2.36   1.005% *  0.0649% (0.61  1.00   0.02   0.02) =   0.004%
          QD2   LEU  104 - HZ3   TRP   27  11.10 +/- 3.11   2.387% *  0.0187% (0.18  1.00   0.02   0.02) =   0.003%
          QD1   ILE   56 - HZ3   TRP   27  15.02 +/- 2.75   0.775% *  0.0267% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 4.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 74 (0.58, 6.35, 121.95 ppm):
    9 chemical-shift based assignments, quality = 0.886, support = 3.33, residual support = 21.8:
        T QD1   LEU   73 - HZ3   TRP   27   4.11 +/- 1.59  27.540% * 78.4942% (0.90 10.00   3.60  23.90) =  90.842%  kept
        T QD1   LEU   63 - HZ3   TRP   27  10.00 +/- 2.66   9.754% * 15.1291% (0.90 10.00   0.39   0.02) =   6.201%  kept
          QD2   LEU   80 - HZ3   TRP   27  11.14 +/- 5.84  10.693% *  3.5506% (0.53  1.00   1.54   5.84) =   1.595%  kept
          QD2   LEU   63 - HZ3   TRP   27  10.49 +/- 2.79   9.568% *  1.6840% (0.84  1.00   0.46   0.02) =   0.677%  kept
          QG2   VAL   41 - HZ3   TRP   27   4.83 +/- 2.44  25.690% *  0.5505% (0.28  1.00   0.45   0.38) =   0.594%  kept
          QD1   LEU   80 - HZ3   TRP   27  11.76 +/- 5.92   5.566% *  0.2584% (0.15  1.00   0.38   5.84) =   0.060%
        T QD1   LEU  104 - HZ3   TRP   27  10.72 +/- 3.15   2.105% *  0.2701% (0.31 10.00   0.02   0.02) =   0.024%
          QD2   LEU   98 - HZ3   TRP   27   8.18 +/- 3.91   8.507% *  0.0135% (0.15  1.00   0.02   0.02) =   0.005%
          QD2   LEU  115 - HZ3   TRP   27  14.58 +/- 2.73   0.577% *  0.0496% (0.57  1.00   0.02   0.02) =   0.001%
    Distance limit 5.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 75 (0.08, 6.35, 121.95 ppm):
    3 chemical-shift based assignments, quality = 0.765, support = 3.23, residual support = 22.4:
        T QD2   LEU   31 - HZ3   TRP   27   2.98 +/- 0.75  75.390% * 99.0569% (0.76 10.00   3.24  22.42) =  99.799%  kept
          QG2   VAL   83 - HZ3   TRP   27   9.89 +/- 4.26  17.109% *  0.8307% (1.00  1.00   0.13   0.37) =   0.190%  kept
          QD1   ILE   89 - HZ3   TRP   27   9.66 +/- 2.36   7.501% *  0.1124% (0.87  1.00   0.02   0.02) =   0.011%
    Distance limit 4.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 76 (0.08, 6.31, 122.21 ppm):
    3 chemical-shift based assignments, quality = 0.767, support = 3.43, residual support = 22.0:
          QD2   LEU   31 - HH2   TRP   27   3.27 +/- 0.74  66.346% * 94.8252% (0.76   3.49  22.42) =  98.216%  kept
          QG2   VAL   83 - HH2   TRP   27   9.65 +/- 4.96  23.727% *  4.5579% (1.00   0.13   0.37) =   1.688%  kept
          QD1   ILE   89 - HH2   TRP   27   9.11 +/- 3.09   9.927% *  0.6169% (0.87   0.02   0.02) =   0.096%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 77 (0.58, 6.31, 122.21 ppm):
    8 chemical-shift based assignments, quality = 0.952, support = 2.98, residual support = 19.5:
          QD1   LEU   73 - HH2   TRP   27   5.48 +/- 1.50  19.835% * 64.9719% (1.00   3.53  23.90) =  79.114%  kept
          QD2   LEU   80 - HH2   TRP   27  11.68 +/- 5.95   7.865% * 19.6436% (0.76   1.39   5.84) =   9.485%  kept
          QD1   LEU   63 - HH2   TRP   27  10.56 +/- 3.02  12.412% * 10.1783% (1.00   0.55   0.02) =   7.756%  kept
          QD2   LEU   63 - HH2   TRP   27  11.18 +/- 3.01   8.062% *  3.2770% (0.61   0.29   0.02) =   1.622%  kept
          QG2   VAL   41 - HH2   TRP   27   5.25 +/- 2.35  23.301% *  0.9149% (0.14   0.37   0.38) =   1.309%  kept
          QG1   VAL   83 - HH2   TRP   27  10.16 +/- 5.71  18.144% *  0.5250% (0.15   0.18   0.37) =   0.585%  kept
          QD1   LEU  104 - HH2   TRP   27  10.38 +/- 3.44   9.382% *  0.1940% (0.53   0.02   0.02) =   0.112%  kept
          QD2   LEU  115 - HH2   TRP   27  14.66 +/- 2.89   1.000% *  0.2953% (0.80   0.02   0.02) =   0.018%
    Distance limit 5.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 78 (6.31, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 1.29, residual support = 100.6:
      O T HH2   TRP   27 - HZ2   TRP   27   2.52 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   1.29 100.64) = 100.000%  kept
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 79 (7.62, 6.75, 114.38 ppm):
    5 chemical-shift based assignments, quality = 0.893, support = 2.13, residual support = 37.6:
          HD21  ASN   28 - HZ2   TRP   27   4.96 +/- 0.81  43.795% * 74.4922% (0.87   2.55  47.30) =  76.796%  kept
          HZ2   TRP   87 - HZ2   TRP   27   9.50 +/- 7.42  39.629% * 24.7592% (0.98   0.75   5.63) =  23.097%  kept
          QE    PHE   60 - HZ2   TRP   27  11.60 +/- 2.00   6.202% *  0.4627% (0.69   0.02   0.02) =   0.068%
          HN    LEU   63 - HZ2   TRP   27  15.20 +/- 4.01   8.670% *  0.1680% (0.25   0.02   0.02) =   0.034%
          HN    ILE   56 - HZ2   TRP   27  20.27 +/- 3.78   1.704% *  0.1180% (0.18   0.02   0.02) =   0.005%
    Distance limit 5.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 80 (10.20, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 1.46, residual support = 100.6:
      O   HE1   TRP   27 - HZ2   TRP   27   2.85 +/- 0.00 100.000% *100.0000% (0.90  10.0   1.46 100.64) = 100.000%  kept
    Distance limit 5.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (10.57, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.0, residual support = 5.63:
          HE1   TRP   87 - HZ2   TRP   27  10.12 +/- 7.17 100.000% *100.0000% (0.92   2.00   5.63) = 100.000%  kept
    Distance limit 4.93 A violated in 11 structures by 5.97 A, kept.
 
    Peak 82 (0.05, 6.75, 114.38 ppm):
    2 chemical-shift based assignments, quality = 0.657, support = 2.89, residual support = 14.5:
        T QD2   LEU   31 - HZ2   TRP   27   3.49 +/- 0.72  57.069% * 51.3503% (0.49 10.00   4.21  22.42) =  58.388%  kept
        T QG2   VAL   43 - HZ2   TRP   27   6.05 +/- 3.47  42.931% * 48.6497% (0.90 10.00   1.03   3.40) =  41.612%  kept
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 83 (0.08, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.9, support = 3.26, residual support = 15.2:
        T QD1   ILE   89 - QD    PHE   45   2.85 +/- 0.64  76.315% * 88.9060% (0.90 10.00   3.29  15.70) =  96.749%  kept
          QG2   VAL   83 - QD    PHE   45   5.82 +/- 1.64  20.665% * 11.0220% (1.00  1.00   2.22   1.31) =   3.248%  kept
          QD2   LEU   31 - QD    PHE   45  10.29 +/- 1.93   3.020% *  0.0720% (0.73  1.00   0.02   0.02) =   0.003%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 84 (0.09, 6.68, 130.18 ppm):
    3 chemical-shift based assignments, quality = 0.968, support = 2.93, residual support = 12.3:
          QD1   ILE   89 - QE    PHE   45   2.80 +/- 1.10  64.620% * 61.1000% (0.97   3.21  15.70) =  76.472%  kept
          QG2   VAL   83 - QE    PHE   45   4.66 +/- 1.99  31.396% * 38.6611% (0.98   2.00   1.31) =  23.510%  kept
          QD2   LEU   31 - QE    PHE   45   9.64 +/- 2.05   3.985% *  0.2389% (0.61   0.02   0.02) =   0.018%
    Distance limit 4.20 A violated in 0 structures by 0.06 A, kept.
 
    Peak 85 (0.44, 6.86, 131.77 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.06, residual support = 17.4:
        T QG1   VAL   75 - QD    PHE   45   3.66 +/- 2.90  71.179% * 98.7429% (1.00 10.00   3.08  17.46) =  99.487%  kept
          QD1   LEU  115 - QD    PHE   45   8.77 +/- 2.42  28.821% *  1.2571% (0.97  1.00   0.26   0.02) =   0.513%  kept
    Distance limit 4.50 A violated in 3 structures by 0.33 A, kept.
 
    Peak 86 (1.00, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.988, support = 2.13, residual support = 17.4:
        T HB    VAL   75 - QD    PHE   45   5.66 +/- 3.14  42.539% * 98.5511% (0.99 10.00   2.13  17.46) =  99.473%  kept
          HG3   LYS+  74 - QD    PHE   45   9.42 +/- 2.56  16.488% *  1.2285% (0.38  1.00   0.66   0.02) =   0.481%  kept
          QD2   LEU   40 - QD    PHE   45  10.68 +/- 1.18  10.806% *  0.0643% (0.65  1.00   0.02   0.02) =   0.016%
          QG2   ILE  103 - QD    PHE   45   9.50 +/- 1.41  11.817% *  0.0484% (0.49  1.00   0.02   0.02) =   0.014%
          QD1   LEU   67 - QD    PHE   45  10.16 +/- 1.69   6.516% *  0.0603% (0.61  1.00   0.02   0.02) =   0.009%
          QD1   ILE  119 - QD    PHE   45  11.03 +/- 2.10   7.523% *  0.0339% (0.34  1.00   0.02   0.02) =   0.006%
          HB2   LEU  104 - QD    PHE   45  13.12 +/- 1.41   4.312% *  0.0135% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 4.67 A violated in 5 structures by 1.19 A, kept.
 
    Peak 87 (1.32, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 3.23, residual support = 10.4:
        T QG2   THR   77 - QD    PHE   45   4.32 +/- 3.69  47.616% * 69.6581% (0.65 10.00   3.11   9.64) =  85.573%  kept
        T HB3   ASP-  44 - QD    PHE   45   4.69 +/- 0.23  20.263% * 21.3095% (0.20 10.00   4.61  18.79) =  11.140%  kept
          QB    ALA   88 - QD    PHE   45   7.19 +/- 1.20  14.633% *  8.6448% (0.97  1.00   1.66   0.79) =   3.264%  kept
          HB2   LEU   31 - QD    PHE   45  14.54 +/- 3.11   8.754% *  0.0567% (0.53  1.00   0.02   0.02) =   0.013%
          HB3   LEU   80 - QD    PHE   45   8.19 +/- 2.83   4.795% *  0.0404% (0.38  1.00   0.02   0.02) =   0.005%
          HG2   LYS+ 111 - QD    PHE   45  13.52 +/- 2.11   0.981% *  0.0653% (0.61  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - QD    PHE   45  10.52 +/- 2.05   2.074% *  0.0299% (0.28  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  38 - QD    PHE   45  19.77 +/- 2.13   0.436% *  0.1019% (0.95  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD    PHE   45  16.56 +/- 1.32   0.447% *  0.0934% (0.87  1.00   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 0 structures by 0.03 A, kept.
 
    Peak 88 (1.20, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.705, support = 0.765, residual support = 25.0:
          QG2   THR   94 - QD    PHE   45   3.41 +/- 0.76  60.026% * 65.1366% (0.80   0.75  27.35) =  80.425%  kept
          HG12  ILE   89 - QD    PHE   45   4.47 +/- 0.89  33.488% * 28.0722% (0.31   0.84  15.70) =  19.337%  kept
          HD2   LYS+ 112 - QD    PHE   45  13.45 +/- 3.57   2.726% *  2.1692% (1.00   0.02   0.02) =   0.122%  kept
          HB3   LYS+ 112 - QD    PHE   45  13.49 +/- 2.90   1.495% *  1.6578% (0.76   0.02   0.02) =   0.051%
          HB3   LEU   71 - QD    PHE   45  14.16 +/- 1.98   0.996% *  2.1500% (0.99   0.02   0.02) =   0.044%
          HG3   LYS+ 111 - QD    PHE   45  13.33 +/- 2.14   1.269% *  0.8141% (0.38   0.02   0.02) =   0.021%
    Distance limit 4.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 89 (0.45, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 2.5, residual support = 17.4:
        T QG1   VAL   75 - QE    PHE   45   4.06 +/- 2.65  72.063% * 99.6626% (0.90 10.00   2.50  17.46) =  99.869%  kept
          QD1   LEU  115 - QE    PHE   45   9.99 +/- 2.61  27.937% *  0.3374% (0.73  1.00   0.08   0.02) =   0.131%  kept
    Distance limit 4.88 A violated in 3 structures by 0.40 A, kept.
 
    Peak 90 (1.75, 6.68, 130.18 ppm):
    6 chemical-shift based assignments, quality = 0.6, support = 0.731, residual support = 15.3:
          HB    ILE   89 - QE    PHE   45   4.30 +/- 1.12  36.844% * 94.4406% (0.61   0.75  15.70) =  97.459%  kept
          HB    VAL   43 - QE    PHE   45   4.25 +/- 2.66  47.077% *  1.5584% (0.38   0.02   0.02) =   2.055%  kept
          QD    LYS+  81 - QE    PHE   45   9.28 +/- 2.72   9.463% *  1.2816% (0.31   0.02   0.02) =   0.340%  kept
          QG1   ILE   56 - QE    PHE   45  11.25 +/- 2.33   4.139% *  0.6407% (0.15   0.02   0.02) =   0.074%
          HB2   LYS+  99 - QE    PHE   45  13.97 +/- 2.42   1.320% *  1.1545% (0.28   0.02   0.02) =   0.043%
          HB3   LYS+  99 - QE    PHE   45  14.46 +/- 2.55   1.158% *  0.9244% (0.22   0.02   0.02) =   0.030%
    Distance limit 4.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 91 (1.95, 6.68, 130.18 ppm):
    6 chemical-shift based assignments, quality = 0.453, support = 1.94, residual support = 7.76:
          HB3   MET   96 - QE    PHE   45   5.33 +/- 2.57  53.190% * 93.5145% (0.45   1.96   7.86) =  98.622%  kept
          HB3   ARG+  54 - QE    PHE   45  15.38 +/- 3.16  13.694% *  1.9601% (0.92   0.02   0.02) =   0.532%  kept
          HB    VAL   18 - QE    PHE   45  12.79 +/- 3.82  17.700% *  1.4586% (0.69   0.02   0.02) =   0.512%  kept
          HB2   LEU   40 - QE    PHE   45  14.17 +/- 2.35   4.648% *  1.7736% (0.84   0.02   0.02) =   0.163%  kept
          HB2   LEU   67 - QE    PHE   45  13.83 +/- 2.12   9.027% *  0.8729% (0.41   0.02   0.02) =   0.156%  kept
          HB3   GLU-  14 - QE    PHE   45  20.73 +/- 3.36   1.741% *  0.4202% (0.20   0.02   0.02) =   0.015%
    Distance limit 5.02 A violated in 6 structures by 0.92 A, kept.
 
    Peak 92 (2.24, 6.68, 130.18 ppm):
    10 chemical-shift based assignments, quality = 0.262, support = 1.86, residual support = 7.25:
        T HB2   MET   96 - QE    PHE   45   4.98 +/- 2.52  39.035% * 79.4248% (0.22 10.00   1.93   7.86) =  91.095%  kept
          HB3   ASP-  76 - QE    PHE   45   8.43 +/- 2.48  15.646% * 16.6101% (0.73  1.00   1.24   1.08) =   7.636%  kept
          QG    GLN   90 - QE    PHE   45   6.95 +/- 1.25  17.867% *  1.8078% (0.22  1.00   0.44   0.02) =   0.949%  kept
        T HB3   PHE   72 - QE    PHE   45  10.14 +/- 2.17   7.064% *  0.6464% (0.18 10.00   0.02   0.02) =   0.134%  kept
          HG3   MET   92 - QE    PHE   45   9.57 +/- 1.72  11.938% *  0.3562% (0.97  1.00   0.02   0.02) =   0.125%  kept
          HB2   ASP- 105 - QE    PHE   45  11.84 +/- 2.38   2.524% *  0.3407% (0.92  1.00   0.02   0.02) =   0.025%
          HG12  ILE  119 - QE    PHE   45  14.08 +/- 2.55   3.214% *  0.1942% (0.53  1.00   0.02   0.02) =   0.018%
          HB2   GLU-  29 - QE    PHE   45  16.02 +/- 2.26   1.132% *  0.3310% (0.90  1.00   0.02   0.02) =   0.011%
          HG2   GLU- 100 - QE    PHE   45  17.26 +/- 2.57   0.739% *  0.2388% (0.65  1.00   0.02   0.02) =   0.005%
          QG    GLU-  14 - QE    PHE   45  18.53 +/- 2.88   0.840% *  0.0500% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 5.28 A violated in 0 structures by 0.07 A, kept.
 
    Peak 93 (6.37, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 1.0, residual support = 79.8:
      O T HZ    PHE   45 - QE    PHE   45   2.18 +/- 0.00  97.560% * 99.8696% (0.53  10.0 10.00   1.00  79.80) =  99.997%  kept
          HZ3   TRP   27 - QE    PHE   45   9.24 +/- 2.64   2.440% *  0.1304% (0.69   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 94 (6.84, 6.68, 130.18 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.62, residual support = 79.8:
      O   QD    PHE   45 - QE    PHE   45   2.23 +/- 0.00  98.881% * 99.6976% (0.65  10.0   3.62  79.80) =  99.999%  kept
          HD2   HIS  122 - QE    PHE   45  15.62 +/- 3.21   0.468% *  0.1382% (0.90   1.0   0.02   0.02) =   0.001%
          HE22  GLN  116 - QE    PHE   45  17.52 +/- 3.24   0.301% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - QE    PHE   45  18.08 +/- 3.42   0.350% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 95 (1.94, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.8, support = 1.95, residual support = 7.83:
          HB3   MET   96 - QD    PHE   45   5.90 +/- 1.56  57.160% * 96.4435% (0.80   1.96   7.86) =  99.563%  kept
          HB3   ARG+  54 - QD    PHE   45  13.73 +/- 2.69  11.346% *  0.7445% (0.61   0.02   0.02) =   0.153%  kept
          HB    VAL   18 - QD    PHE   45  12.68 +/- 3.57  16.055% *  0.4187% (0.34   0.02   0.02) =   0.121%  kept
          HB2   LEU   40 - QD    PHE   45  14.23 +/- 1.40   5.000% *  1.2275% (1.00   0.02   0.02) =   0.111%  kept
          HB2   LEU   67 - QD    PHE   45  13.36 +/- 1.80   7.730% *  0.1894% (0.15   0.02   0.02) =   0.026%
          HB3   GLU-  14 - QD    PHE   45  21.02 +/- 3.19   1.810% *  0.5975% (0.49   0.02   0.02) =   0.020%
          HG3   MET   11 - QD    PHE   45  27.43 +/- 5.14   0.898% *  0.3789% (0.31   0.02   0.02) =   0.006%
    Distance limit 5.23 A violated in 4 structures by 0.83 A, kept.
 
    Peak 96 (2.22, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.884, support = 2.06, residual support = 5.63:
          HB2   MET   96 - QD    PHE   45   5.61 +/- 1.51  41.916% * 50.2297% (0.87   2.13   7.86) =  67.107%  kept
          HB3   ASP-  76 - QD    PHE   45   8.18 +/- 2.76  21.354% * 47.9348% (0.92   1.91   1.08) =  32.626%  kept
          HG3   MET   92 - QD    PHE   45   8.15 +/- 1.21  17.034% *  0.1851% (0.34   0.02   0.02) =   0.100%  kept
          HB2   ASP- 105 - QD    PHE   45  11.77 +/- 1.64   4.574% *  0.3939% (0.73   0.02   0.02) =   0.057%
          HB    VAL   70 - QD    PHE   45  12.34 +/- 1.94   4.998% *  0.2432% (0.45   0.02   0.02) =   0.039%
          QG    GLN   17 - QD    PHE   45  14.73 +/- 3.09   4.445% *  0.2036% (0.38   0.02   0.02) =   0.029%
          HG2   GLU- 100 - QD    PHE   45  18.17 +/- 1.58   1.270% *  0.5236% (0.97   0.02   0.02) =   0.021%
          HB2   GLU-  25 - QD    PHE   45  16.31 +/- 2.24   2.267% *  0.1508% (0.28   0.02   0.02) =   0.011%
          HB2   GLU-  29 - QD    PHE   45  16.88 +/- 2.34   2.142% *  0.1353% (0.25   0.02   0.02) =   0.009%
    Distance limit 5.49 A violated in 0 structures by 0.15 A, kept.
 
    Peak 97 (2.43, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.06, residual support = 79.8:
      O T HB3   PHE   45 - QD    PHE   45   2.50 +/- 0.17  90.201% * 99.5701% (0.80  10.0 10.00   5.06  79.80) =  99.991%  kept
          QE    LYS+ 112 - QD    PHE   45  11.78 +/- 3.42   3.369% *  0.0996% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP-  86 - QD    PHE   45   9.60 +/- 1.30   2.213% *  0.1079% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL  107 - QD    PHE   45   8.36 +/- 1.01   2.691% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  62 - QD    PHE   45  12.25 +/- 2.21   1.136% *  0.0557% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - QD    PHE   45  18.09 +/- 2.71   0.390% *  0.1200% (0.97   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 98 (3.06, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.36, residual support = 79.8:
      O T HB2   PHE   45 - QD    PHE   45   2.53 +/- 0.20  97.627% * 99.8423% (0.97  10.0 10.00   4.36  79.80) =  99.998%  kept
          QE    LYS+ 111 - QD    PHE   45  12.43 +/- 2.19   1.210% *  0.1032% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - QD    PHE   45  12.69 +/- 2.28   1.164% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 99 (3.95, 6.86, 131.77 ppm):
    12 chemical-shift based assignments, quality = 0.686, support = 2.92, residual support = 27.0:
          HB    THR   94 - QD    PHE   45   2.89 +/- 0.73  69.554% * 81.5060% (0.69   2.96  27.35) =  98.586%  kept
          QB    SER   85 - QD    PHE   45   9.09 +/- 1.23   5.251% *  8.9978% (0.95   0.24   0.02) =   0.822%  kept
          HA    ALA   88 - QD    PHE   45   8.43 +/- 1.04   5.225% *  5.0799% (0.15   0.82   0.79) =   0.462%  kept
          QB    SER   48 - QD    PHE   45   9.43 +/- 1.06   3.585% *  0.6426% (0.80   0.02   0.02) =   0.040%
          HA    LYS+  65 - QD    PHE   45  13.09 +/- 2.81   1.858% *  0.7197% (0.90   0.02   0.02) =   0.023%
          HD2   PRO   52 - QD    PHE   45  11.85 +/- 2.07   3.175% *  0.2477% (0.31   0.02   0.02) =   0.014%
          QB    SER  117 - QD    PHE   45  13.14 +/- 2.05   3.260% *  0.2231% (0.28   0.02   0.02) =   0.013%
          HA    GLN   32 - QD    PHE   45  17.58 +/- 3.83   5.122% *  0.1405% (0.18   0.02   0.02) =   0.013%
          HA2   GLY   51 - QD    PHE   45  13.55 +/- 1.68   1.440% *  0.4222% (0.53   0.02   0.02) =   0.011%
          HA    ALA  120 - QD    PHE   45  17.52 +/- 2.30   0.584% *  0.7745% (0.97   0.02   0.02) =   0.008%
          HA2   GLY   16 - QD    PHE   45  18.91 +/- 3.73   0.447% *  0.7591% (0.95   0.02   0.02) =   0.006%
          HA    LYS+ 121 - QD    PHE   45  17.68 +/- 2.32   0.499% *  0.4868% (0.61   0.02   0.02) =   0.004%
    Distance limit 5.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 100 (4.31, 6.86, 131.77 ppm):
    10 chemical-shift based assignments, quality = 0.335, support = 4.23, residual support = 17.8:
          HA    ASP-  44 - QD    PHE   45   3.51 +/- 1.00  52.386% * 74.3872% (0.34   4.56  18.79) =  91.148%  kept
          HB    THR   77 - QD    PHE   45   6.57 +/- 3.94  26.505% * 11.6824% (0.28   0.88   9.64) =   7.243%  kept
          HA    SER   85 - QD    PHE   45   8.65 +/- 1.46   6.438% *  9.1142% (0.28   0.69   0.02) =   1.372%  kept
          HA    TRP   87 - QD    PHE   45   8.53 +/- 1.07   7.640% *  0.6536% (0.15   0.09   0.02) =   0.117%  kept
          HA    ASP-  86 - QD    PHE   45  10.49 +/- 1.15   3.639% *  0.9376% (0.98   0.02   0.02) =   0.080%
          HA    LEU  104 - QD    PHE   45  14.41 +/- 1.60   0.954% *  0.7990% (0.84   0.02   0.02) =   0.018%
          HA    GLU-  14 - QD    PHE   45  21.50 +/- 2.85   0.322% *  0.9545% (1.00   0.02   0.02) =   0.007%
          HA    ILE  103 - QD    PHE   45  12.34 +/- 1.40   1.594% *  0.1893% (0.20   0.02   0.02) =   0.007%
          HA    ALA   12 - QD    PHE   45  24.83 +/- 3.98   0.284% *  0.9232% (0.97   0.02   0.02) =   0.006%
          HA    MET   11 - QD    PHE   45  26.90 +/- 4.47   0.238% *  0.3590% (0.38   0.02   0.02) =   0.002%
    Distance limit 5.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 101 (4.88, 6.86, 131.77 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 5.01, residual support = 78.8:
          HA    PHE   45 - QD    PHE   45   2.76 +/- 0.47  79.367% * 92.6918% (0.25   5.07  79.80) =  98.800%  kept
          HA    MET   92 - QD    PHE   45   5.92 +/- 1.70  18.618% *  4.6668% (0.25   0.26   0.02) =   1.167%  kept
          HA    VAL   41 - QD    PHE   45  10.67 +/- 1.33   1.612% *  1.1746% (0.80   0.02   0.02) =   0.025%
          HA    HIS  122 - QD    PHE   45  17.81 +/- 2.68   0.403% *  1.4668% (1.00   0.02   0.02) =   0.008%
    Distance limit 5.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 102 (8.76, 6.86, 131.77 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.41, residual support = 67.2:
          HN    PHE   45 - QD    PHE   45   2.52 +/- 0.78  71.946% * 56.5369% (0.45   5.69  79.80) =  79.295%  kept
          HN    ASP-  44 - QD    PHE   45   4.34 +/- 0.92  24.711% * 42.9433% (0.45   4.33  18.79) =  20.687%  kept
          HN    ALA  110 - QD    PHE   45  10.27 +/- 1.77   2.544% *  0.3042% (0.69   0.02   0.02) =   0.015%
          HN    GLU-  25 - QD    PHE   45  14.24 +/- 2.38   0.799% *  0.2156% (0.49   0.02   0.02) =   0.003%
    Distance limit 5.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 103 (6.68, 6.38, 129.17 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 79.8:
      O   QE    PHE   45 - HZ    PHE   45   2.18 +/- 0.00  97.243% * 99.7606% (0.98  10.0   1.00  79.80) =  99.995%  kept
          QD    PHE   72 - HZ    PHE   45  10.16 +/- 2.21   2.572% *  0.1766% (0.87   1.0   0.02   0.02) =   0.005%
          HD22  ASN   69 - HZ    PHE   45  20.22 +/- 3.87   0.185% *  0.0628% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 104 (6.61, 7.35, 128.88 ppm):
    3 chemical-shift based assignments, quality = 0.668, support = 4.3, residual support = 46.4:
          HN    TRP   49 - HD1   TRP   49   2.45 +/- 0.86  67.590% * 33.6098% (0.38   4.88  84.63) =  51.666%  kept
          HN    CYS   50 - HD1   TRP   49   3.60 +/- 1.12  32.117% * 66.1675% (0.98   3.68   5.46) =  48.333%  kept
          HN    VAL   83 - HD1   TRP   49  17.31 +/- 3.35   0.293% *  0.2226% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 105 (11.09, 7.35, 128.88 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 2.32, residual support = 84.6:
      O   HE1   TRP   49 - HD1   TRP   49   2.64 +/- 0.00 100.000% *100.0000% (0.84  10.0   2.32  84.63) = 100.000%  kept
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 107 (7.16, 7.49, 115.54 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 1.0, residual support = 84.6:
      O   HH2   TRP   49 - HZ2   TRP   49   2.52 +/- 0.00  98.883% * 99.8040% (0.41  10.0   1.00  84.63) =  99.999%  kept
          QD    PHE   97 - HZ2   TRP   49  17.18 +/- 3.31   0.962% *  0.0749% (0.15   1.0   0.02   0.02) =   0.001%
          HE21  GLN   30 - HZ2   TRP   49  24.80 +/- 3.88   0.154% *  0.1211% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 108 (11.08, 7.49, 115.54 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 1.0, residual support = 84.6:
      O   HE1   TRP   49 - HZ2   TRP   49   2.85 +/- 0.00 100.000% *100.0000% (0.53  10.0   1.00  84.63) = 100.000%  kept
    Distance limit 4.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 109 (7.49, 7.18, 125.21 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 84.6:
      O   HZ2   TRP   49 - HH2   TRP   49   2.52 +/- 0.00  99.472% * 99.8708% (1.00  10.0   1.00  84.63) =  99.999%  kept
          HN    LYS+ 121 - HH2   TRP   49  20.03 +/- 5.00   0.528% *  0.1292% (0.65   1.0   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 110 (0.08, 6.38, 129.17 ppm):
    3 chemical-shift based assignments, quality = 0.88, support = 1.48, residual support = 11.5:
          QD1   ILE   89 - HZ    PHE   45   3.47 +/- 1.51  58.026% * 60.0980% (0.84   1.71  15.70) =  70.883%  kept
          QG2   VAL   83 - HZ    PHE   45   5.04 +/- 2.34  36.421% * 39.2280% (0.99   0.94   1.31) =  29.040%  kept
          QD2   LEU   31 - HZ    PHE   45  10.89 +/- 2.43   5.553% *  0.6741% (0.80   0.02   0.02) =   0.076%
    Distance limit 5.09 A violated in 1 structures by 0.09 A, kept.
 
    Peak 111 (3.70, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 4.75, residual support = 84.6:
      O T HB2   TRP   49 - HD1   TRP   49   3.88 +/- 0.08  81.812% * 99.5547% (0.65  10.0 10.00   4.75  84.63) =  99.983%  kept
          HA    ILE  119 - HD1   TRP   49  19.76 +/- 4.97   5.294% *  0.1117% (0.73   1.0  1.00   0.02   0.02) =   0.007%
          HA2   GLY  109 - HD1   TRP   49  15.22 +/- 4.68   4.937% *  0.0428% (0.28   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL   75 - HD1   TRP   49  15.80 +/- 3.41   1.963% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR  118 - HD1   TRP   49  20.39 +/- 5.21   1.877% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   84 - HD1   TRP   49  14.80 +/- 2.74   2.238% *  0.0690% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   58 - HD1   TRP   49  15.72 +/- 2.99   1.880% *  0.0475% (0.31   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 112 (3.15, 7.35, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.75, residual support = 84.6:
      O T HB3   TRP   49 - HD1   TRP   49   2.91 +/- 0.16  98.554% * 99.9191% (0.90  10.0 10.00   4.75  84.63) =  99.999%  kept
          HB3   PHE   59 - HD1   TRP   49  15.60 +/- 3.17   1.446% *  0.0809% (0.73   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 113 (0.38, 7.35, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 3.9, residual support = 16.2:
          QB    ALA   47 - HD1   TRP   49   2.65 +/- 0.78  83.264% * 99.0579% (0.84   3.90  16.20) =  99.949%  kept
          HG2   LYS+ 112 - HD1   TRP   49  15.38 +/- 4.67  11.459% *  0.2281% (0.38   0.02   0.02) =   0.032%
          QB    ALA   64 - HD1   TRP   49  15.15 +/- 2.52   4.205% *  0.2725% (0.45   0.02   0.02) =   0.014%
          QG1   VAL   42 - HD1   TRP   49  14.70 +/- 2.09   1.072% *  0.4414% (0.73   0.02   0.02) =   0.006%
    Distance limit 4.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 118 (1.84, 7.49, 115.54 ppm):
    13 chemical-shift based assignments, quality = 0.863, support = 0.499, residual support = 1.11:
        T HG    LEU  123 - HZ2   TRP   49  20.50 +/- 6.83  13.387% * 80.3266% (0.87 10.00   0.36   0.02) =  63.367%  kept
          HB3   PRO   52 - HZ2   TRP   49   7.25 +/- 3.91  36.603% * 16.6754% (0.87  1.00   0.75   3.06) =  35.968%  kept
          HG2   ARG+  54 - HZ2   TRP   49  11.38 +/- 2.03   6.159% *  0.3521% (0.69  1.00   0.02   0.02) =   0.128%  kept
          HB    VAL   41 - HZ2   TRP   49  21.34 +/- 4.55   9.248% *  0.2298% (0.45  1.00   0.02   0.02) =   0.125%  kept
          QB    LYS+ 106 - HZ2   TRP   49  15.88 +/- 4.76  10.819% *  0.1749% (0.34  1.00   0.02   0.02) =   0.111%  kept
          QB    LYS+  66 - HZ2   TRP   49  18.00 +/- 4.54   9.882% *  0.1425% (0.28  1.00   0.02   0.02) =   0.083%
          QB    LYS+  81 - HZ2   TRP   49  14.94 +/- 3.35   4.513% *  0.1924% (0.38  1.00   0.02   0.02) =   0.051%
          HB3   GLN   90 - HZ2   TRP   49  13.80 +/- 2.50   3.465% *  0.2298% (0.45  1.00   0.02   0.02) =   0.047%
          HG3   PRO   68 - HZ2   TRP   49  23.12 +/- 5.43   1.347% *  0.3918% (0.76  1.00   0.02   0.02) =   0.031%
          HB    ILE  103 - HZ2   TRP   49  22.76 +/- 5.48   1.314% *  0.3723% (0.73  1.00   0.02   0.02) =   0.029%
          HG12  ILE  103 - HZ2   TRP   49  21.74 +/- 4.92   1.294% *  0.3109% (0.61  1.00   0.02   0.02) =   0.024%
          HB3   ASP- 105 - HZ2   TRP   49  20.56 +/- 4.26   1.081% *  0.3316% (0.65  1.00   0.02   0.02) =   0.021%
          QB    LYS+  33 - HZ2   TRP   49  25.95 +/- 4.49   0.888% *  0.2697% (0.53  1.00   0.02   0.02) =   0.014%
    Distance limit 4.88 A violated in 2 structures by 0.83 A, kept.
 
    Peak 119 (0.38, 7.49, 115.54 ppm):
    4 chemical-shift based assignments, quality = 0.686, support = 2.02, residual support = 16.2:
          QB    ALA   47 - HZ2   TRP   49   4.12 +/- 1.25  65.981% * 98.0008% (0.69   2.03  16.20) =  99.680%  kept
          QB    ALA   64 - HZ2   TRP   49  15.13 +/- 2.92  15.471% *  0.8527% (0.61   0.02   0.02) =   0.203%  kept
          HG2   LYS+ 112 - HZ2   TRP   49  13.13 +/- 4.91  16.139% *  0.3506% (0.25   0.02   0.02) =   0.087%
          QG1   VAL   42 - HZ2   TRP   49  14.25 +/- 2.46   2.408% *  0.7959% (0.57   0.02   0.02) =   0.030%
    Distance limit 4.80 A violated in 1 structures by 0.10 A, kept.
 
    Peak 120 (2.30, 7.18, 125.21 ppm):
    10 chemical-shift based assignments, quality = 0.367, support = 0.705, residual support = 2.88:
          HG2   PRO   52 - HH2   TRP   49   5.91 +/- 4.09  41.351% * 73.0242% (0.34   0.75   3.06) =  93.850%  kept
          HG2   MET   92 - HH2   TRP   49  10.73 +/- 4.75  19.378% *  4.9520% (0.87   0.02   0.02) =   2.982%  kept
          QG    GLU- 114 - HH2   TRP   49  13.06 +/- 3.94  10.049% *  4.5712% (0.80   0.02   0.02) =   1.428%  kept
          HB2   GLU-  79 - HH2   TRP   49  18.71 +/- 4.79   5.089% *  4.1454% (0.73   0.02   0.02) =   0.656%  kept
          HB2   ASP-  44 - HH2   TRP   49  15.43 +/- 1.96  13.136% *  0.9998% (0.18   0.02   0.02) =   0.408%  kept
          HG3   GLU-  36 - HH2   TRP   49  33.69 +/- 5.73   1.804% *  4.9520% (0.87   0.02   0.02) =   0.278%  kept
          QG    GLU-  15 - HH2   TRP   49  28.44 +/- 5.12   3.285% *  1.4235% (0.25   0.02   0.02) =   0.145%  kept
          QB    MET   11 - HH2   TRP   49  35.04 +/- 5.84   0.852% *  3.9214% (0.69   0.02   0.02) =   0.104%  kept
          QG    GLU-  14 - HH2   TRP   49  28.74 +/- 5.23   3.700% *  0.8808% (0.15   0.02   0.02) =   0.101%  kept
          HG3   GLU-  25 - HH2   TRP   49  28.60 +/- 4.33   1.354% *  1.1298% (0.20   0.02   0.02) =   0.048%
    Distance limit 5.19 A violated in 5 structures by 0.96 A, kept.
 
    Peak 121 (1.84, 7.18, 125.21 ppm):
    13 chemical-shift based assignments, quality = 0.864, support = 1.87, residual support = 2.81:
          HB3   PRO   52 - HH2   TRP   49   6.41 +/- 4.46  40.010% * 76.7566% (0.87   2.00   3.06) =  91.562%  kept
          HG    LEU  123 - HH2   TRP   49  20.26 +/- 6.66  14.620% * 18.0686% (0.87   0.47   0.02) =   7.876%  kept
          HB    ILE  103 - HH2   TRP   49  23.99 +/- 5.90   7.044% *  0.6426% (0.73   0.02   0.02) =   0.135%  kept
          HB    VAL   41 - HH2   TRP   49  22.39 +/- 5.11  10.352% *  0.3967% (0.45   0.02   0.02) =   0.122%  kept
          QB    LYS+  66 - HH2   TRP   49  18.12 +/- 4.92  10.420% *  0.2460% (0.28   0.02   0.02) =   0.076%
          HG2   ARG+  54 - HH2   TRP   49  10.66 +/- 2.79   3.511% *  0.6078% (0.69   0.02   0.02) =   0.064%
          QB    LYS+ 106 - HH2   TRP   49  17.06 +/- 4.62   7.066% *  0.3018% (0.34   0.02   0.02) =   0.064%
          HG12  ILE  103 - HH2   TRP   49  23.06 +/- 5.08   3.025% *  0.5367% (0.61   0.02   0.02) =   0.048%
          QB    LYS+  81 - HH2   TRP   49  16.20 +/- 3.67   1.398% *  0.3321% (0.38   0.02   0.02) =   0.014%
          HB3   ASP- 105 - HH2   TRP   49  21.55 +/- 4.14   0.685% *  0.5724% (0.65   0.02   0.02) =   0.012%
          HB3   GLN   90 - HH2   TRP   49  15.51 +/- 2.58   0.984% *  0.3967% (0.45   0.02   0.02) =   0.012%
          HG3   PRO   68 - HH2   TRP   49  23.43 +/- 5.84   0.559% *  0.6762% (0.76   0.02   0.02) =   0.011%
          QB    LYS+  33 - HH2   TRP   49  26.91 +/- 4.84   0.326% *  0.4656% (0.53   0.02   0.02) =   0.005%
    Distance limit 4.93 A violated in 1 structures by 0.35 A, kept.
 
    Peak 122 (3.36, 7.32, 132.31 ppm):
    5 chemical-shift based assignments, quality = 0.255, support = 2.36, residual support = 20.6:
      O   QB    PHE   55 - QD    PHE   55   2.19 +/- 0.06  90.562% * 72.3124% (0.25  10.0   2.36  20.90) =  98.260%  kept
          HD2   ARG+  54 - QD    PHE   55   6.33 +/- 0.75   4.296% * 25.3543% (0.61   1.0   2.88   4.31) =   1.634%  kept
          HB3   CYS   53 - QD    PHE   55   7.48 +/- 1.03   3.196% *  2.1448% (0.53   1.0   0.28   0.02) =   0.103%  kept
          HD3   PRO   93 - QD    PHE   55  11.05 +/- 3.25   1.646% *  0.0989% (0.34   1.0   0.02   0.02) =   0.002%
          HD3   PRO   68 - QD    PHE   55  17.43 +/- 2.87   0.300% *  0.0895% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 123 (4.46, 7.32, 132.31 ppm):
    6 chemical-shift based assignments, quality = 0.845, support = 2.06, residual support = 19.7:
          HA    PHE   55 - QD    PHE   55   2.73 +/- 0.56  86.919% * 64.1909% (0.84   2.13  20.90) =  94.154%  kept
          HA    ALA  110 - QD    PHE   55   9.75 +/- 4.18  10.009% * 34.5271% (1.00   0.96   0.02) =   5.832%  kept
          HA    VAL  107 - QD    PHE   55  13.31 +/- 3.12   1.391% *  0.2459% (0.34   0.02   0.02) =   0.006%
          HA    GLN   90 - QD    PHE   55  17.17 +/- 2.51   0.468% *  0.6958% (0.97   0.02   0.02) =   0.006%
          HA    ALA   91 - QD    PHE   55  14.91 +/- 2.79   0.715% *  0.1605% (0.22   0.02   0.02) =   0.002%
          HA    VAL   42 - QD    PHE   55  17.16 +/- 1.38   0.498% *  0.1798% (0.25   0.02   0.02) =   0.002%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 124 (1.43, 7.32, 132.31 ppm):
    14 chemical-shift based assignments, quality = 0.443, support = 2.77, residual support = 5.96:
          HB3   LEU  115 - QD    PHE   55   7.53 +/- 2.96  23.632% * 59.2071% (0.31  1.00   3.60   7.88) =  75.489%  kept
          QB    ALA  110 - QD    PHE   55   8.09 +/- 3.43  20.905% *  9.7371% (0.80  1.00   0.23   0.02) =  10.982%  kept
          QB    ALA   61 - QD    PHE   55   9.82 +/- 1.07  12.745% * 13.2515% (0.97  1.00   0.26   0.02) =   9.112%  kept
        T QG    LYS+  66 - QD    PHE   55  14.08 +/- 2.88   5.467% * 10.0698% (0.95 10.00   0.02   0.02) =   2.970%  kept
        T HG    LEU   67 - QD    PHE   55  17.15 +/- 3.13   4.552% *  2.3700% (0.22 10.00   0.02   0.02) =   0.582%  kept
          HG    LEU   80 - QD    PHE   55  21.57 +/- 5.16   5.442% *  0.8892% (0.84  1.00   0.02   0.02) =   0.261%  kept
          HB3   LEU   67 - QD    PHE   55  17.25 +/- 2.69   2.724% *  1.0645% (1.00  1.00   0.02   0.02) =   0.156%  kept
          HG    LEU   73 - QD    PHE   55  18.71 +/- 3.73   2.335% *  0.8524% (0.80  1.00   0.02   0.02) =   0.107%  kept
          HB2   LEU   80 - QD    PHE   55  20.57 +/- 4.66   4.592% *  0.3286% (0.31  1.00   0.02   0.02) =   0.081%
          HD3   LYS+ 121 - QD    PHE   55  15.44 +/- 2.68   6.878% *  0.2107% (0.20  1.00   0.02   0.02) =   0.078%
          HB3   LYS+  74 - QD    PHE   55  16.94 +/- 3.48   6.784% *  0.1864% (0.18  1.00   0.02   0.02) =   0.068%
          HG12  ILE   19 - QD    PHE   55  22.61 +/- 3.16   1.271% *  0.7730% (0.73  1.00   0.02   0.02) =   0.053%
          HG    LEU   40 - QD    PHE   55  19.08 +/- 2.80   2.177% *  0.3286% (0.31  1.00   0.02   0.02) =   0.039%
          HG2   LYS+ 102 - QD    PHE   55  26.16 +/- 2.53   0.494% *  0.7312% (0.69  1.00   0.02   0.02) =   0.019%
    Distance limit 4.61 A violated in 9 structures by 1.42 A, kept.
 
    Peak 125 (0.58, 7.32, 132.31 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 2.72, residual support = 7.69:
          QD2   LEU  115 - QD    PHE   55   6.24 +/- 2.00  44.366% * 91.1938% (0.87  1.00   2.79   7.88) =  97.532%  kept
        T QD2   LEU   80 - QD    PHE   55  18.03 +/- 4.56  12.084% *  6.2982% (0.84 10.00   0.02   0.02) =   1.835%  kept
          QD1   LEU   63 - QD    PHE   55   9.89 +/- 2.66  18.642% *  0.7524% (1.00  1.00   0.02   0.02) =   0.338%  kept
          QD1   LEU   73 - QD    PHE   55  16.05 +/- 3.32   7.896% *  0.7524% (1.00  1.00   0.02   0.02) =   0.143%  kept
          QD2   LEU   63 - QD    PHE   55  11.10 +/- 2.64  12.229% *  0.3967% (0.53  1.00   0.02   0.02) =   0.117%  kept
          QD1   LEU  104 - QD    PHE   55  17.46 +/- 2.22   2.467% *  0.4573% (0.61  1.00   0.02   0.02) =   0.027%
          QG1   VAL   83 - QD    PHE   55  18.45 +/- 2.93   2.316% *  0.1492% (0.20  1.00   0.02   0.02) =   0.008%
    Distance limit 4.81 A violated in 8 structures by 1.15 A, kept.
 
    Peak 126 (3.16, 7.33, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.938, support = 0.02, residual support = 0.02:
          HB3   PHE   59 - QE    PHE   95   6.37 +/- 4.12  80.116% * 72.5341% (0.99   0.02   0.02) =  91.409%  kept
          HB3   TRP   49 - QE    PHE   95  14.05 +/- 2.21  19.884% * 27.4659% (0.38   0.02   0.02) =   8.591%  kept
    Distance limit 4.74 A violated in 9 structures by 1.66 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 128 (2.43, 7.33, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.544, support = 1.16, residual support = 14.9:
        T QE    LYS+ 112 - QE    PHE   95   7.59 +/- 3.92  23.123% * 56.7585% (0.69 10.00   0.35   0.18) =  57.609%  kept
          HB    VAL  107 - QE    PHE   95   4.56 +/- 0.79  35.374% * 19.8754% (0.28  1.00   2.99  46.96) =  30.863%  kept
        T HB3   ASP-  62 - QE    PHE   95   8.97 +/- 3.72  12.261% * 11.5952% (0.57 10.00   0.09   0.02) =   6.241%  kept
          HB3   PHE   45 - QE    PHE   95   6.31 +/- 1.58  22.004% *  3.5980% (0.69  1.00   0.22   1.89) =   3.475%  kept
          HG3   MET   96 - QE    PHE   95   9.44 +/- 1.25   5.593% *  7.2443% (0.20  1.00   1.53  11.96) =   1.779%  kept
          HB3   ASP-  86 - QE    PHE   95  15.40 +/- 2.09   1.078% *  0.4519% (0.95  1.00   0.02   0.02) =   0.021%
          HG2   GLU-  29 - QE    PHE   95  21.01 +/- 2.91   0.567% *  0.4767% (1.00  1.00   0.02   0.02) =   0.012%
    Distance limit 5.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 129 (1.70, 7.33, 131.79 ppm):
    10 chemical-shift based assignments, quality = 0.733, support = 0.429, residual support = 0.329:
          QG1   ILE   56 - QE    PHE   95   5.49 +/- 3.99  31.824% * 20.3604% (0.53   0.50   0.44) =  45.625%  kept
          QD    LYS+ 106 - QE    PHE   95   8.47 +/- 1.58  12.716% * 30.6055% (1.00   0.40   0.22) =  27.404%  kept
          HB2   LEU   73 - QE    PHE   95  11.96 +/- 3.71   7.826% * 27.3089% (0.92   0.39   0.43) =  15.049%  kept
          HD2   LYS+ 111 - QE    PHE   95   9.85 +/- 2.77   8.179% * 16.7874% (0.69   0.32   0.02) =   9.668%  kept
          HG3   PRO   93 - QE    PHE   95   6.58 +/- 2.12  18.055% *  0.5754% (0.38   0.02   0.02) =   0.731%  kept
          HB3   MET   92 - QE    PHE   95   8.17 +/- 1.98   8.388% *  1.2276% (0.80   0.02   0.02) =   0.725%  kept
          QD    LYS+  99 - QE    PHE   95  13.96 +/- 1.92   4.380% *  1.5331% (1.00   0.02   0.02) =   0.473%  kept
          HB3   LYS+  99 - QE    PHE   95  14.68 +/- 2.00   4.160% *  0.6303% (0.41   0.02   0.02) =   0.185%  kept
          HB2   LEU  123 - QE    PHE   95  14.57 +/- 3.86   1.600% *  0.6303% (0.41   0.02   0.02) =   0.071%
          QD    LYS+ 102 - QE    PHE   95  15.92 +/- 2.29   2.873% *  0.3413% (0.22   0.02   0.02) =   0.069%
    Distance limit 5.15 A violated in 1 structures by 0.22 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 130 (1.17, 7.33, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.652, support = 2.68, residual support = 42.7:
          QG2   VAL  107 - QE    PHE   95   3.63 +/- 0.57  59.407% * 61.6053% (0.69  1.00   2.85  46.96) =  88.480%  kept
          QG2   THR   94 - QE    PHE   95   5.89 +/- 0.55  16.010% * 19.3856% (0.34  1.00   1.81  14.59) =   7.503%  kept
          HB3   LYS+ 112 - QE    PHE   95   8.54 +/- 3.58  16.396% *  8.3800% (0.38  1.00   0.71   0.18) =   3.322%  kept
          HG13  ILE  103 - QE    PHE   95  12.10 +/- 1.38   2.619% *  9.3764% (1.00  1.00   0.30   0.02) =   0.594%  kept
        T QB    ALA   20 - QE    PHE   95  12.50 +/- 3.07   3.824% *  0.9707% (0.15 10.00   0.02   0.02) =   0.090%
          HG2   LYS+ 121 - QE    PHE   95  13.97 +/- 4.42   1.745% *  0.2821% (0.45  1.00   0.02   0.02) =   0.012%
    Distance limit 5.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 131 (0.58, 7.33, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.891, support = 2.62, residual support = 5.32:
          QD2   LEU  115 - QE    PHE   95   4.97 +/- 4.15  33.906% * 51.6266% (0.87  1.00   3.31   7.18) =  69.768%  kept
          QD1   LEU   73 - QE    PHE   95  10.15 +/- 3.57  16.398% * 21.1121% (1.00  1.00   1.18   0.43) =  13.798%  kept
          QD1   LEU   63 - QE    PHE   95   6.66 +/- 2.73  17.418% * 18.5738% (1.00  1.00   1.04   1.62) =  12.894%  kept
          QD2   LEU   63 - QE    PHE   95   7.50 +/- 2.80  14.335% *  5.3968% (0.53  1.00   0.57   1.62) =   3.083%  kept
        T QD2   LEU   80 - QE    PHE   95  13.05 +/- 2.90   2.936% *  3.0015% (0.84 10.00   0.02   0.02) =   0.351%  kept
          QD1   LEU  104 - QE    PHE   95  10.49 +/- 2.06  10.836% *  0.2180% (0.61  1.00   0.02   0.02) =   0.094%
          QG1   VAL   83 - QE    PHE   95  12.42 +/- 1.98   4.171% *  0.0711% (0.20  1.00   0.02   0.02) =   0.012%
    Distance limit 4.72 A violated in 2 structures by 0.38 A, kept.
 
    Peak 132 (0.41, 7.33, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.344, support = 1.48, residual support = 6.99:
        T QD1   LEU  115 - QE    PHE   95   4.19 +/- 4.20  59.590% * 91.6495% (0.34 10.00   1.50   7.18) =  97.360%  kept
          QB    ALA   64 - QE    PHE   95   8.25 +/- 2.19  15.556% *  6.3927% (0.57  1.00   0.63   0.36) =   1.773%  kept
          QG1   VAL   75 - QE    PHE   95   7.67 +/- 2.32  24.854% *  1.9578% (0.20  1.00   0.55   0.02) =   0.867%  kept
    Distance limit 4.79 A violated in 2 structures by 0.42 A, kept.
 
    Peak 133 (7.62, 7.29, 132.36 ppm):
    4 chemical-shift based assignments, quality = 0.831, support = 1.12, residual support = 72.0:
      O   QE    PHE   60 - QD    PHE   60   2.23 +/- 0.00  86.856% * 95.3654% (0.84  10.0   1.11  72.41) =  99.372%  kept
          HN    LEU   63 - QD    PHE   60   4.47 +/- 0.52  12.137% *  4.3002% (0.15   1.0   2.71  10.61) =   0.626%  kept
          HD21  ASN   28 - QD    PHE   60  14.96 +/- 2.51   0.665% *  0.1496% (0.73   1.0   0.02   0.02) =   0.001%
          HZ2   TRP   87 - QD    PHE   60  15.11 +/- 2.32   0.342% *  0.1848% (0.90   1.0   0.02   0.02) =   0.001%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 134 (2.96, 7.29, 132.36 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 3.76, residual support = 72.4:
      O T HB3   PHE   60 - QD    PHE   60   2.43 +/- 0.15  89.573% * 99.7227% (0.73  10.0 10.00   3.76  72.41) =  99.995%  kept
          QE    LYS+ 106 - QD    PHE   60  12.38 +/- 2.91   3.278% *  0.0723% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          QE    LYS+  65 - QD    PHE   60   9.12 +/- 1.60   3.196% *  0.0241% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QD    PHE   60  18.20 +/- 3.10   0.532% *  0.0943% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - QD    PHE   60  11.42 +/- 2.97   1.819% *  0.0212% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   60  11.84 +/- 2.08   1.264% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    PHE   60  16.68 +/- 2.26   0.338% *  0.0468% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 138 (0.79, 7.29, 132.36 ppm):
    5 chemical-shift based assignments, quality = 0.846, support = 1.89, residual support = 2.39:
          QD2   LEU   73 - QD    PHE   60   6.91 +/- 2.58  28.782% * 46.4995% (0.84  1.00   2.64   2.22) =  50.602%  kept
          QD1   ILE   56 - QD    PHE   60   6.04 +/- 1.67  37.200% * 27.1456% (0.99  1.00   1.30   3.32) =  38.180%  kept
        T QG1   VAL   41 - QD    PHE   60   9.77 +/- 1.65  10.378% * 16.2510% (0.18 10.00   0.44   0.02) =   6.377%  kept
          HG3   LYS+ 121 - QD    PHE   60  12.90 +/- 3.09  12.723% *  9.8143% (0.69  1.00   0.68   0.02) =   4.721%  kept
          HG    LEU   31 - QD    PHE   60  13.29 +/- 2.93  10.917% *  0.2896% (0.69  1.00   0.02   0.02) =   0.120%  kept
    Distance limit 4.33 A violated in 9 structures by 1.12 A, kept.
 
    Peak 139 (0.40, 7.29, 132.36 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 1.84, residual support = 2.65:
          QB    ALA   64 - QD    PHE   60   4.20 +/- 0.88 100.000% *100.0000% (0.95   1.84   2.65) = 100.000%  kept
    Distance limit 4.25 A violated in 1 structures by 0.30 A, kept.
 
    Peak 140 (8.40, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.07, residual support = 62.2:
          HN    PHE   97 - QD    PHE   97   2.65 +/- 0.78  95.158% * 99.3227% (0.97   4.07  62.20) =  99.981%  kept
          HN    LEU  115 - QD    PHE   97  11.14 +/- 2.75   3.288% *  0.4885% (0.97   0.02   0.02) =   0.017%
          HN    ASP- 113 - QD    PHE   97  13.99 +/- 2.18   1.314% *  0.1002% (0.20   0.02   0.02) =   0.001%
          HN    ALA   12 - QD    PHE   97  24.47 +/- 3.85   0.239% *  0.0887% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 141 (3.70, 7.13, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.667, support = 0.841, residual support = 1.19:
          HA    THR  118 - QD    PHE   97   9.65 +/- 5.65  28.347% * 47.5756% (0.61   0.93   1.64) =  58.448%  kept
          HA    ILE  119 - QD    PHE   97  10.75 +/- 5.63  18.950% * 48.5509% (0.76   0.75   0.57) =  39.875%  kept
          HA    VAL   75 - QD    PHE   97  12.11 +/- 2.03  15.700% *  0.8913% (0.53   0.02   0.02) =   0.606%  kept
          HA    ALA   84 - QD    PHE   97  13.02 +/- 2.57  14.698% *  0.8246% (0.49   0.02   0.02) =   0.525%  kept
          HA2   GLY  109 - QD    PHE   97  12.19 +/- 0.70  11.812% *  0.5229% (0.31   0.02   0.02) =   0.268%  kept
          HD3   PRO   58 - QD    PHE   97  14.20 +/- 3.10   8.381% *  0.4710% (0.28   0.02   0.02) =   0.171%  kept
          HB2   TRP   49 - QD    PHE   97  19.96 +/- 2.96   2.111% *  1.1637% (0.69   0.02   0.02) =   0.106%  kept
    Distance limit 4.62 A violated in 12 structures by 2.13 A, kept.
 
    Peak 142 (2.98, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.898, support = 2.42, residual support = 60.6:
      O T HB2   PHE   97 - QD    PHE   97   2.51 +/- 0.15  70.765% * 90.1746% (0.90  10.0 10.00   2.44  62.20) =  96.904%  kept
          QE    LYS+ 106 - QD    PHE   97   6.00 +/- 1.54  21.110% *  9.6378% (0.95   1.0  1.00   2.03  11.55) =   3.090%  kept
          HB3   PHE   60 - QD    PHE   97  10.86 +/- 3.24   2.324% *  0.0805% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB3   TRP   27 - QD    PHE   97  12.87 +/- 3.02   1.514% *  0.0872% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+  99 - QD    PHE   97   7.05 +/- 0.95   4.288% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 5.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 143 (2.36, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.74, residual support = 62.2:
      O T HB3   PHE   97 - QD    PHE   97   2.41 +/- 0.15  96.060% * 99.7112% (1.00  10.0 10.00   2.74  62.20) =  99.997%  kept
          HB2   GLU- 100 - QD    PHE   97  11.21 +/- 1.05   1.091% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   58 - QD    PHE   97  14.03 +/- 3.58   1.267% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - QD    PHE   97  13.02 +/- 3.20   0.791% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - QD    PHE   97  15.01 +/- 3.04   0.792% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 144 (1.10, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.788, support = 1.72, residual support = 4.97:
          QG1   VAL  107 - QD    PHE   97   5.41 +/- 1.04  56.552% * 66.0898% (0.84   1.74   5.55) =  88.358%  kept
          HG13  ILE  119 - QD    PHE   97  10.91 +/- 4.56  14.841% * 31.6979% (0.41   1.69   0.57) =  11.121%  kept
          QG1   VAL   24 - QD    PHE   97  13.43 +/- 3.63  15.511% *  0.9110% (1.00   0.02   0.02) =   0.334%  kept
          HD3   LYS+ 112 - QD    PHE   97  14.44 +/- 2.33   5.254% *  0.8929% (0.98   0.02   0.02) =   0.111%  kept
          HB3   LEU   31 - QD    PHE   97  12.57 +/- 2.56   7.842% *  0.4084% (0.45   0.02   0.02) =   0.076%
    Distance limit 4.35 A violated in 7 structures by 1.08 A, kept.
 
    Peak 145 (1.02, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.698, support = 3.08, residual support = 15.4:
          HB2   LEU  104 - QD    PHE   97   3.99 +/- 0.79  68.229% * 60.4821% (0.69   3.30  16.99) =  90.291%  kept
          QD1   ILE  119 - QD    PHE   97   9.92 +/- 3.39   9.827% * 29.3710% (0.95   1.16   0.57) =   6.315%  kept
          QG2   VAL  108 - QD    PHE   97   7.37 +/- 0.71  15.582% *  9.8231% (0.53   0.70   0.02) =   3.349%  kept
          HB    VAL   75 - QD    PHE   97  10.80 +/- 1.80   6.362% *  0.3238% (0.61   0.02   0.02) =   0.045%
    Distance limit 4.52 A violated in 0 structures by 0.13 A, kept.
 
    Peak 146 (0.20, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.201, support = 1.25, residual support = 1.61:
          QG2   THR  118 - QD    PHE   97   6.74 +/- 5.10  56.889% * 97.3764% (0.20   1.28   1.64) =  97.999%  kept
          QG2   VAL   70 - QD    PHE   97   7.36 +/- 3.51  43.111% *  2.6236% (0.34   0.02   0.02) =   2.001%  kept
    Distance limit 4.67 A violated in 5 structures by 1.08 A, kept.
 
    Peak 147 (0.40, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.944, support = 0.02, residual support = 0.02:
          QB    ALA   64 - QD    PHE   97   9.12 +/- 2.13  70.567% * 85.0969% (1.00   0.02   0.02) =  93.193%  kept
          QB    ALA   47 - QD    PHE   97  13.25 +/- 2.27  29.433% * 14.9031% (0.18   0.02   0.02) =   6.807%  kept
    Distance limit 5.04 A violated in 19 structures by 3.50 A, eliminated.
    Peak unassigned.
 
    Peak 148 (8.40, 7.19, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 2.93, residual support = 29.5:
          HN    LEU  115 - QD    PHE   59   5.97 +/- 0.76  61.123% * 99.0657% (0.97   2.94  29.56) =  99.768%  kept
          HN    PHE   97 - QD    PHE   59  11.60 +/- 3.03  16.309% *  0.6738% (0.97   0.02   0.02) =   0.181%  kept
          HN    ASP- 113 - QD    PHE   59   8.61 +/- 1.02  21.664% *  0.1382% (0.20   0.02   0.02) =   0.049%
          HN    ALA   12 - QD    PHE   59  26.65 +/- 3.51   0.904% *  0.1223% (0.18   0.02   0.02) =   0.002%
    Distance limit 5.25 A violated in 2 structures by 0.73 A, kept.
 
    Peak 149 (4.37, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.606, support = 2.84, residual support = 54.7:
          HA    PHE   59 - QD    PHE   59   2.72 +/- 0.58  68.830% * 67.7962% (0.61   3.03  57.86) =  91.643%  kept
          HA    ILE   56 - QD    PHE   59   5.14 +/- 1.22  23.672% * 16.8006% (0.61   0.75  21.89) =   7.811%  kept
          HA    LEU  123 - QD    PHE   59   9.81 +/- 0.65   1.794% * 13.4828% (0.49   0.75   0.02) =   0.475%  kept
          HA    ASP- 113 - QD    PHE   59   8.16 +/- 1.21   4.296% *  0.7370% (1.00   0.02   0.02) =   0.062%
          HA    LYS+  99 - QD    PHE   59  16.58 +/- 2.93   0.456% *  0.5915% (0.80   0.02   0.02) =   0.005%
          HA    ASN   35 - QD    PHE   59  20.68 +/- 2.71   0.197% *  0.4778% (0.65   0.02   0.02) =   0.002%
          HA    TRP   87 - QD    PHE   59  17.98 +/- 2.98   0.754% *  0.1140% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 150 (3.69, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.986, support = 2.4, residual support = 21.7:
        T HA    ILE  119 - QD    PHE   59   4.16 +/- 0.44  68.118% * 51.2610% (1.00 10.00   2.36  24.22) =  77.990%  kept
        T HA    THR  118 - QD    PHE   59   6.75 +/- 0.61  20.270% * 48.5987% (0.95 10.00   2.54  12.80) =  22.002%  kept
          HA2   GLY  109 - QD    PHE   59  11.51 +/- 2.50   5.022% *  0.0353% (0.69  1.00   0.02   0.02) =   0.004%
          HB2   TRP   49 - QD    PHE   59  15.25 +/- 2.23   1.862% *  0.0504% (0.98  1.00   0.02   0.02) =   0.002%
          HA    ALA   84 - QD    PHE   59  16.18 +/- 2.14   1.329% *  0.0446% (0.87  1.00   0.02   0.02) =   0.001%
          HA    VAL   75 - QD    PHE   59  12.58 +/- 2.37   3.400% *  0.0102% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 5.02 A violated in 0 structures by 0.01 A, kept.
 
    Peak 151 (3.32, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 2.72, residual support = 57.8:
      O   HB2   PHE   59 - QD    PHE   59   2.54 +/- 0.15  84.522% * 98.1017% (0.97  10.0   2.73  57.86) =  99.852%  kept
          QB    PHE   55 - QD    PHE   59   7.27 +/- 1.54   7.062% *  1.6790% (0.76   1.0   0.43   0.02) =   0.143%  kept
          HB3   CYS   53 - QD    PHE   59   8.52 +/- 1.54   4.160% *  0.0456% (0.45   1.0   0.02   0.02) =   0.002%
          HD3   PRO   68 - QD    PHE   59  11.71 +/- 2.39   1.463% *  0.0698% (0.69   1.0   0.02   0.02) =   0.001%
          HD3   PRO   93 - QD    PHE   59  11.38 +/- 2.64   1.478% *  0.0658% (0.65   1.0   0.02   0.02) =   0.001%
          HD2   ARG+  54 - QD    PHE   59  11.11 +/- 1.77   1.315% *  0.0382% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 152 (3.17, 7.19, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.16, residual support = 57.9:
      O   HB3   PHE   59 - QD    PHE   59   2.47 +/- 0.18  99.267% * 99.9680% (0.97  10.0   3.16  57.86) = 100.000%  kept
          HB3   TRP   49 - QD    PHE   59  15.74 +/- 2.53   0.733% *  0.0320% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 153 (2.35, 7.19, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.906, support = 2.73, residual support = 30.2:
          HB2   PRO   58 - QD    PHE   59   4.96 +/- 1.58  53.255% * 68.3603% (0.99   2.96  39.97) =  75.339%  kept
          HB2   GLN  116 - QD    PHE   59   6.19 +/- 1.57  38.453% * 30.9164% (0.65   2.05   0.39) =  24.602%  kept
          HB3   PHE   97 - QD    PHE   59  11.59 +/- 3.68   6.887% *  0.3737% (0.80   0.02   0.02) =   0.053%
          HB2   GLU- 100 - QD    PHE   59  20.51 +/- 2.75   0.680% *  0.2456% (0.53   0.02   0.02) =   0.003%
          HG3   GLU-  25 - QD    PHE   59  23.04 +/- 4.21   0.725% *  0.1039% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.84 A violated in 0 structures by 0.01 A, kept.
 
    Peak 154 (1.72, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 2.84, residual support = 21.9:
        T QG1   ILE   56 - QD    PHE   59   3.29 +/- 0.57  75.875% * 99.5506% (0.97 10.00   2.84  21.89) =  99.971%  kept
          QD    LYS+ 106 - QD    PHE   59  11.57 +/- 2.93   8.084% *  0.2048% (0.34  1.00   0.12   0.02) =   0.022%
          HB2   LEU   73 - QD    PHE   59  13.25 +/- 3.52  12.131% *  0.0204% (0.20  1.00   0.02   0.02) =   0.003%
          HB    ILE   89 - QD    PHE   59  15.01 +/- 2.42   1.424% *  0.0826% (0.80  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  99 - QD    PHE   59  16.66 +/- 3.44   1.131% *  0.1029% (1.00  1.00   0.02   0.02) =   0.002%
          QD    LYS+  99 - QD    PHE   59  15.29 +/- 3.32   1.355% *  0.0387% (0.38  1.00   0.02   0.02) =   0.001%
    Distance limit 4.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 155 (1.44, 7.19, 131.79 ppm):
    13 chemical-shift based assignments, quality = 0.501, support = 2.44, residual support = 28.1:
          HB3   LEU  115 - QD    PHE   59   4.19 +/- 1.30  28.124% * 61.2197% (0.65   2.35  29.56) =  67.662%  kept
          HG    LEU  115 - QD    PHE   59   3.50 +/- 0.89  37.789% * 18.4774% (0.15   2.98  29.56) =  27.440%  kept
          QB    ALA   61 - QD    PHE   59   6.01 +/- 0.72   9.269% *  6.4671% (0.69   0.23   0.70) =   2.356%  kept
          QB    ALA  120 - QD    PHE   59   7.23 +/- 0.59   6.049% *  8.8122% (0.15   1.42   0.02) =   2.095%  kept
          QG    LYS+  66 - QD    PHE   59   9.04 +/- 2.54   6.907% *  0.7761% (0.97   0.02   0.02) =   0.211%  kept
          HB3   LEU   67 - QD    PHE   59  11.30 +/- 2.28   2.200% *  0.6717% (0.84   0.02   0.02) =   0.058%
          HG    LEU   67 - QD    PHE   59  11.27 +/- 2.30   2.914% *  0.4231% (0.53   0.02   0.02) =   0.048%
          QB    ALA  110 - QD    PHE   59   8.67 +/- 1.73   3.306% *  0.3605% (0.45   0.02   0.02) =   0.047%
          HG    LEU   73 - QD    PHE   59  13.46 +/- 3.55   1.424% *  0.8024% (1.00   0.02   0.02) =   0.045%
          HG    LEU   40 - QD    PHE   59  13.21 +/- 2.30   0.965% *  0.5202% (0.65   0.02   0.02) =   0.020%
          HG2   LYS+ 102 - QD    PHE   59  20.52 +/- 2.27   0.274% *  0.7761% (0.97   0.02   0.02) =   0.008%
          HG    LEU   80 - QD    PHE   59  18.66 +/- 2.81   0.372% *  0.3914% (0.49   0.02   0.02) =   0.006%
          HG12  ILE   19 - QD    PHE   59  16.56 +/- 2.07   0.408% *  0.3018% (0.38   0.02   0.02) =   0.005%
    Distance limit 5.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 156 (1.10, 7.19, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.465, support = 3.36, residual support = 21.2:
        T HG13  ILE  119 - QD    PHE   59   3.01 +/- 0.83  58.666% * 74.6732% (0.41 10.00   3.81  24.22) =  87.195%  kept
        T QG1   VAL  107 - QD    PHE   59   6.31 +/- 3.01  25.742% * 24.8857% (0.84 10.00   0.33   0.38) =  12.751%  kept
          HD3   LYS+ 112 - QD    PHE   59   7.44 +/- 2.15  13.665% *  0.1780% (0.98  1.00   0.02   1.26) =   0.048%
          QG1   VAL   24 - QD    PHE   59  15.67 +/- 3.72   1.497% *  0.1816% (1.00  1.00   0.02   0.02) =   0.005%
          HB3   LEU   31 - QD    PHE   59  18.22 +/- 3.21   0.430% *  0.0814% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 157 (0.82, 7.19, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 0.106, residual support = 0.02:
          QD2   LEU  123 - QD    PHE   59   7.41 +/- 0.98  54.118% * 65.2262% (0.98   0.10   0.02) =  78.368%  kept
          HG3   LYS+ 121 - QD    PHE   59   9.46 +/- 1.01  29.360% * 31.1434% (0.38   0.13   0.02) =  20.300%  kept
          HB3   LEU  104 - QD    PHE   59  14.24 +/- 4.22  16.522% *  3.6304% (0.28   0.02   0.02) =   1.332%  kept
    Distance limit 5.05 A violated in 12 structures by 1.91 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 158 (0.59, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.976, support = 4.45, residual support = 27.4:
          QD2   LEU  115 - QD    PHE   59   2.55 +/- 0.93  50.817% * 84.4650% (0.98   4.74  29.56) =  92.839%  kept
          QD1   LEU   63 - QD    PHE   59   4.65 +/- 1.97  24.376% * 12.9889% (0.92   0.77   0.02) =   6.848%  kept
          QD1   LEU   73 - QD    PHE   59  11.77 +/- 3.52   7.240% *  1.6557% (0.92   0.10   0.02) =   0.259%  kept
          QD2   LEU   63 - QD    PHE   59   5.52 +/- 1.92  15.582% *  0.1241% (0.34   0.02   0.02) =   0.042%
          QD1   LEU  104 - QD    PHE   59  12.00 +/- 3.53   1.444% *  0.2912% (0.80   0.02   0.02) =   0.009%
          QD2   LEU   80 - QD    PHE   59  15.65 +/- 2.35   0.266% *  0.3510% (0.97   0.02   0.02) =   0.002%
          QG1   VAL   83 - QD    PHE   59  15.71 +/- 1.51   0.276% *  0.1241% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 159 (0.43, 7.19, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.5, residual support = 29.5:
        T QD1   LEU  115 - QD    PHE   59   2.84 +/- 0.66  89.262% * 99.5262% (0.84 10.00   4.50  29.56) =  99.967%  kept
          QB    ALA   64 - QD    PHE   59   7.85 +/- 0.73   6.498% *  0.3967% (0.15  1.00   0.43   0.02) =   0.029%
          QG1   VAL   75 - QD    PHE   59   9.99 +/- 1.56   4.240% *  0.0771% (0.65  1.00   0.02   0.02) =   0.004%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 160 (4.14, 7.26, 128.86 ppm):
    8 chemical-shift based assignments, quality = 0.729, support = 1.49, residual support = 29.3:
        T HA    LEU  115 - QE    PHE   59   3.42 +/- 0.70  69.204% * 91.7374% (0.73 10.00   1.50  29.56) =  98.953%  kept
          HA    GLU- 114 - QE    PHE   59   7.23 +/- 0.67   8.830% *  7.3379% (1.00  1.00   0.87   0.02) =   1.010%  kept
        T HA    ARG+  54 - QE    PHE   59   9.86 +/- 2.02   4.739% *  0.3334% (0.20 10.00   0.02   0.02) =   0.025%
          HA    CYS   53 - QE    PHE   59   8.84 +/- 2.17  14.765% *  0.0295% (0.18  1.00   0.02   0.02) =   0.007%
          HA    ASN   28 - QE    PHE   59  19.24 +/- 3.46   0.890% *  0.1157% (0.69  1.00   0.02   0.02) =   0.002%
          HA    ALA   34 - QE    PHE   59  18.98 +/- 2.36   0.585% *  0.1461% (0.87  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - QE    PHE   59  19.98 +/- 2.22   0.454% *  0.1651% (0.98  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - QE    PHE   59  21.23 +/- 3.48   0.532% *  0.1349% (0.80  1.00   0.02   0.02) =   0.001%
    Distance limit 4.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 161 (3.88, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 1.87, residual support = 12.8:
        T HB    THR  118 - QE    PHE   59   3.28 +/- 0.64  95.850% * 99.7469% (0.95 10.00   1.87  12.80) =  99.998%  kept
          HA    ILE   89 - QE    PHE   59  15.02 +/- 3.03   1.401% *  0.0683% (0.61  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - QE    PHE   59  17.67 +/- 2.84   1.095% *  0.0505% (0.45  1.00   0.02   0.02) =   0.001%
          HB3   SER   37 - QE    PHE   59  20.31 +/- 2.86   0.804% *  0.0683% (0.61  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - QE    PHE   59  21.93 +/- 3.18   0.468% *  0.0463% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QE    PHE   59  22.02 +/- 2.27   0.382% *  0.0197% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 162 (2.42, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.917, support = 0.882, residual support = 1.22:
          QE    LYS+ 112 - QE    PHE   59   6.32 +/- 2.36  36.234% * 64.8367% (1.00   1.05   1.26) =  70.691%  kept
          HB    VAL  107 - QE    PHE   59   7.12 +/- 4.40  36.079% * 22.9984% (0.80   0.46   0.38) =  24.968%  kept
          HB3   ASP-  62 - QE    PHE   59   6.60 +/- 1.20  21.767% *  5.5641% (0.14   0.66   6.50) =   3.644%  kept
          HB3   PHE   45 - QE    PHE   59  11.24 +/- 2.25   4.496% *  4.9859% (1.00   0.08   0.02) =   0.675%  kept
          HB3   ASP-  86 - QE    PHE   59  20.20 +/- 2.58   0.600% *  0.5552% (0.45   0.02   0.02) =   0.010%
          HG2   GLU-  29 - QE    PHE   59  23.19 +/- 3.61   0.365% *  0.7511% (0.61   0.02   0.02) =   0.008%
          QG    GLN   32 - QE    PHE   59  20.86 +/- 3.08   0.458% *  0.3088% (0.25   0.02   0.02) =   0.004%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 163 (2.27, 7.26, 128.86 ppm):
    9 chemical-shift based assignments, quality = 0.73, support = 4.11, residual support = 23.9:
          HG12  ILE  119 - QE    PHE   59   2.68 +/- 0.43  91.460% * 69.8324% (0.73   4.16  24.22) =  98.521%  kept
          HB2   ASP-  44 - QE    PHE   59   9.41 +/- 2.53   3.802% * 20.3252% (0.99   0.89   0.02) =   1.192%  kept
          HB3   PHE   72 - QE    PHE   59  12.28 +/- 2.48   2.241% *  7.9756% (1.00   0.35   0.02) =   0.276%  kept
          QG    GLN   90 - QE    PHE   59  15.86 +/- 2.61   0.566% *  0.4529% (0.98   0.02   0.02) =   0.004%
          QG    GLU-  14 - QE    PHE   59  20.03 +/- 2.80   0.322% *  0.4610% (1.00   0.02   0.02) =   0.002%
          QG    GLU-  15 - QE    PHE   59  19.01 +/- 2.40   0.319% *  0.4371% (0.95   0.02   0.02) =   0.002%
          HG3   MET   92 - QE    PHE   59  13.93 +/- 2.66   0.922% *  0.1152% (0.25   0.02   0.02) =   0.002%
          HB2   GLU-  29 - QE    PHE   59  21.96 +/- 3.11   0.236% *  0.1576% (0.34   0.02   0.02) =   0.001%
          QB    MET   11 - QE    PHE   59  25.70 +/- 3.17   0.133% *  0.2431% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 164 (1.11, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.712, support = 3.84, residual support = 20.1:
          HG13  ILE  119 - QE    PHE   59   3.09 +/- 0.79  50.691% * 62.7789% (0.73   4.38  24.22) =  82.571%  kept
          QG1   VAL  107 - QE    PHE   59   5.40 +/- 3.65  37.185% * 12.9898% (0.53   1.25   0.38) =  12.533%  kept
          HD3   LYS+ 112 - QE    PHE   59   7.58 +/- 1.90   8.001% * 23.4894% (0.95   1.26   1.26) =   4.876%  kept
          QG1   VAL   24 - QE    PHE   59  16.11 +/- 4.03   1.135% *  0.3421% (0.87   0.02   0.02) =   0.010%
          QB    ALA   20 - QE    PHE   59  13.14 +/- 3.54   2.478% *  0.0984% (0.25   0.02   0.02) =   0.006%
          HB3   LEU   31 - QE    PHE   59  18.51 +/- 3.12   0.511% *  0.3014% (0.76   0.02   0.02) =   0.004%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 165 (0.60, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.847, support = 2.75, residual support = 27.8:
        T QD2   LEU  115 - QE    PHE   59   2.51 +/- 0.62  62.961% * 83.9116% (0.87 10.00   2.90  29.56) =  93.980%  kept
        T QD1   LEU   63 - QE    PHE   59   5.40 +/- 2.51  25.498% * 12.4357% (0.53 10.00   0.49   0.02) =   5.640%  kept
        T QD1   LEU   73 - QE    PHE   59  12.31 +/- 3.81   7.601% *  2.5098% (0.53 10.00   0.10   0.02) =   0.339%  kept
        T QD1   LEU  104 - QE    PHE   59  11.52 +/- 3.79   2.239% *  0.9652% (1.00 10.00   0.02   0.02) =   0.038%
          QD2   LEU   80 - QE    PHE   59  16.33 +/- 2.72   0.422% *  0.0868% (0.90  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QE    PHE   59  16.15 +/- 2.07   0.383% *  0.0739% (0.76  1.00   0.02   0.02) =   0.001%
          QG2   ILE   89 - QE    PHE   59  11.85 +/- 2.16   0.897% *  0.0169% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 166 (0.42, 7.26, 128.86 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 2.91, residual support = 28.9:
          QD1   LEU  115 - QE    PHE   59   3.12 +/- 0.79  87.336% * 81.6271% (0.45   2.96  29.56) =  97.768%  kept
          QB    ALA   64 - QE    PHE   59   8.84 +/- 1.24   8.955% * 18.0306% (0.45   0.65   0.02) =   2.214%  kept
          QG1   VAL   75 - QE    PHE   59  10.73 +/- 1.86   3.709% *  0.3424% (0.28   0.02   0.02) =   0.017%
    Distance limit 5.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 167 (0.24, 7.26, 128.86 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.28, residual support = 12.8:
          QG2   THR  118 - QE    PHE   59   2.52 +/- 0.78 100.000% *100.0000% (0.80   4.28  12.80) = 100.000%  kept
    Distance limit 4.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 168 (7.28, 7.63, 131.92 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 1.11, residual support = 72.4:
      O   QD    PHE   60 - QE    PHE   60   2.23 +/- 0.00  92.020% * 98.8868% (0.99  10.0   1.11  72.41) =  99.944%  kept
          QE    PHE   59 - QE    PHE   60   8.23 +/- 2.28   5.712% *  0.8380% (0.28   1.0   0.33  19.93) =   0.053%
          HN    LYS+  66 - QE    PHE   60   8.71 +/- 1.01   1.769% *  0.1376% (0.76   1.0   0.02   0.02) =   0.003%
          HN    LYS+  81 - QE    PHE   60  15.21 +/- 3.84   0.499% *  0.1376% (0.76   1.0   0.02   0.02) =   0.001%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 169 (2.26, 7.63, 131.92 ppm):
    10 chemical-shift based assignments, quality = 0.845, support = 2.19, residual support = 6.95:
          HB3   PHE   72 - QE    PHE   60   5.98 +/- 2.05  29.001% * 68.0465% (0.87   2.74   8.81) =  73.044%  kept
          HB2   ASP-  44 - QE    PHE   60   5.28 +/- 2.57  37.707% * 16.3966% (0.76   0.75   2.23) =  22.885%  kept
          HG12  ILE  119 - QE    PHE   60   9.89 +/- 2.24   7.660% * 13.2289% (0.98   0.47   0.02) =   3.751%  kept
          QG    GLN   90 - QE    PHE   60  14.08 +/- 3.65   4.017% *  0.5281% (0.92   0.02   0.02) =   0.079%
          QG    GLU-  14 - QE    PHE   60  15.55 +/- 3.65   4.522% *  0.4581% (0.80   0.02   0.02) =   0.077%
          QG    GLU-  15 - QE    PHE   60  14.63 +/- 3.08   4.021% *  0.3701% (0.65   0.02   0.02) =   0.055%
          HG3   MET   92 - QE    PHE   60  13.21 +/- 3.54   4.295% *  0.3239% (0.57   0.02   0.02) =   0.052%
          HB2   ASP- 105 - QE    PHE   60  12.28 +/- 3.71   6.057% *  0.1274% (0.22   0.02   0.02) =   0.029%
          HB2   GLU-  29 - QE    PHE   60  16.36 +/- 2.71   1.718% *  0.3930% (0.69   0.02   0.02) =   0.025%
          QB    MET   11 - QE    PHE   60  22.01 +/- 3.76   1.002% *  0.1274% (0.22   0.02   0.02) =   0.005%
    Distance limit 5.25 A violated in 1 structures by 0.28 A, kept.
 
    Peak 170 (1.38, 7.63, 131.92 ppm):
    14 chemical-shift based assignments, quality = 0.965, support = 1.63, residual support = 4.55:
          HB    VAL   42 - QE    PHE   60   6.32 +/- 2.62  23.009% * 51.8317% (1.00  1.00   1.86   5.57) =  73.843%  kept
          HB3   LEU   73 - QE    PHE   60   7.75 +/- 2.55   9.208% * 33.8930% (0.98  1.00   1.24   2.22) =  19.324%  kept
          HG3   LYS+  65 - QE    PHE   60   9.55 +/- 2.18   8.162% *  5.4071% (1.00  1.00   0.19   0.02) =   2.733%  kept
          HB3   LYS+  74 - QE    PHE   60   6.98 +/- 3.34  21.495% *  1.8758% (0.25  1.00   0.27   0.02) =   2.496%  kept
          HD3   LYS+ 121 - QE    PHE   60  13.22 +/- 3.75   4.813% *  2.5773% (0.22  1.00   0.42   0.02) =   0.768%  kept
        T QB    ALA   84 - QE    PHE   60  11.67 +/- 2.88   3.376% *  1.3902% (0.25 10.00   0.02   0.02) =   0.291%  kept
          HG3   LYS+ 106 - QE    PHE   60  12.13 +/- 3.31   4.512% *  0.4657% (0.84  1.00   0.02   0.02) =   0.130%  kept
          HB2   LYS+ 112 - QE    PHE   60  12.47 +/- 3.48   3.599% *  0.5147% (0.92  1.00   0.02   0.02) =   0.115%  kept
          HB3   PRO   93 - QE    PHE   60   9.58 +/- 3.44  11.311% *  0.1550% (0.28  1.00   0.02   0.02) =   0.109%  kept
          QB    LEU   98 - QE    PHE   60  11.58 +/- 2.65   3.490% *  0.2714% (0.49  1.00   0.02   0.02) =   0.059%
          QB    ALA   12 - QE    PHE   60  18.26 +/- 3.19   1.929% *  0.4261% (0.76  1.00   0.02   0.02) =   0.051%
          HG3   LYS+  33 - QE    PHE   60  14.66 +/- 3.14   1.185% *  0.5563% (1.00  1.00   0.02   0.02) =   0.041%
          HG3   LYS+ 102 - QE    PHE   60  19.08 +/- 3.65   0.675% *  0.5381% (0.97  1.00   0.02   0.02) =   0.022%
          HG    LEU   98 - QE    PHE   60  13.11 +/- 3.53   3.236% *  0.0976% (0.18  1.00   0.02   0.02) =   0.020%
    Distance limit 5.27 A violated in 1 structures by 0.25 A, kept.
 
    Peak 171 (0.81, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.226, support = 1.23, residual support = 3.18:
        T QD1   ILE   56 - QE    PHE   60   7.59 +/- 1.77  55.447% * 90.2297% (0.20 10.00   1.27   3.32) =  95.764%  kept
          QD2   LEU  123 - QE    PHE   60  11.97 +/- 2.72  23.187% *  6.8979% (0.92  1.00   0.21   0.02) =   3.061%  kept
          HG3   LYS+ 121 - QE    PHE   60  13.91 +/- 4.02  21.366% *  2.8724% (0.73  1.00   0.11   0.02) =   1.175%  kept
    Distance limit 5.50 A violated in 10 structures by 1.60 A, kept.
 
    Peak 172 (0.39, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.641, support = 1.51, residual support = 3.8:
          QB    ALA   64 - QE    PHE   60   4.36 +/- 0.99  48.346% * 59.2010% (0.84   1.20   2.65) =  60.681%  kept
          QG1   VAL   42 - QE    PHE   60   4.68 +/- 2.12  45.977% * 40.2697% (0.34   2.00   5.57) =  39.255%  kept
          QB    ALA   47 - QE    PHE   60  10.45 +/- 2.18   5.677% *  0.5293% (0.45   0.02   0.02) =   0.064%
    Distance limit 5.06 A violated in 0 structures by 0.03 A, kept.
 
    Peak 173 (2.28, 7.29, 132.36 ppm):
    9 chemical-shift based assignments, quality = 0.805, support = 2.32, residual support = 5.3:
          HB2   ASP-  44 - QD    PHE   60   5.20 +/- 2.41  39.050% * 37.7775% (0.87   1.77   2.23) =  50.093%  kept
          HB3   PHE   72 - QD    PHE   60   6.89 +/- 2.10  24.786% * 56.4327% (0.76   3.00   8.81) =  47.496%  kept
          HG12  ILE  119 - QD    PHE   60   8.14 +/- 2.06  16.634% *  3.9609% (0.34   0.47   0.02) =   2.237%  kept
          QG    GLN   90 - QD    PHE   60  14.22 +/- 3.19   4.578% *  0.3381% (0.69   0.02   0.02) =   0.053%
          QG    GLU-  15 - QD    PHE   60  15.45 +/- 2.64   2.866% *  0.4657% (0.95   0.02   0.02) =   0.045%
          QG    GLU-  14 - QD    PHE   60  16.40 +/- 3.32   2.625% *  0.4112% (0.84   0.02   0.02) =   0.037%
          HG2   MET   92 - QD    PHE   60  12.91 +/- 3.40   6.921% *  0.0862% (0.18   0.02   0.02) =   0.020%
          QB    MET   11 - QD    PHE   60  22.73 +/- 3.30   0.881% *  0.4415% (0.90   0.02   0.02) =   0.013%
          HG3   GLU-  36 - QD    PHE   60  19.65 +/- 3.02   1.658% *  0.0862% (0.18   0.02   0.02) =   0.005%
    Distance limit 5.32 A violated in 1 structures by 0.30 A, kept.
 
    Peak 174 (6.98, 6.69, 132.41 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.13, residual support = 90.1:
      O   QE    PHE   72 - QD    PHE   72   2.23 +/- 0.00  98.365% * 99.8968% (0.87  10.0   3.13  90.14) =  99.999%  kept
          HD22  ASN   28 - QD    PHE   72  10.78 +/- 1.36   1.048% *  0.0745% (0.65   1.0   0.02   0.02) =   0.001%
          HN    ALA   47 - QD    PHE   72  12.77 +/- 1.32   0.587% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 175 (7.30, 6.69, 132.41 ppm):
    5 chemical-shift based assignments, quality = 0.718, support = 3.37, residual support = 8.01:
          QD    PHE   60 - QD    PHE   72   5.19 +/- 1.36  46.473% * 83.7686% (0.76   3.60   8.81) =  90.872%  kept
          HE3   TRP   27 - QD    PHE   72   6.42 +/- 1.18  28.625% *  9.0489% (0.25   1.19   0.02) =   6.046%  kept
          HN    LYS+  66 - QD    PHE   72   7.11 +/- 0.77  20.172% *  6.4590% (0.28   0.76   0.14) =   3.041%  kept
          HN    LYS+  81 - QD    PHE   72  14.80 +/- 2.48   2.428% *  0.6031% (0.99   0.02   0.02) =   0.034%
          QD    PHE   55 - QD    PHE   72  14.78 +/- 1.92   2.302% *  0.1204% (0.20   0.02   0.02) =   0.006%
    Distance limit 4.52 A violated in 0 structures by 0.30 A, kept.
 
    Peak 176 (7.60, 6.69, 132.41 ppm):
    7 chemical-shift based assignments, quality = 0.401, support = 1.85, residual support = 11.2:
          QE    PHE   60 - QD    PHE   72   4.36 +/- 1.54  56.748% * 34.3256% (0.18   2.52   8.81) =  63.605%  kept
          HN    LEU   63 - QD    PHE   72   6.74 +/- 0.83  21.307% * 46.3069% (0.80   0.74  17.37) =  32.218%  kept
          HZ2   TRP   87 - QD    PHE   72  12.26 +/- 3.05   7.197% * 11.0302% (0.73   0.20   0.02) =   2.592%  kept
          HD21  ASN   28 - QD    PHE   72  11.51 +/- 1.50   6.858% *  6.3101% (0.90   0.09   0.02) =   1.413%  kept
          HN    ILE   56 - QD    PHE   72  13.80 +/- 1.65   2.529% *  1.0678% (0.69   0.02   0.02) =   0.088%
          HN    ALA   84 - QD    PHE   72  13.91 +/- 2.16   3.208% *  0.4798% (0.31   0.02   0.02) =   0.050%
          HN    LYS+ 111 - QD    PHE   72  16.30 +/- 2.11   2.154% *  0.4798% (0.31   0.02   0.02) =   0.034%
    Distance limit 5.21 A violated in 1 structures by 0.18 A, kept.
 
    Peak 177 (9.36, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.61, residual support = 90.1:
          HN    PHE   72 - QD    PHE   72   2.49 +/- 0.53  98.564% * 99.8232% (0.98   5.61  90.14) =  99.997%  kept
          HN    LEU  104 - QD    PHE   72  12.24 +/- 2.69   1.436% *  0.1768% (0.49   0.02   0.02) =   0.003%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 178 (6.70, 6.99, 130.46 ppm):
    3 chemical-shift based assignments, quality = 0.729, support = 1.98, residual support = 90.1:
      O T HZ    PHE   72 - QE    PHE   72   2.18 +/- 0.00  50.497% * 52.6465% (0.76  10.0 10.00   1.00  90.14) =  54.254%  kept
      O T QD    PHE   72 - QE    PHE   72   2.23 +/- 0.00  47.370% * 47.3200% (0.69  10.0 10.00   3.13  90.14) =  45.744%  kept
          QE    PHE   45 - QE    PHE   72   8.40 +/- 1.97   2.133% *  0.0335% (0.49   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 179 (7.30, 6.99, 130.46 ppm):
    5 chemical-shift based assignments, quality = 0.674, support = 1.09, residual support = 7.23:
          QD    PHE   60 - QE    PHE   72   4.57 +/- 1.57  48.129% * 69.5377% (0.76   1.16   8.81) =  81.793%  kept
          HN    LYS+  66 - QE    PHE   72   5.39 +/- 0.74  30.520% * 17.7478% (0.28   0.82   0.14) =  13.238%  kept
          HE3   TRP   27 - QE    PHE   72   7.98 +/- 1.79  18.506% * 10.8547% (0.25   0.56   0.02) =   4.909%  kept
          HN    LYS+  81 - QE    PHE   72  14.87 +/- 1.77   1.243% *  1.5502% (0.99   0.02   0.02) =   0.047%
          QD    PHE   55 - QE    PHE   72  14.00 +/- 1.81   1.601% *  0.3095% (0.20   0.02   0.02) =   0.012%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 180 (6.99, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 1.0, residual support = 90.1:
      O   QE    PHE   72 - HZ    PHE   72   2.18 +/- 0.00  98.463% * 99.8250% (1.00  10.0   1.00  90.14) =  99.999%  kept
          HD22  ASN   28 - HZ    PHE   72  14.53 +/- 2.80   1.001% *  0.0618% (0.31   1.0   0.02   0.02) =   0.001%
          HN    ALA   47 - HZ    PHE   72  13.87 +/- 2.67   0.536% *  0.1133% (0.57   1.0   0.02   0.02) =   0.001%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 181 (5.29, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.67, residual support = 90.1:
          HA    PHE   72 - QD    PHE   72   3.61 +/- 0.26  95.209% * 99.8373% (0.90   4.67  90.14) =  99.992%  kept
          HA    MET   96 - QD    PHE   72  10.56 +/- 1.69   4.791% *  0.1627% (0.34   0.02   0.02) =   0.008%
    Distance limit 5.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 182 (4.83, 6.69, 132.41 ppm):
    5 chemical-shift based assignments, quality = 0.539, support = 0.02, residual support = 0.02:
          HA    THR   23 - QD    PHE   72  11.83 +/- 1.26  19.369% * 28.8048% (0.65   0.02   0.02) =  33.320%  kept
          HA    PHE   45 - QD    PHE   72   8.80 +/- 1.40  42.705% *  9.9133% (0.22   0.02   0.02) =  25.283%  kept
          HA    ASP-  78 - QD    PHE   72  14.33 +/- 0.74  10.016% * 41.1037% (0.92   0.02   0.02) =  24.586%  kept
          HA    LEU   80 - QD    PHE   72  13.78 +/- 2.60  13.936% * 12.3802% (0.28   0.02   0.02) =  10.304%  kept
          HB    THR   23 - QD    PHE   72  13.09 +/- 1.24  13.973% *  7.7981% (0.18   0.02   0.02) =   6.507%  kept
    Distance limit 5.17 A violated in 20 structures by 2.86 A, eliminated.
    Peak unassigned.
 
    Peak 183 (2.85, 6.69, 132.41 ppm):
    4 chemical-shift based assignments, quality = 0.659, support = 3.94, residual support = 62.7:
        T HA    ALA   64 - QD    PHE   72   3.61 +/- 0.55  26.643% * 82.2895% (0.92   1.0 10.00   3.58  46.98) =  63.539%  kept
      O T HB2   PHE   72 - QD    PHE   72   2.39 +/- 0.12  71.311% * 17.6413% (0.20  10.0 10.00   4.57  90.14) =  36.459%  kept
          HB3   ASN   35 - QD    PHE   72  12.95 +/- 2.22   0.885% *  0.0469% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  66 - QD    PHE   72   9.89 +/- 1.32   1.161% *  0.0222% (0.25   1.0  1.00   0.02   0.14) =   0.001%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 184 (2.27, 6.69, 132.41 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.85, residual support = 90.1:
      O T HB3   PHE   72 - QD    PHE   72   2.50 +/- 0.15  75.754% * 99.4111% (0.98  10.0 10.00   4.85  90.14) =  99.971%  kept
          HB2   ASP-  44 - QD    PHE   72   5.28 +/- 1.46  19.322% *  0.0936% (0.92   1.0  1.00   0.02   0.02) =   0.024%
          QG    GLU-  15 - QD    PHE   72  11.18 +/- 2.33   1.122% *  0.0847% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - QD    PHE   72  12.24 +/- 2.13   1.052% *  0.0880% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - QD    PHE   72  12.89 +/- 2.65   0.760% *  0.0959% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - QD    PHE   72  14.48 +/- 2.45   0.592% *  0.1012% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QD    PHE   72  12.99 +/- 1.30   0.642% *  0.0494% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD    PHE   72  15.67 +/- 2.48   0.546% *  0.0381% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   72  18.71 +/- 2.72   0.211% *  0.0381% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 185 (1.39, 6.69, 132.41 ppm):
    12 chemical-shift based assignments, quality = 0.759, support = 1.91, residual support = 13.8:
        T HB    VAL   42 - QD    PHE   72   4.39 +/- 1.33  35.630% * 52.0319% (0.80 10.00   0.74   3.84) =  64.473%  kept
          HB3   LEU   73 - QD    PHE   72   5.00 +/- 0.80  24.599% * 29.7325% (0.73  1.00   4.66  44.07) =  25.435%  kept
          HB3   LYS+  74 - QD    PHE   72   5.75 +/- 1.51  21.544% * 12.6621% (0.57  1.00   2.55   1.41) =   9.487%  kept
          HG3   LYS+  65 - QD    PHE   72   8.59 +/- 0.78   4.061% *  3.6697% (0.80  1.00   0.52   0.02) =   0.518%  kept
        T HB2   LYS+ 112 - QD    PHE   72  16.30 +/- 2.80   0.825% *  1.0658% (0.61 10.00   0.02   0.02) =   0.031%
          QB    LEU   98 - QD    PHE   72   9.94 +/- 2.49   3.358% *  0.1468% (0.84  1.00   0.02   0.02) =   0.017%
          HG3   LYS+  33 - QD    PHE   72  10.56 +/- 2.10   3.116% *  0.1524% (0.87  1.00   0.02   0.02) =   0.017%
          HG3   LYS+ 106 - QD    PHE   72  12.30 +/- 2.21   1.967% *  0.0855% (0.49  1.00   0.02   0.02) =   0.006%
          QB    ALA   12 - QD    PHE   72  15.22 +/- 2.04   0.879% *  0.1742% (0.99  1.00   0.02   0.02) =   0.005%
          HD3   LYS+ 121 - QD    PHE   72  13.87 +/- 3.62   1.582% *  0.0925% (0.53  1.00   0.02   0.02) =   0.005%
          HB2   LEU   80 - QD    PHE   72  12.60 +/- 2.88   1.873% *  0.0660% (0.38  1.00   0.02   0.02) =   0.004%
          HG3   LYS+ 102 - QD    PHE   72  17.31 +/- 3.48   0.568% *  0.1207% (0.69  1.00   0.02   0.02) =   0.002%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 186 (1.00, 6.69, 132.41 ppm):
    8 chemical-shift based assignments, quality = 0.472, support = 1.52, residual support = 25.3:
        T QD1   LEU   67 - QD    PHE   72   3.49 +/- 0.94  42.242% * 75.2743% (0.41 10.00   1.50  28.53) =  88.085%  kept
          HB    VAL   75 - QD    PHE   72   4.86 +/- 0.71  19.537% * 20.3699% (0.98  1.00   1.70   1.49) =  11.025%  kept
          HG3   LYS+  74 - QD    PHE   72   7.12 +/- 1.28   8.787% *  2.7881% (0.22  1.00   1.03   1.41) =   0.679%  kept
        T QD1   ILE  119 - QD    PHE   72  10.26 +/- 2.03   4.006% *  1.2844% (0.53 10.00   0.02   0.02) =   0.143%  kept
          QD2   LEU   40 - QD    PHE   72   5.45 +/- 1.07  18.678% *  0.1095% (0.45  1.00   0.02   0.02) =   0.057%
          QG2   ILE  103 - QD    PHE   72  10.80 +/- 2.43   3.664% *  0.0754% (0.31  1.00   0.02   0.02) =   0.008%
          HB2   LEU  104 - QD    PHE   72  11.98 +/- 2.82   1.914% *  0.0609% (0.25  1.00   0.02   0.02) =   0.003%
          QG2   VAL  108 - QD    PHE   72  13.00 +/- 1.54   1.171% *  0.0377% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 5.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 187 (0.79, 6.69, 132.41 ppm):
    6 chemical-shift based assignments, quality = 0.934, support = 6.5, residual support = 43.4:
          QD2   LEU   73 - QD    PHE   72   3.73 +/- 0.77  47.508% * 95.8721% (0.95   6.59  44.07) =  98.366%  kept
          QG1   VAL   43 - QD    PHE   72   5.94 +/- 1.66  21.842% *  2.3588% (0.15   0.99   0.02) =   1.113%  kept
          QG1   VAL   41 - QD    PHE   72   5.62 +/- 1.60  20.640% *  1.0458% (0.28   0.24   0.02) =   0.466%  kept
          HG    LEU   31 - QD    PHE   72   9.08 +/- 1.88   4.564% *  0.2568% (0.84   0.02   0.02) =   0.025%
          QD1   ILE   56 - QD    PHE   72  10.66 +/- 1.71   3.491% *  0.3047% (0.99   0.02   0.02) =   0.023%
          HG3   LYS+ 121 - QD    PHE   72  14.58 +/- 3.57   1.955% *  0.1618% (0.53   0.02   0.02) =   0.007%
    Distance limit 5.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 188 (0.41, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 5.77, residual support = 47.0:
        T QB    ALA   64 - QD    PHE   72   2.82 +/- 0.28  96.847% * 99.9781% (0.80 10.00   5.77  46.98) =  99.999%  kept
          QD1   LEU  115 - QD    PHE   72  10.33 +/- 1.70   3.153% *  0.0219% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 189 (0.20, 6.69, 132.41 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 3.75, residual support = 46.5:
        T QG2   VAL   70 - QD    PHE   72   2.19 +/- 0.57 100.000% *100.0000% (0.65 10.00   3.75  46.47) = 100.000%  kept
    Distance limit 4.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 190 (2.86, 6.99, 130.46 ppm):
    3 chemical-shift based assignments, quality = 0.378, support = 4.09, residual support = 46.7:
        T HA    ALA   64 - QE    PHE   72   2.32 +/- 0.39  94.032% * 90.7165% (0.38 10.00   4.11  46.98) =  99.471%  kept
          QE    LYS+  66 - QE    PHE   72   8.32 +/- 1.40   4.995% *  9.0439% (0.80  1.00   0.93   0.14) =   0.527%  kept
          HB3   ASN   35 - QE    PHE   72  14.54 +/- 2.51   0.973% *  0.2396% (0.99  1.00   0.02   0.02) =   0.003%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 191 (2.21, 6.99, 130.46 ppm):
    8 chemical-shift based assignments, quality = 0.99, support = 4.3, residual support = 44.9:
        T HB    VAL   70 - QE    PHE   72   2.68 +/- 0.85  73.471% * 86.5170% (0.99 10.00   4.44  46.47) =  96.574%  kept
        T QG    GLN   17 - QE    PHE   72   9.16 +/- 3.14  16.993% * 13.2451% (0.97 10.00   0.31   0.02) =   3.420%  kept
          HB2   MET   96 - QE    PHE   72  10.05 +/- 2.27   3.293% *  0.0729% (0.84  1.00   0.02   0.02) =   0.004%
          HB3   ASP-  76 - QE    PHE   72   9.76 +/- 1.07   2.059% *  0.0269% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - QE    PHE   72  15.65 +/- 1.71   0.680% *  0.0783% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - QE    PHE   72  12.72 +/- 2.38   1.546% *  0.0135% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QE    PHE   72  13.86 +/- 2.27   1.399% *  0.0135% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    PHE   72  16.06 +/- 3.14   0.559% *  0.0328% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 192 (1.99, 6.99, 130.46 ppm):
    10 chemical-shift based assignments, quality = 0.455, support = 3.12, residual support = 27.8:
        T HB2   LEU   67 - QE    PHE   72   3.38 +/- 0.79  49.657% * 85.2994% (0.45 10.00   3.17  28.53) =  97.440%  kept
          HG2   PRO   68 - QE    PHE   72   7.64 +/- 1.33   7.623% * 11.3175% (0.80  1.00   1.49   0.33) =   1.985%  kept
          HB    VAL   18 - QE    PHE   72   6.62 +/- 3.41  25.434% *  0.6302% (0.22  1.00   0.30   0.02) =   0.369%  kept
          HB    ILE   19 - QE    PHE   72   8.74 +/- 1.62   3.460% *  2.1805% (0.73  1.00   0.32   0.02) =   0.174%  kept
          QB    GLU- 114 - QE    PHE   72  13.92 +/- 2.95   4.546% *  0.1231% (0.65  1.00   0.02   0.02) =   0.013%
          HB2   LEU  115 - QE    PHE   72  12.76 +/- 2.10   3.135% *  0.1589% (0.84  1.00   0.02   0.02) =   0.011%
          HG3   PRO   58 - QE    PHE   72  12.87 +/- 1.43   1.121% *  0.1650% (0.87  1.00   0.02   0.02) =   0.004%
          HB2   GLN   17 - QE    PHE   72  10.16 +/- 2.67   2.913% *  0.0333% (0.18  1.00   0.02   0.02) =   0.002%
          QB    GLU-  15 - QE    PHE   72  12.21 +/- 2.39   1.485% *  0.0333% (0.18  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - QE    PHE   72  15.99 +/- 1.68   0.628% *  0.0587% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 4.24 A violated in 0 structures by 0.04 A, kept.
 
    Peak 193 (1.41, 6.99, 130.46 ppm):
    11 chemical-shift based assignments, quality = 0.512, support = 2.5, residual support = 19.2:
          HB3   LEU   67 - QE    PHE   72   3.26 +/- 1.15  43.718% * 39.0785% (0.38   3.14  28.53) =  65.968%  kept
          HB3   LYS+  74 - QE    PHE   72   6.01 +/- 1.69  16.540% * 41.6452% (0.90   1.40   1.41) =  26.597%  kept
          QG    LYS+  66 - QE    PHE   72   6.82 +/- 1.26  13.992% *  8.6020% (0.22   1.16   0.14) =   4.647%  kept
          QB    ALA   61 - QE    PHE   72   5.89 +/- 1.31  15.947% *  3.6469% (0.53   0.21   0.02) =   2.246%  kept
          HG12  ILE   19 - QE    PHE   72   9.02 +/- 2.00   2.527% *  4.0895% (0.84   0.15   0.02) =   0.399%  kept
          QB    ALA  110 - QE    PHE   72  13.38 +/- 2.53   1.790% *  0.5072% (0.76   0.02   0.02) =   0.035%
          HD3   LYS+ 121 - QE    PHE   72  13.52 +/- 3.64   1.296% *  0.6126% (0.92   0.02   0.02) =   0.031%
          QB    LEU   98 - QE    PHE   72  10.82 +/- 2.43   1.748% *  0.4293% (0.65   0.02   0.02) =   0.029%
          HB2   LEU   80 - QE    PHE   72  12.89 +/- 2.39   1.022% *  0.6578% (0.99   0.02   0.02) =   0.026%
          HG    LEU   80 - QE    PHE   72  13.49 +/- 3.35   1.015% *  0.4819% (0.73   0.02   0.02) =   0.019%
          QB    ALA   12 - QE    PHE   72  15.81 +/- 1.98   0.406% *  0.2491% (0.38   0.02   0.02) =   0.004%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 194 (1.00, 6.99, 130.46 ppm):
    8 chemical-shift based assignments, quality = 0.435, support = 3.87, residual support = 27.3:
        T QD1   LEU   67 - QE    PHE   72   2.39 +/- 0.54  64.667% * 83.9301% (0.41 10.00   3.99  28.53) =  95.503%  kept
          HB    VAL   75 - QE    PHE   72   4.43 +/- 0.58  18.145% * 13.6197% (0.98  1.00   1.36   1.49) =   4.349%  kept
          HG3   LYS+  74 - QE    PHE   72   6.77 +/- 1.67   5.031% *  1.1391% (0.22  1.00   0.50   1.41) =   0.101%  kept
        T QD1   ILE  119 - QE    PHE   72   9.43 +/- 1.76   1.812% *  1.0741% (0.53 10.00   0.02   0.02) =   0.034%
          QD2   LEU   40 - QE    PHE   72   6.35 +/- 1.08   5.168% *  0.0915% (0.45  1.00   0.02   0.02) =   0.008%
          QG2   ILE  103 - QE    PHE   72  11.26 +/- 2.64   3.082% *  0.0630% (0.31  1.00   0.02   0.02) =   0.003%
          HB2   LEU  104 - QE    PHE   72  12.42 +/- 3.11   1.399% *  0.0509% (0.25  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - QE    PHE   72  12.92 +/- 2.21   0.696% *  0.0315% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 196 (0.89, 6.99, 130.46 ppm):
    5 chemical-shift based assignments, quality = 0.572, support = 4.48, residual support = 25.1:
          HB3   LEU   63 - QE    PHE   72   4.26 +/- 1.44  27.013% * 78.0887% (0.73   4.45  17.37) =  71.842%  kept
          QG1   VAL   70 - QE    PHE   72   3.14 +/- 0.88  39.734% * 20.0032% (0.18   4.72  46.47) =  27.070%  kept
          QG1   VAL   18 - QE    PHE   72   5.18 +/- 2.61  23.595% *  1.2795% (0.25   0.21   0.02) =   1.028%  kept
          QD1   LEU   40 - QE    PHE   72   5.43 +/- 0.77   8.680% *  0.1493% (0.31   0.02   0.02) =   0.044%
          QG1   VAL  108 - QE    PHE   72  14.02 +/- 2.57   0.979% *  0.4793% (0.99   0.02   0.02) =   0.016%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 197 (0.58, 6.99, 130.46 ppm):
    7 chemical-shift based assignments, quality = 0.86, support = 3.71, residual support = 20.1:
          QD1   LEU   63 - QE    PHE   72   4.30 +/- 0.87  33.963% * 38.1621% (0.98   3.60  17.37) =  49.062%  kept
          QD2   LEU   63 - QE    PHE   72   4.22 +/- 0.99  35.681% * 30.1057% (0.69   4.05  17.37) =  40.662%  kept
          QD1   LEU   73 - QE    PHE   72   7.01 +/- 0.72   8.606% * 31.1151% (0.98   2.93  44.07) =  10.137%  kept
          QG2   VAL   41 - QE    PHE   72   6.95 +/- 1.25  10.276% *  0.2144% (0.18   0.11   0.02) =   0.083%
          QD2   LEU   80 - QE    PHE   72  11.14 +/- 2.66   3.552% *  0.1486% (0.69   0.02   0.02) =   0.020%
          QD1   LEU  104 - QE    PHE   72  10.34 +/- 2.70   4.917% *  0.0970% (0.45   0.02   0.02) =   0.018%
          QD2   LEU  115 - QE    PHE   72   9.77 +/- 1.52   3.005% *  0.1571% (0.73   0.02   0.02) =   0.018%
    Distance limit 4.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 198 (0.38, 6.99, 130.46 ppm):
    4 chemical-shift based assignments, quality = 0.685, support = 5.08, residual support = 46.6:
          QB    ALA   64 - QE    PHE   72   2.43 +/- 0.53  69.754% * 97.6097% (0.69   5.13  46.98) =  99.171%  kept
          QG1   VAL   42 - QE    PHE   72   4.48 +/- 1.73  29.143% *  1.9442% (0.49   0.14   3.84) =   0.825%  kept
          QB    ALA   47 - QE    PHE   72  11.81 +/- 1.64   0.669% *  0.3363% (0.61   0.02   0.02) =   0.003%
          HG2   LYS+ 112 - QE    PHE   72  15.09 +/- 2.72   0.434% *  0.1097% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 199 (0.19, 6.99, 130.46 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 5.35, residual support = 46.5:
        T QG2   VAL   70 - QE    PHE   72   2.85 +/- 0.44 100.000% *100.0000% (0.90 10.00   5.35  46.47) = 100.000%  kept
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 200 (2.85, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.646, support = 2.95, residual support = 46.7:
        T HA    ALA   64 - HZ    PHE   72   3.01 +/- 0.72  81.394% * 96.7514% (0.65 10.00   2.97  46.98) =  99.314%  kept
          QE    LYS+  66 - HZ    PHE   72   8.77 +/- 1.72  17.374% *  3.1237% (0.53  1.00   0.79   0.14) =   0.684%  kept
          HB3   ASN   35 - HZ    PHE   72  17.16 +/- 3.13   1.232% *  0.1249% (0.84  1.00   0.02   0.02) =   0.002%
    Distance limit 5.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 201 (2.20, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 3.26, residual support = 45.9:
        T HB    VAL   70 - HZ    PHE   72   4.68 +/- 0.96  66.387% * 95.5147% (0.92 10.00   3.30  46.47) =  98.759%  kept
        T QG    GLN   17 - HZ    PHE   72  10.81 +/- 3.53  19.910% *  3.7829% (0.97 10.00   0.08   0.02) =   1.173%  kept
        T HB2   MET   96 - HZ    PHE   72  11.98 +/- 2.81   7.404% *  0.5444% (0.53 10.00   0.02   0.02) =   0.063%
          HB2   GLU-  25 - HZ    PHE   72  18.45 +/- 2.24   1.457% *  0.1032% (1.00  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HZ    PHE   72  16.45 +/- 2.85   3.484% *  0.0388% (0.38  1.00   0.02   0.02) =   0.002%
          HG2   GLU- 100 - HZ    PHE   72  18.76 +/- 3.52   1.358% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 5.01 A violated in 0 structures by 0.08 A, kept.
 
    Peak 202 (1.99, 6.71, 127.90 ppm):
    10 chemical-shift based assignments, quality = 0.457, support = 3.0, residual support = 27.7:
        T HB2   LEU   67 - HZ    PHE   72   4.70 +/- 1.09  41.558% * 84.4919% (0.45 10.00   3.06  28.53) =  96.980%  kept
          HG2   PRO   68 - HZ    PHE   72   8.98 +/- 1.72   8.153% * 10.7192% (0.80  1.00   1.42   0.33) =   2.414%  kept
          HB    ILE   19 - HZ    PHE   72  10.68 +/- 1.73   3.854% *  3.3837% (0.73  1.00   0.49   0.02) =   0.360%  kept
          HB    VAL   18 - HZ    PHE   72   7.93 +/- 3.97  27.564% *  0.1680% (0.22  1.00   0.08   0.02) =   0.128%  kept
          HB2   GLN   17 - HZ    PHE   72  12.03 +/- 2.98   3.282% *  0.7033% (0.18  1.00   0.43   0.02) =   0.064%
          HB2   LEU  115 - HZ    PHE   72  14.02 +/- 2.74   5.202% *  0.1574% (0.84  1.00   0.02   0.02) =   0.023%
          QB    GLU- 114 - HZ    PHE   72  15.43 +/- 3.66   5.854% *  0.1219% (0.65  1.00   0.02   0.02) =   0.020%
          HG3   PRO   58 - HZ    PHE   72  14.13 +/- 2.03   2.037% *  0.1635% (0.87  1.00   0.02   0.02) =   0.009%
          QB    GLU-  15 - HZ    PHE   72  14.45 +/- 2.43   1.817% *  0.0330% (0.18  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HZ    PHE   72  18.82 +/- 2.23   0.678% *  0.0582% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 4.88 A violated in 1 structures by 0.17 A, kept.
 
    Peak 203 (1.41, 6.71, 127.90 ppm):
    11 chemical-shift based assignments, quality = 0.52, support = 2.39, residual support = 19.3:
          HB3   LEU   67 - HZ    PHE   72   4.43 +/- 1.36  39.956% * 39.8958% (0.38   3.00  28.53) =  66.112%  kept
          HB3   LYS+  74 - HZ    PHE   72   7.75 +/- 2.18  16.400% * 41.6321% (0.90   1.31   1.41) =  28.317%  kept
          QG    LYS+  66 - HZ    PHE   72   7.18 +/- 1.38  16.360% *  6.2643% (0.22   0.79   0.14) =   4.250%  kept
          HG12  ILE   19 - HZ    PHE   72  10.98 +/- 2.12   2.425% *  8.6972% (0.84   0.29   0.02) =   0.875%  kept
          QB    ALA   61 - HZ    PHE   72   6.68 +/- 1.49  16.116% *  0.3729% (0.53   0.02   0.02) =   0.249%  kept
          HD3   LYS+ 121 - HZ    PHE   72  15.29 +/- 4.11   1.778% *  0.6543% (0.92   0.02   0.02) =   0.048%
          QB    ALA  110 - HZ    PHE   72  14.91 +/- 3.25   2.085% *  0.5417% (0.76   0.02   0.02) =   0.047%
          QB    LEU   98 - HZ    PHE   72  12.80 +/- 2.81   2.165% *  0.4585% (0.65   0.02   0.02) =   0.041%
          HB2   LEU   80 - HZ    PHE   72  15.25 +/- 2.44   1.045% *  0.7025% (0.99   0.02   0.02) =   0.030%
          HG    LEU   80 - HZ    PHE   72  15.93 +/- 3.38   1.155% *  0.5147% (0.73   0.02   0.02) =   0.025%
          QB    ALA   12 - HZ    PHE   72  18.21 +/- 2.27   0.514% *  0.2660% (0.38   0.02   0.02) =   0.006%
    Distance limit 4.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 204 (1.00, 6.71, 127.90 ppm):
    8 chemical-shift based assignments, quality = 0.534, support = 3.07, residual support = 22.6:
        T QD1   LEU   67 - HZ    PHE   72   3.27 +/- 0.49  61.153% * 38.9786% (0.41 10.00   3.58  28.53) =  78.055%  kept
        T HB    VAL   75 - HZ    PHE   72   6.27 +/- 0.73  11.058% * 59.9072% (0.98 10.00   1.29   1.49) =  21.693%  kept
          HG3   LYS+  74 - HZ    PHE   72   8.29 +/- 2.31  10.738% *  0.5053% (0.22  1.00   0.48   1.41) =   0.178%  kept
        T QD1   ILE  119 - HZ    PHE   72  10.24 +/- 2.13   3.673% *  0.4988% (0.53 10.00   0.02   0.02) =   0.060%
          QD2   LEU   40 - HZ    PHE   72   7.87 +/- 1.24   5.910% *  0.0425% (0.45  1.00   0.02   0.02) =   0.008%
          QG2   ILE  103 - HZ    PHE   72  13.09 +/- 3.13   4.368% *  0.0293% (0.31  1.00   0.02   0.02) =   0.004%
          HB2   LEU  104 - HZ    PHE   72  14.49 +/- 3.69   2.061% *  0.0236% (0.25  1.00   0.02   0.02) =   0.002%
          QG2   VAL  108 - HZ    PHE   72  14.68 +/- 2.93   1.038% *  0.0146% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 205 (0.88, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.807, support = 3.18, residual support = 24.0:
        T HB3   LEU   63 - HZ    PHE   72   4.56 +/- 2.26  40.065% * 68.7127% (0.95 10.00   3.34  17.37) =  75.570%  kept
        T QG1   VAL   70 - HZ    PHE   72   4.62 +/- 1.15  31.092% * 27.2619% (0.38 10.00   2.76  46.47) =  23.267%  kept
          QG1   VAL   18 - HZ    PHE   72   6.36 +/- 3.02  22.633% *  1.4668% (0.49  1.00   0.83   0.02) =   0.911%  kept
          QD1   LEU   71 - HZ    PHE   72   9.01 +/- 0.70   3.657% *  2.4836% (0.20  1.00   3.46  19.10) =   0.249%  kept
          QG1   VAL  108 - HZ    PHE   72  15.86 +/- 3.28   0.876% *  0.0607% (0.84  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HZ    PHE   72  12.48 +/- 2.66   1.677% *  0.0144% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 206 (0.58, 6.71, 127.90 ppm):
    7 chemical-shift based assignments, quality = 0.851, support = 2.65, residual support = 19.8:
          QD1   LEU   63 - HZ    PHE   72   4.78 +/- 0.96  35.625% * 35.0874% (0.98   2.47  17.37) =  47.080%  kept
          QD2   LEU   63 - HZ    PHE   72   4.61 +/- 1.28  40.010% * 28.8257% (0.69   2.90  17.37) =  43.439%  kept
          QD1   LEU   73 - HZ    PHE   72   8.89 +/- 0.76   7.027% * 35.2609% (0.98   2.48  44.07) =   9.332%  kept
          QG2   VAL   41 - HZ    PHE   72   8.63 +/- 1.31   7.920% *  0.2869% (0.18   0.11   0.02) =   0.086%
          QD2   LEU  115 - HZ    PHE   72  10.76 +/- 1.82   3.591% *  0.2103% (0.73   0.02   0.02) =   0.028%
          QD2   LEU   80 - HZ    PHE   72  13.10 +/- 2.67   2.453% *  0.1990% (0.69   0.02   0.02) =   0.018%
          QD1   LEU  104 - HZ    PHE   72  12.17 +/- 3.11   3.373% *  0.1299% (0.45   0.02   0.02) =   0.016%
    Distance limit 5.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 207 (0.19, 6.71, 127.90 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 4.63, residual support = 46.5:
        T QG2   VAL   70 - HZ    PHE   72   4.43 +/- 0.32 100.000% *100.0000% (0.90 10.00   4.63  46.47) = 100.000%  kept
    Distance limit 5.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 208 (10.56, 7.75, 128.42 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 1.87, residual support = 70.6:
      O   HE1   TRP   87 - HD1   TRP   87   2.64 +/- 0.00 100.000% *100.0000% (0.98  10.0   1.87  70.63) = 100.000%  kept
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 209 (10.56, 7.61, 114.70 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 70.6:
      O   HE1   TRP   87 - HZ2   TRP   87   2.85 +/- 0.00  99.631% * 99.9913% (0.98  10.0   1.00  70.63) = 100.000%  kept
          HE1   TRP   87 - HN    ILE   56  20.53 +/- 2.73   0.369% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 4.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 210 (7.13, 7.71, 120.66 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 70.6:
      O T HZ3   TRP   87 - HE3   TRP   87   2.49 +/- 0.00  97.992% * 99.8601% (0.98  10.0 10.00   1.00  70.63) =  99.998%  kept
          QD    PHE   97 - HE3   TRP   87  10.75 +/- 2.36   1.769% *  0.1017% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HE3   TRP   49 - HE3   TRP   87  22.31 +/- 3.57   0.238% *  0.0382% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 211 (7.61, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 1.0, residual support = 70.6:
      O   HZ2   TRP   87 - HH2   TRP   87   2.52 +/- 0.00  94.658% * 99.5607% (0.99  10.0   1.00  70.63) =  99.990%  kept
          HD21  ASN   28 - HH2   TRP   87  12.20 +/- 6.26   4.303% *  0.1969% (0.98   1.0   0.02   0.02) =   0.009%
          QE    PHE   60 - HH2   TRP   87  14.83 +/- 2.67   0.614% *  0.0978% (0.49   1.0   0.02   0.02) =   0.001%
          HN    LEU   63 - HH2   TRP   87  18.97 +/- 2.07   0.254% *  0.0826% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HH2   TRP   87  22.54 +/- 2.79   0.171% *  0.0620% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 212 (7.22, 7.61, 114.70 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 1.0, residual support = 70.6:
      O   HH2   TRP   87 - HZ2   TRP   87   2.52 +/- 0.00  90.340% * 99.7330% (0.90  10.0   1.00  70.63) =  99.999%  kept
          HN    HIS  122 - HZ2   TRP   87  23.84 +/- 3.49   0.135% *  0.1858% (0.84   1.0   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    ILE   56   5.78 +/- 0.69   8.465% *  0.0027% (0.01   1.0   0.02  21.89) =   0.000%
          HN    PHE   59 - HZ2   TRP   87  20.68 +/- 2.19   0.192% *  0.0618% (0.28   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    ILE   56  14.45 +/- 2.44   0.706% *  0.0081% (0.04   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE   56  22.54 +/- 2.79   0.163% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 213 (6.74, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.858, support = 0.743, residual support = 5.56:
          HZ2   TRP   27 - HZ2   TRP   87   9.50 +/- 7.42  46.478% * 95.4458% (0.87   0.75   5.63) =  98.739%  kept
          HZ    PHE   72 - HZ2   TRP   87  15.62 +/- 3.11  12.265% *  4.4241% (0.15   0.20   0.02) =   1.208%  kept
          HZ2   TRP   27 - HN    ILE   56  20.27 +/- 3.78  17.191% *  0.1105% (0.04   0.02   0.02) =   0.042%
          HZ    PHE   72 - HN    ILE   56  14.28 +/- 1.47  24.065% *  0.0196% (0.01   0.02   0.02) =   0.011%
    Distance limit 4.63 A violated in 11 structures by 4.87 A, kept.
 
    Peak 214 (7.35, 7.13, 121.44 ppm):
    7 chemical-shift based assignments, quality = 0.699, support = 0.02, residual support = 0.02:
          QE    PHE   95 - HZ3   TRP   87  13.51 +/- 1.81  24.188% * 10.8062% (0.49   0.02   0.02) =  19.064%  kept
          HD2   HIS   22 - HZ3   TRP   87  18.35 +/- 5.11  12.297% * 20.4937% (0.92   0.02   0.02) =  18.381%  kept
          HN    THR   23 - HZ3   TRP   87  15.53 +/- 5.01  20.566% * 11.6802% (0.53   0.02   0.02) =  17.521%  kept
          HD21  ASN   35 - HZ3   TRP   87  17.97 +/- 7.08  19.966% * 11.6802% (0.53   0.02   0.02) =  17.010%  kept
          HD1   TRP   49 - HZ3   TRP   87  21.19 +/- 3.67   9.529% * 22.0041% (0.99   0.02   0.02) =  15.293%  kept
          HN    LEU   67 - HZ3   TRP   87  20.35 +/- 3.42   7.794% * 19.9101% (0.90   0.02   0.02) =  11.318%  kept
          QD    PHE   55 - HZ3   TRP   87  21.92 +/- 2.46   5.659% *  3.4254% (0.15   0.02   0.02) =   1.414%  kept
    Distance limit 4.04 A violated in 18 structures by 6.19 A, eliminated.
    Peak unassigned.
 
    Peak 215 (8.29, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.375, support = 3.72, residual support = 22.7:
          HN    ASP-  86 - HD1   TRP   87   3.73 +/- 0.25  95.269% * 97.7118% (0.38   3.72  22.69) =  99.962%  kept
          HN    GLU-  29 - HD1   TRP   87  16.99 +/- 4.05   1.588% *  1.1203% (0.80   0.02   0.02) =   0.019%
          HN    VAL   18 - HD1   TRP   87  18.95 +/- 3.56   1.467% *  0.7361% (0.53   0.02   0.02) =   0.012%
          HN    GLN   30 - HD1   TRP   87  16.54 +/- 3.65   1.676% *  0.4318% (0.31   0.02   0.02) =   0.008%
    Distance limit 5.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 216 (-0.01, 7.23, 124.80 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.75, residual support = 1.73:
          QD1   LEU   31 - HH2   TRP   87   9.28 +/- 5.88 100.000% *100.0000% (0.80   0.75   1.73) = 100.000%  kept
    Distance limit 5.29 A violated in 11 structures by 4.44 A, kept.
 
    Peak 217 (0.56, 7.23, 124.80 ppm):
    8 chemical-shift based assignments, quality = 0.552, support = 1.5, residual support = 1.69:
          QD2   LEU   98 - HH2   TRP   87   6.97 +/- 5.05  32.863% * 58.0035% (0.53  1.00   1.87   2.27) =  72.408%  kept
          QG2   VAL   41 - HH2   TRP   87   9.16 +/- 4.70  18.389% * 24.8044% (0.73  1.00   0.58   0.24) =  17.327%  kept
          QD1   LEU   73 - HH2   TRP   87   9.78 +/- 3.54  19.901% * 12.6301% (0.45  1.00   0.48   0.02) =   9.548%  kept
          QD1   LEU   80 - HH2   TRP   87  10.15 +/- 1.62  11.029% *  0.6218% (0.53  1.00   0.02   0.02) =   0.261%  kept
        T QD2   LEU  115 - HH2   TRP   87  17.15 +/- 2.72   2.777% *  2.0697% (0.18 10.00   0.02   0.02) =   0.218%  kept
          QD2   LEU   63 - HH2   TRP   87  15.24 +/- 2.40   2.663% *  1.1584% (0.98  1.00   0.02   0.02) =   0.117%  kept
          QD2   LEU   80 - HH2   TRP   87   9.92 +/- 1.72   9.636% *  0.1823% (0.15  1.00   0.02   0.02) =   0.067%
          QD1   LEU   63 - HH2   TRP   87  15.18 +/- 2.15   2.742% *  0.5298% (0.45  1.00   0.02   0.02) =   0.055%
    Distance limit 5.12 A violated in 4 structures by 0.72 A, kept.
 
    Peak 218 (0.72, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.76, support = 0.737, residual support = 2.23:
          QD1   LEU   98 - HH2   TRP   87   7.50 +/- 4.96  43.703% * 94.3481% (0.76   0.75   2.27) =  98.177%  kept
          QD1   ILE   19 - HH2   TRP   87  13.78 +/- 3.57  18.221% *  1.8639% (0.57   0.02   0.02) =   0.809%  kept
          QD2   LEU  104 - HH2   TRP   87  11.72 +/- 4.38   8.606% *  2.3906% (0.73   0.02   0.02) =   0.490%  kept
          QG2   THR   46 - HH2   TRP   87  13.16 +/- 3.20  20.589% *  0.8209% (0.25   0.02   0.02) =   0.402%  kept
          QG2   VAL   18 - HH2   TRP   87  14.21 +/- 3.00   8.881% *  0.5766% (0.18   0.02   0.02) =   0.122%  kept
    Distance limit 4.66 A violated in 8 structures by 1.73 A, kept.
 
    Peak 220 (3.41, 7.71, 120.66 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.23, residual support = 70.6:
      O T HB2   TRP   87 - HE3   TRP   87   2.48 +/- 0.35  99.452% * 99.0099% (1.00  10.0 10.00   3.23  70.63) =  99.994%  kept
        T HB2   PHE   60 - HE3   TRP   87  17.72 +/- 2.75   0.548% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.006%
    Distance limit 5.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 221 (0.96, 7.71, 120.66 ppm):
    7 chemical-shift based assignments, quality = 0.938, support = 0.425, residual support = 0.432:
        T QD1   ILE  103 - HE3   TRP   87   7.73 +/- 4.04  36.633% * 97.3129% (0.95 10.00   0.43   0.43) =  98.960%  kept
          QG2   ILE  103 - HE3   TRP   87   8.92 +/- 3.31  20.358% *  1.4298% (0.28  1.00   0.21   0.43) =   0.808%  kept
          QG2   ILE  119 - HE3   TRP   87  19.17 +/- 2.77   5.208% *  0.4807% (1.00  1.00   0.02   0.02) =   0.069%
          HG3   LYS+  74 - HE3   TRP   87  16.50 +/- 3.53  11.678% *  0.1804% (0.38  1.00   0.02   0.02) =   0.058%
          QD2   LEU   71 - HE3   TRP   87  16.17 +/- 2.89   4.480% *  0.4169% (0.87  1.00   0.02   0.02) =   0.052%
          QD2   LEU   40 - HE3   TRP   87  12.72 +/- 3.84  15.093% *  0.0842% (0.18  1.00   0.02   0.02) =   0.035%
          QD1   LEU   67 - HE3   TRP   87  15.25 +/- 3.07   6.550% *  0.0951% (0.20  1.00   0.02   0.02) =   0.017%
    Distance limit 5.21 A violated in 8 structures by 2.35 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 222 (4.35, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.13, residual support = 70.6:
          HA    TRP   87 - HD1   TRP   87   4.28 +/- 0.12  95.352% * 99.0825% (0.80   4.13  70.63) =  99.987%  kept
          HA    PHE   59 - HD1   TRP   87  19.44 +/- 2.54   1.354% *  0.5786% (0.97   0.02   0.02) =   0.008%
          HA    LYS+  99 - HD1   TRP   87  16.17 +/- 3.37   2.455% *  0.0925% (0.15   0.02   0.02) =   0.002%
          HA    ASP- 113 - HD1   TRP   87  22.65 +/- 2.90   0.838% *  0.2465% (0.41   0.02   0.02) =   0.002%
    Distance limit 5.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 223 (3.79, 7.75, 128.42 ppm):
    5 chemical-shift based assignments, quality = 0.413, support = 4.29, residual support = 16.6:
        T HA    VAL   83 - HD1   TRP   87   4.12 +/- 0.31  75.141% * 95.9068% (0.41 10.00   4.31  16.74) =  99.465%  kept
        T HA    LYS+  38 - HD1   TRP   87  20.17 +/- 5.84  15.214% *  2.0922% (0.90 10.00   0.02   0.02) =   0.439%  kept
        T HA    VAL   24 - HD1   TRP   87  13.07 +/- 4.76   5.958% *  0.8755% (0.38 10.00   0.02   0.02) =   0.072%
        T HA    GLU- 100 - HD1   TRP   87  17.95 +/- 4.21   1.474% *  1.0459% (0.45 10.00   0.02   0.02) =   0.021%
          HD2   PRO   58 - HD1   TRP   87  20.15 +/- 3.53   2.213% *  0.0796% (0.34  1.00   0.02   0.02) =   0.002%
    Distance limit 4.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 224 (3.41, 7.75, 128.42 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.94, residual support = 70.6:
      O   HB2   TRP   87 - HD1   TRP   87   3.84 +/- 0.24  98.352% * 99.0099% (1.00  10.0  1.00   3.94  70.63) =  99.983%  kept
        T HB2   PHE   60 - HD1   TRP   87  16.77 +/- 2.85   1.648% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.017%
    Distance limit 5.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 225 (2.94, 7.75, 128.42 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.6, residual support = 22.7:
        T HB2   ASP-  86 - HD1   TRP   87   2.98 +/- 0.33  93.395% * 98.2033% (1.00 10.00   3.60  22.69) =  99.974%  kept
        T HB2   ASN   35 - HD1   TRP   87  21.45 +/- 5.62   1.801% *  0.7881% (0.80 10.00   0.02   0.02) =   0.015%
        T HB2   ASN   28 - HD1   TRP   87  16.28 +/- 4.67   0.959% *  0.8221% (0.84 10.00   0.02   0.02) =   0.009%
          QE    LYS+  33 - HD1   TRP   87  18.49 +/- 3.45   0.892% *  0.0715% (0.73  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD1   TRP   87  12.60 +/- 1.90   2.421% *  0.0219% (0.22  1.00   0.02   0.02) =   0.001%
          QE    LYS+  65 - HD1   TRP   87  19.00 +/- 3.40   0.532% *  0.0931% (0.95  1.00   0.02   0.02) =   0.001%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 226 (2.48, 7.75, 128.42 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 3.8, residual support = 70.6:
      O   HB3   TRP   87 - HD1   TRP   87   2.89 +/- 0.23  92.408% * 99.2543% (0.25  10.0   3.80  70.63) =  99.980%  kept
          HG3   MET   96 - HD1   TRP   87   9.29 +/- 2.80   4.785% *  0.2254% (0.57   1.0   0.02   0.02) =   0.012%
          HG2   GLU-  36 - HD1   TRP   87  23.78 +/- 5.50   2.161% *  0.3187% (0.80   1.0   0.02   0.02) =   0.008%
          HG3   GLN  116 - HD1   TRP   87  22.37 +/- 3.41   0.268% *  0.1229% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HD1   TRP   87  19.58 +/- 2.41   0.378% *  0.0788% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 227 (0.07, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.877, support = 3.69, residual support = 16.8:
        T QG2   VAL   83 - HD1   TRP   87   2.69 +/- 0.67  54.579% * 87.4150% (0.90 10.00   3.66  16.74) =  92.151%  kept
          QD1   ILE   89 - HD1   TRP   87   3.80 +/- 1.20  32.541% * 12.4796% (0.65  1.00   3.96  18.04) =   7.844%  kept
          QG2   VAL   43 - HD1   TRP   87   7.42 +/- 3.17  11.497% *  0.0132% (0.14  1.00   0.02   0.02) =   0.003%
          QD2   LEU   31 - HD1   TRP   87  11.78 +/- 3.68   1.383% *  0.0922% (0.95  1.00   0.02   1.73) =   0.002%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 228 (0.62, 7.75, 128.42 ppm):
    3 chemical-shift based assignments, quality = 0.913, support = 0.983, residual support = 17.8:
        T QG2   ILE   89 - HD1   TRP   87   4.58 +/- 0.73  41.625% * 88.5195% (0.95 10.00   0.89  18.04) =  85.022%  kept
          QG1   VAL   83 - HD1   TRP   87   4.01 +/- 0.69  56.820% * 11.4222% (0.73  1.00   1.50  16.74) =  14.976%  kept
          QD1   LEU  104 - HD1   TRP   87  14.32 +/- 2.35   1.554% *  0.0583% (0.28  1.00   0.02   0.02) =   0.002%
    Distance limit 5.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 229 (0.56, 7.61, 114.70 ppm):
    16 chemical-shift based assignments, quality = 0.569, support = 0.638, residual support = 1.49:
          QD2   LEU   98 - HZ2   TRP   87   7.79 +/- 4.82  20.527% * 43.5648% (0.53   0.75   2.27) =  62.167%  kept
          QG2   VAL   41 - HZ2   TRP   87   9.50 +/- 4.48  11.137% * 36.6721% (0.73   0.46   0.24) =  28.392%  kept
          QD1   LEU   73 - HZ2   TRP   87   9.47 +/- 3.27   7.319% * 13.0210% (0.45   0.26   0.02) =   6.625%  kept
          QD2   LEU  115 - HN    ILE   56   6.43 +/- 1.46  16.657% *  1.3336% (0.01   1.59   0.31) =   1.544%  kept
          QD1   LEU   80 - HZ2   TRP   87   8.11 +/- 1.59   8.847% *  1.1617% (0.53   0.02   0.02) =   0.715%  kept
          QD2   LEU   80 - HZ2   TRP   87   7.89 +/- 1.71   9.566% *  0.3407% (0.15   0.02   0.02) =   0.227%  kept
          QD2   LEU   63 - HZ2   TRP   87  15.03 +/- 2.26   1.044% *  2.1644% (0.98   0.02   0.02) =   0.157%  kept
          QD1   LEU   63 - HZ2   TRP   87  14.89 +/- 2.09   1.099% *  0.9900% (0.45   0.02   0.02) =   0.076%
          QD2   LEU   63 - HN    ILE   56  10.55 +/- 2.03   4.798% *  0.0939% (0.04   0.02   0.02) =   0.031%
          QD1   LEU   63 - HN    ILE   56   9.13 +/- 2.15   8.672% *  0.0430% (0.02   0.02   0.02) =   0.026%
          QD2   LEU  115 - HZ2   TRP   87  16.92 +/- 2.44   0.717% *  0.3867% (0.18   0.02   0.02) =   0.019%
          QD1   LEU   80 - HN    ILE   56  17.64 +/- 3.69   2.006% *  0.0504% (0.02   0.02   0.02) =   0.007%
          QD2   LEU   80 - HN    ILE   56  17.77 +/- 3.85   5.072% *  0.0148% (0.01   0.02   0.02) =   0.005%
          QD1   LEU   73 - HN    ILE   56  15.40 +/- 3.64   1.199% *  0.0430% (0.02   0.02   0.02) =   0.004%
          QG2   VAL   41 - HN    ILE   56  16.95 +/- 2.03   0.636% *  0.0696% (0.03   0.02   0.02) =   0.003%
          QD2   LEU   98 - HN    ILE   56  17.97 +/- 2.24   0.704% *  0.0504% (0.02   0.02   0.02) =   0.002%
    Distance limit 5.46 A violated in 0 structures by 0.10 A, kept.
 
    Peak 230 (0.03, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.18, support = 0.685, residual support = 1.58:
          QD1   LEU   31 - HZ2   TRP   87   9.44 +/- 6.01  32.285% * 92.4210% (0.15   0.75   1.73) =  91.133%  kept
          QG2   VAL   43 - HZ2   TRP   87   7.43 +/- 3.75  39.715% *  7.1612% (0.45   0.02   0.02) =   8.686%  kept
          QG2   VAL   43 - HN    ILE   56  13.93 +/- 2.21  14.336% *  0.3108% (0.02   0.02   0.02) =   0.136%  kept
          QD1   LEU   31 - HN    ILE   56  18.41 +/- 3.73  13.663% *  0.1070% (0.01   0.02   0.02) =   0.045%
    Distance limit 5.10 A violated in 7 structures by 1.78 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 231 (4.57, 7.11, 121.95 ppm):
    7 chemical-shift based assignments, quality = 0.754, support = 2.68, residual support = 53.7:
          HA    TRP   49 - HE3   TRP   49   4.32 +/- 0.56  46.819% * 47.3725% (0.69   3.10  84.63) =  60.477%  kept
          HA    CYS   50 - HE3   TRP   49   5.46 +/- 1.21  31.083% * 42.2700% (0.87   2.19   5.46) =  35.826%  kept
          HA    ALA   47 - HE3   TRP   49   7.72 +/- 1.33  14.179% *  9.3946% (0.76   0.55  16.20) =   3.632%  kept
          HA1   GLY  109 - HE3   TRP   49  16.29 +/- 5.01   3.150% *  0.3712% (0.84   0.02   0.02) =   0.032%
          HA    VAL  108 - HE3   TRP   49  16.82 +/- 4.47   3.873% *  0.2875% (0.65   0.02   0.02) =   0.030%
          HA    CYS   21 - HE3   TRP   49  24.16 +/- 3.66   0.336% *  0.2163% (0.49   0.02   0.02) =   0.002%
          HA    LYS+ 102 - HE3   TRP   49  28.89 +/- 5.53   0.558% *  0.0879% (0.20   0.02   0.02) =   0.001%
    Distance limit 5.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 232 (7.36, 7.11, 121.95 ppm):
    6 chemical-shift based assignments, quality = 0.997, support = 3.57, residual support = 84.6:
          HD1   TRP   49 - HE3   TRP   49   5.08 +/- 0.00  87.038% * 98.2267% (1.00   3.57  84.63) =  99.951%  kept
          HN    LEU   67 - HE3   TRP   49  20.73 +/- 4.66   4.076% *  0.4418% (0.80   0.02   0.02) =   0.021%
          QE    PHE   95 - HE3   TRP   49  13.65 +/- 2.24   5.743% *  0.2071% (0.38   0.02   0.02) =   0.014%
          HD2   HIS   22 - HE3   TRP   49  24.15 +/- 4.90   1.224% *  0.5408% (0.98   0.02   0.02) =   0.008%
          HN    THR   23 - HE3   TRP   49  22.82 +/- 3.67   1.286% *  0.2268% (0.41   0.02   0.02) =   0.003%
          HD21  ASN   35 - HE3   TRP   49  32.13 +/- 5.54   0.633% *  0.3569% (0.65   0.02   0.02) =   0.003%
    Distance limit 4.51 A violated in 0 structures by 0.58 A, kept.
 
    Peak 233 (7.34, 7.18, 125.21 ppm):
    8 chemical-shift based assignments, quality = 0.795, support = 0.02, residual support = 48.9:
          HD1   TRP   49 - HH2   TRP   49   6.66 +/- 0.00  49.921% * 16.7579% (0.84   0.02  84.63) =  57.734%  kept
          HN    LEU   67 - HH2   TRP   49  20.34 +/- 4.84  11.840% * 20.0629% (1.00   0.02   0.02) =  16.393%  kept
          QE    PHE   95 - HH2   TRP   49  12.39 +/- 2.42  11.241% * 15.3326% (0.76   0.02   0.02) =  11.895%  kept
          QD    PHE   55 - HH2   TRP   49  10.03 +/- 3.03  21.708% *  6.8436% (0.34   0.02   0.02) =  10.252%  kept
          HN    THR   23 - HH2   TRP   49  23.31 +/- 2.93   1.323% * 16.0651% (0.80   0.02   0.02) =   1.466%  kept
          HD2   HIS   22 - HH2   TRP   49  24.70 +/- 4.18   1.293% * 13.7814% (0.69   0.02   0.02) =   1.230%  kept
          HE3   TRP   27 - HH2   TRP   49  22.43 +/- 3.01   1.678% *  5.5782% (0.28   0.02   0.02) =   0.646%  kept
          HD21  ASN   35 - HH2   TRP   49  31.44 +/- 5.85   0.996% *  5.5782% (0.28   0.02   0.02) =   0.383%  kept
    Distance limit 4.41 A violated in 19 structures by 1.93 A, eliminated.
    Peak unassigned.
 
    Peak 234 (4.57, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.761, support = 4.05, residual support = 47.3:
          HA    TRP   49 - HD1   TRP   49   4.22 +/- 0.38  33.905% * 45.2240% (0.69   5.06  84.63) =  51.030%  kept
          HA    CYS   50 - HD1   TRP   49   5.06 +/- 1.05  25.361% * 41.5958% (0.87   3.68   5.46) =  35.108%  kept
          HA    ALA   47 - HD1   TRP   49   4.55 +/- 0.87  32.906% * 12.6162% (0.76   1.27  16.20) =  13.817%  kept
          HA    VAL  108 - HD1   TRP   49  15.07 +/- 4.69   5.361% *  0.1684% (0.65   0.02   0.02) =   0.030%
          HA1   GLY  109 - HD1   TRP   49  15.28 +/- 4.67   1.854% *  0.2174% (0.84   0.02   0.02) =   0.013%
          HA    CYS   21 - HD1   TRP   49  22.32 +/- 3.44   0.267% *  0.1267% (0.49   0.02   0.02) =   0.001%
          HA    LYS+ 102 - HD1   TRP   49  26.62 +/- 5.08   0.346% *  0.0515% (0.20   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 239 (9.86, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 3.85, residual support = 73.4:
          HN    PHE   95 - QD    PHE   95   3.23 +/- 0.59 100.000% *100.0000% (0.61   3.85  73.44) = 100.000%  kept
    Distance limit 4.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 240 (5.96, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.44, residual support = 73.4:
        T HA    PHE   95 - QD    PHE   95   2.63 +/- 0.47 100.000% *100.0000% (0.98 10.00   3.44  73.44) = 100.000%  kept
    Distance limit 4.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 241 (4.29, 7.02, 132.19 ppm):
    12 chemical-shift based assignments, quality = 0.894, support = 1.87, residual support = 4.15:
          HA    ASP-  44 - QD    PHE   95   4.11 +/- 1.82  58.163% * 92.7977% (0.90   1.88   4.17) =  99.502%  kept
          HA    SER   85 - QD    PHE   95  13.66 +/- 1.67   7.903% *  0.9181% (0.84   0.02   0.02) =   0.134%  kept
          HA    ILE  103 - QD    PHE   95  10.97 +/- 0.91   7.467% *  0.7982% (0.73   0.02   0.02) =   0.110%  kept
          HB    THR   77 - QD    PHE   95  11.72 +/- 2.68   5.810% *  0.9181% (0.84   0.02   0.02) =   0.098%
          HA    LEU  104 - QD    PHE   95  11.38 +/- 1.15   7.485% *  0.3056% (0.28   0.02   0.02) =   0.042%
          HA    ASP-  86 - QD    PHE   95  15.15 +/- 1.26   2.757% *  0.7982% (0.73   0.02   0.02) =   0.041%
          HA    GLU-  79 - QD    PHE   95  14.68 +/- 2.77   3.435% *  0.3750% (0.34   0.02   0.02) =   0.024%
          HA1   GLY   51 - QD    PHE   95  14.12 +/- 1.95   3.896% *  0.2175% (0.20   0.02   0.02) =   0.016%
          HA    GLU-  14 - QD    PHE   95  22.44 +/- 2.88   0.732% *  0.7111% (0.65   0.02   0.02) =   0.010%
          HA    ALA   12 - QD    PHE   95  25.95 +/- 3.55   0.534% *  0.8401% (0.76   0.02   0.02) =   0.008%
          HA    THR   39 - QD    PHE   95  15.93 +/- 2.01   1.397% *  0.3056% (0.28   0.02   0.02) =   0.008%
          HA    MET   11 - QD    PHE   95  28.13 +/- 3.97   0.421% *  1.0147% (0.92   0.02   0.02) =   0.008%
    Distance limit 4.92 A violated in 1 structures by 0.23 A, kept.
 
    Peak 242 (3.19, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 3.0, residual support = 73.4:
      O T HB2   PHE   95 - QD    PHE   95   2.41 +/- 0.14 100.000% *100.0000% (0.97  10.0 10.00   3.00  73.44) = 100.000%  kept
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 243 (2.54, 7.02, 132.19 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.31, residual support = 73.4:
      O T HB3   PHE   95 - QD    PHE   95   2.57 +/- 0.20  96.931% * 96.3284% (0.99  10.0 10.00   3.31  73.44) =  99.890%  kept
          HG2   GLN  116 - QD    PHE   95   9.65 +/- 3.42   2.820% *  3.6446% (1.00   1.0  1.00   0.75   0.02) =   0.110%  kept
          HG2   GLU-  25 - QD    PHE   95  19.87 +/- 2.33   0.249% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (2.40, 7.02, 132.19 ppm):
    5 chemical-shift based assignments, quality = 0.919, support = 3.79, residual support = 46.5:
        T HB    VAL  107 - QD    PHE   95   2.70 +/- 0.68  66.574% * 95.2426% (0.92 10.00   3.83  46.96) =  98.887%  kept
          QE    LYS+ 112 - QD    PHE   95   8.40 +/- 3.54  18.208% *  2.0541% (0.53  1.00   0.76   0.18) =   0.583%  kept
          HB3   PHE   45 - QD    PHE   95   5.79 +/- 1.10  13.197% *  2.5629% (0.53  1.00   0.94   1.89) =   0.527%  kept
          QG    GLN   32 - QD    PHE   95  18.08 +/- 2.75   1.012% *  0.0862% (0.84  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - QD    PHE   95  13.05 +/- 2.16   1.010% *  0.0543% (0.53  1.00   0.02   0.02) =   0.001%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 245 (1.36, 7.02, 132.19 ppm):
    16 chemical-shift based assignments, quality = 0.698, support = 0.724, residual support = 2.02:
          HB3   ASP-  44 - QD    PHE   95   5.38 +/- 2.24  21.564% * 22.5773% (0.76   0.75   4.17) =  39.215%  kept
          HG3   LYS+ 106 - QD    PHE   95   6.91 +/- 1.29  10.898% * 23.7958% (0.61   1.00   0.22) =  20.889%  kept
          HB2   LEU   63 - QD    PHE   95   8.25 +/- 2.72  10.140% * 20.6761% (0.65   0.81   1.62) =  16.888%  kept
          HB3   PRO   93 - QD    PHE   95   5.58 +/- 1.34  15.938% *  9.3422% (1.00   0.24   0.02) =  11.993%  kept
          HB    VAL   42 - QD    PHE   95   7.66 +/- 1.95   7.076% *  9.1182% (0.31   0.75   0.92) =   5.197%  kept
          HB3   LEU   73 - QD    PHE   95  10.84 +/- 3.36   8.181% *  5.9856% (0.38   0.40   0.43) =   3.944%  kept
          HG    LEU   98 - QD    PHE   95  10.98 +/- 1.66   2.046% *  3.8943% (0.97   0.10   0.02) =   0.642%  kept
          HG3   LYS+  65 - QD    PHE   95  12.79 +/- 3.41   5.761% *  1.2609% (0.31   0.10   0.02) =   0.585%  kept
          QB    ALA   84 - QD    PHE   95   9.73 +/- 1.72   4.364% *  0.7861% (1.00   0.02   0.02) =   0.276%  kept
          HB2   LYS+ 112 - QD    PHE   95   9.32 +/- 2.88   4.912% *  0.3835% (0.49   0.02   0.18) =   0.152%  kept
          HG2   LYS+ 111 - QD    PHE   95   9.56 +/- 2.34   5.838% *  0.2432% (0.31   0.02   0.02) =   0.114%  kept
          QB    ALA  124 - QD    PHE   95  15.92 +/- 3.23   0.592% *  0.7065% (0.90   0.02   0.02) =   0.034%
          HB3   LEU   80 - QD    PHE   95  13.79 +/- 2.73   0.913% *  0.4145% (0.53   0.02   0.02) =   0.030%
          HB2   LEU   31 - QD    PHE   95  15.81 +/- 2.23   0.922% *  0.2957% (0.38   0.02   0.02) =   0.022%
          HG3   LYS+ 102 - QD    PHE   95  16.33 +/- 1.25   0.463% *  0.3239% (0.41   0.02   0.02) =   0.012%
          HG3   LYS+  33 - QD    PHE   95  18.09 +/- 1.96   0.390% *  0.1964% (0.25   0.02   0.02) =   0.006%
    Distance limit 4.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 246 (1.15, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 4.41, residual support = 46.9:
        T QG2   VAL  107 - QD    PHE   95   2.42 +/- 0.57  94.489% * 98.6745% (0.99 10.00   4.42  46.96) =  99.962%  kept
          HG13  ILE  103 - QD    PHE   95  10.19 +/- 1.05   2.820% *  1.1907% (0.80  1.00   0.30   0.02) =   0.036%
          HG2   LYS+ 121 - QD    PHE   95  13.11 +/- 4.56   1.178% *  0.0864% (0.87  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QD    PHE   95  12.24 +/- 2.93   1.513% *  0.0485% (0.49  1.00   0.02   0.02) =   0.001%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 247 (0.59, 7.02, 132.19 ppm):
    7 chemical-shift based assignments, quality = 0.972, support = 1.44, residual support = 6.5:
        T QD2   LEU  115 - QD    PHE   95   5.33 +/- 3.56  30.345% * 82.1597% (0.99 10.00   1.41   7.18) =  88.437%  kept
          QD1   LEU   63 - QD    PHE   95   6.55 +/- 2.57  19.386% * 11.0964% (0.90  1.00   2.10   1.62) =   7.631%  kept
          QD1   LEU   73 - QD    PHE   95   9.56 +/- 3.38  16.816% *  4.3369% (0.90  1.00   0.82   0.43) =   2.587%  kept
          QD2   LEU   63 - QD    PHE   95   7.23 +/- 2.78  16.983% *  2.1489% (0.31  1.00   1.18   1.62) =   1.295%  kept
          QD1   LEU  104 - QD    PHE   95   9.27 +/- 1.40   8.984% *  0.0984% (0.84  1.00   0.02   0.02) =   0.031%
          QD2   LEU   80 - QD    PHE   95  12.68 +/- 2.72   3.191% *  0.1155% (0.98  1.00   0.02   0.02) =   0.013%
          QG1   VAL   83 - QD    PHE   95  11.72 +/- 1.79   4.295% *  0.0442% (0.38  1.00   0.02   0.02) =   0.007%
    Distance limit 5.05 A violated in 1 structures by 0.32 A, kept.
 
    Peak 248 (0.38, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.672, support = 0.745, residual support = 0.722:
        T QG1   VAL   42 - QD    PHE   95   4.62 +/- 1.69  53.308% * 45.4243% (0.65 10.00   0.75   0.92) =  73.281%  kept
        T QB    ALA   47 - QD    PHE   95   8.84 +/- 1.51  16.287% * 48.6713% (0.76 10.00   0.68   0.17) =  23.990%  kept
          QB    ALA   64 - QD    PHE   95   8.18 +/- 1.87  15.271% *  5.8466% (0.53  1.00   1.19   0.36) =   2.702%  kept
          HG2   LYS+ 112 - QD    PHE   95   9.31 +/- 3.17  15.133% *  0.0578% (0.31  1.00   0.02   0.18) =   0.026%
    Distance limit 4.77 A violated in 1 structures by 0.28 A, kept.
 
    Peak 249 (3.70, 6.83, 120.22 ppm):
    7 chemical-shift based assignments, quality = 0.717, support = 4.86, residual support = 18.2:
          HA    ILE  119 - HD2   HIS  122   2.22 +/- 0.25  89.742% * 60.5709% (0.73   4.91  19.12) =  94.504%  kept
          HA    THR  118 - HD2   HIS  122   5.14 +/- 0.42   8.168% * 38.6648% (0.57   4.02   3.09) =   5.491%  kept
          HD3   PRO   58 - HD2   HIS  122  11.10 +/- 2.26   1.139% *  0.1049% (0.31   0.02   0.02) =   0.002%
          HB2   TRP   49 - HD2   HIS  122  21.61 +/- 4.84   0.253% *  0.2199% (0.65   0.02   0.02) =   0.001%
          HA    VAL   75 - HD2   HIS  122  16.90 +/- 2.64   0.266% *  0.1925% (0.57   0.02   0.02) =   0.001%
          HA2   GLY  109 - HD2   HIS  122  17.02 +/- 3.07   0.298% *  0.0945% (0.28   0.02   0.02) =   0.000%
          HA    ALA   84 - HD2   HIS  122  21.55 +/- 2.78   0.134% *  0.1524% (0.45   0.02   0.02) =   0.000%
    Distance limit 5.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 250 (3.47, 6.83, 120.22 ppm):
    4 chemical-shift based assignments, quality = 0.487, support = 3.6, residual support = 71.4:
      O T HB2   HIS  122 - HD2   HIS  122   3.79 +/- 0.35  87.823% * 99.7225% (0.49  10.0 10.00   3.60  71.38) =  99.988%  kept
          HA    LYS+ 112 - HD2   HIS  122  12.25 +/- 0.78   2.776% *  0.1566% (0.76   1.0  1.00   0.02   0.02) =   0.005%
          HB2   HIS   22 - HD2   HIS  122  21.18 +/- 6.21   5.229% *  0.0699% (0.34   1.0  1.00   0.02   0.02) =   0.004%
          HB    THR   46 - HD2   HIS  122  15.72 +/- 3.19   4.171% *  0.0511% (0.25   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 5.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 251 (2.76, 6.83, 120.22 ppm):
    4 chemical-shift based assignments, quality = 0.947, support = 4.32, residual support = 70.3:
      O T HB3   HIS  122 - HD2   HIS  122   3.07 +/- 0.40  69.959% * 85.9037% (0.97  10.0 10.00   4.30  71.38) =  93.563%  kept
          QE    LYS+ 121 - HD2   HIS  122   4.94 +/- 1.13  29.478% * 14.0261% (0.69   1.0  1.00   4.59  54.95) =   6.437%  kept
          HB3   ASP-  78 - HD2   HIS  122  22.24 +/- 3.22   0.233% *  0.0504% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN   30 - HD2   HIS  122  20.93 +/- 4.15   0.329% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 252 (1.88, 6.83, 120.22 ppm):
    13 chemical-shift based assignments, quality = 0.68, support = 0.0591, residual support = 0.02:
          QB    LYS+ 106 - HD2   HIS  122  13.84 +/- 4.90   7.155% * 36.7896% (0.65   0.13   0.02) =  36.485%  kept
          HB    ILE   56 - HD2   HIS  122  10.94 +/- 2.35  16.888% *  8.7680% (0.98   0.02   0.02) =  20.524%  kept
          HB3   PRO   58 - HD2   HIS  122  10.97 +/- 2.46  15.073% *  5.4255% (0.61   0.02   0.02) =  11.335%  kept
          HB3   ASP- 105 - HD2   HIS  122  12.08 +/- 7.67  22.098% *  3.0512% (0.34   0.02   0.02) =   9.346%  kept
          HB3   LYS+  38 - HD2   HIS  122  21.47 +/- 5.95   4.486% *  8.9252% (1.00   0.02   0.02) =   5.550%  kept
          HG3   PRO   68 - HD2   HIS  122  14.78 +/- 6.11  14.611% *  2.2305% (0.25   0.02   0.02) =   4.517%  kept
          HB3   GLN   30 - HD2   HIS  122  20.16 +/- 3.89   2.486% *  8.2574% (0.92   0.02   0.02) =   2.846%  kept
          HB2   MET   92 - HD2   HIS  122  19.30 +/- 3.12   2.716% *  7.1627% (0.80   0.02   0.02) =   2.696%  kept
          HG2   ARG+  54 - HD2   HIS  122  16.67 +/- 3.50   6.680% *  2.7609% (0.31   0.02   0.02) =   2.556%  kept
          QB    LYS+  33 - HD2   HIS  122  20.84 +/- 3.58   2.223% *  4.0104% (0.45   0.02   0.02) =   1.236%  kept
          QB    LYS+  81 - HD2   HIS  122  22.28 +/- 2.27   1.480% *  5.4255% (0.61   0.02   0.02) =   1.113%  kept
          HB    ILE  103 - HD2   HIS  122  18.22 +/- 6.00   2.865% *  2.4871% (0.28   0.02   0.02) =   0.988%  kept
          HB3   GLN   90 - HD2   HIS  122  22.94 +/- 3.18   1.238% *  4.7062% (0.53   0.02   0.02) =   0.807%  kept
    Distance limit 5.05 A violated in 13 structures by 1.85 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 253 (1.67, 6.83, 120.22 ppm):
    11 chemical-shift based assignments, quality = 0.896, support = 6.07, residual support = 53.4:
          HB2   LYS+ 121 - HD2   HIS  122   3.35 +/- 0.50  70.676% * 68.8020% (0.92   6.17  54.95) =  93.333%  kept
          HB2   LEU  123 - HD2   HIS  122   6.50 +/- 0.49  11.553% * 29.9269% (0.53   4.71  31.42) =   6.636%  kept
          QB    ALA   57 - HD2   HIS  122  10.61 +/- 2.24  10.216% *  0.0373% (0.15   0.02   0.02) =   0.007%
          QD    LYS+  65 - HD2   HIS  122  13.02 +/- 2.03   1.587% *  0.2286% (0.95   0.02   0.02) =   0.007%
          QD    LYS+  38 - HD2   HIS  122  20.12 +/- 5.40   1.322% *  0.2411% (1.00   0.02   0.02) =   0.006%
          QD    LYS+ 102 - HD2   HIS  122  19.88 +/- 4.87   0.720% *  0.1847% (0.76   0.02   0.02) =   0.003%
          HG3   PRO   93 - HD2   HIS  122  16.46 +/- 3.28   0.928% *  0.1368% (0.57   0.02   0.02) =   0.002%
          HD2   LYS+  74 - HD2   HIS  122  15.38 +/- 3.29   1.291% *  0.0907% (0.38   0.02   0.02) =   0.002%
          HB    VAL   83 - HD2   HIS  122  23.17 +/- 2.50   0.293% *  0.2369% (0.98   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HD2   HIS  122  16.71 +/- 1.25   0.710% *  0.0672% (0.28   0.02   0.02) =   0.001%
          HB3   MET   92 - HD2   HIS  122  18.20 +/- 3.04   0.704% *  0.0478% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 254 (1.53, 6.83, 120.22 ppm):
    9 chemical-shift based assignments, quality = 0.765, support = 5.01, residual support = 54.8:
          HB3   LYS+ 121 - HD2   HIS  122   4.48 +/- 0.70  36.037% * 70.3402% (1.00   4.83  54.95) =  64.413%  kept
          HD2   LYS+ 121 - HD2   HIS  122   3.82 +/- 1.07  51.955% * 26.7901% (0.34   5.38  54.95) =  35.368%  kept
          HG    LEU  104 - HD2   HIS  122  15.64 +/- 7.53   3.758% *  1.8533% (1.00   0.13   0.02) =   0.177%  kept
          QD    LYS+  66 - HD2   HIS  122  12.21 +/- 3.82   3.989% *  0.2122% (0.73   0.02   0.02) =   0.022%
          HD3   LYS+  74 - HD2   HIS  122  15.51 +/- 3.76   1.349% *  0.2764% (0.95   0.02   0.02) =   0.009%
          HB3   LYS+ 111 - HD2   HIS  122  14.94 +/- 1.52   0.883% *  0.2820% (0.97   0.02   0.02) =   0.006%
          HG2   LYS+  65 - HD2   HIS  122  14.27 +/- 1.89   0.997% *  0.0812% (0.28   0.02   0.02) =   0.002%
          QG2   THR   26 - HD2   HIS  122  18.66 +/- 3.71   0.627% *  0.0650% (0.22   0.02   0.02) =   0.001%
          HG2   LYS+  33 - HD2   HIS  122  22.24 +/- 4.29   0.406% *  0.0997% (0.34   0.02   0.02) =   0.001%
    Distance limit 5.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 255 (0.98, 6.83, 120.22 ppm):
    8 chemical-shift based assignments, quality = 0.203, support = 3.41, residual support = 18.4:
          QG2   ILE  119 - HD2   HIS  122   3.68 +/- 0.29  63.820% * 68.6691% (0.18  1.00   3.54  19.12) =  96.267%  kept
          QD1   LEU   67 - HD2   HIS  122  11.07 +/- 3.84   9.608% * 10.8655% (1.00  1.00   0.10   0.02) =   2.293%  kept
          QD2   LEU   40 - HD2   HIS  122  11.84 +/- 5.20  17.730% *  2.2141% (1.00  1.00   0.02   0.02) =   0.862%  kept
        T HB    VAL   75 - HD2   HIS  122  15.41 +/- 2.54   1.134% * 12.5352% (0.57 10.00   0.02   0.02) =   0.312%  kept
          QG2   ILE  103 - HD2   HIS  122  13.57 +/- 5.15   3.105% *  2.1368% (0.97  1.00   0.02   0.02) =   0.146%  kept
          HG3   LYS+  74 - HD2   HIS  122  15.50 +/- 3.68   1.489% *  1.9857% (0.90  1.00   0.02   0.02) =   0.065%
          QD2   LEU   71 - HD2   HIS  122  14.19 +/- 2.55   1.584% *  0.9102% (0.41  1.00   0.02   0.02) =   0.032%
          QD1   ILE  103 - HD2   HIS  122  15.86 +/- 4.62   1.530% *  0.6834% (0.31  1.00   0.02   0.02) =   0.023%
    Distance limit 4.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 257 (0.84, 6.83, 120.22 ppm):
    6 chemical-shift based assignments, quality = 0.488, support = 4.47, residual support = 31.2:
          QD1   LEU  123 - HD2   HIS  122   4.06 +/- 0.31  54.777% * 52.2292% (0.49   4.63  31.42) =  77.967%  kept
          QD2   LEU  123 - HD2   HIS  122   6.37 +/- 0.66  17.526% * 44.8660% (0.49   3.98  31.42) =  21.429%  kept
          HB3   LEU  104 - HD2   HIS  122  14.60 +/- 8.13   7.963% *  2.4590% (0.84   0.13   0.02) =   0.534%  kept
          QG1   VAL   70 - HD2   HIS  122  10.77 +/- 4.50  16.089% *  0.1287% (0.28   0.02   0.02) =   0.056%
          QD1   LEU   71 - HD2   HIS  122  14.88 +/- 2.98   1.347% *  0.2254% (0.49   0.02   0.02) =   0.008%
          QG1   VAL   18 - HD2   HIS  122  13.65 +/- 3.34   2.298% *  0.0916% (0.20   0.02   0.02) =   0.006%
    Distance limit 5.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 258 (0.24, 6.83, 120.22 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.984, residual support = 3.09:
        T QG2   THR  118 - HD2   HIS  122   3.49 +/- 0.22 100.000% *100.0000% (0.69 10.00   0.98   3.09) = 100.000%  kept
    Distance limit 3.61 A violated in 0 structures by 0.03 A, kept.
 
    Peak 259 (-1.01, 8.33, 138.33 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 260 (1.38, 7.32, 120.14 ppm):
    30 chemical-shift based assignments, quality = 0.867, support = 1.32, residual support = 18.2:
          HB3   LEU   73 - HE3   TRP   27   4.62 +/- 1.75  27.955% * 45.4704% (0.94   1.45  23.90) =  75.394%  kept
          HB    VAL   42 - HE3   TRP   27   8.84 +/- 1.76   7.820% * 30.4680% (0.97   0.94   0.31) =  14.132%  kept
          HG3   LYS+  65 - HN    LEU   67   5.90 +/- 0.95  15.560% *  5.0509% (0.15   1.00   0.37) =   4.662%  kept
          HB3   LYS+  74 - HE3   TRP   27   8.07 +/- 1.58   6.611% *  8.4821% (0.31   0.83   0.02) =   3.326%  kept
          HB2   LEU   80 - HE3   TRP   27  12.43 +/- 5.48   6.400% *  5.1975% (0.17   0.90   5.84) =   1.973%  kept
          HG3   LYS+  33 - HE3   TRP   27   8.67 +/- 1.35   4.734% *  0.6613% (0.99   0.02   0.02) =   0.186%  kept
          QB    LEU   98 - HE3   TRP   27  10.46 +/- 3.19   3.434% *  0.3752% (0.56   0.02   0.02) =   0.076%
          HG3   LYS+  65 - HE3   TRP   27  14.47 +/- 2.78   1.547% *  0.6496% (0.97   0.02   0.02) =   0.060%
          HB    VAL   42 - HN    LEU   67   9.71 +/- 2.46   4.502% *  0.1011% (0.15   0.02   0.02) =   0.027%
          HG3   LYS+ 106 - HE3   TRP   27  14.72 +/- 2.54   0.849% *  0.5065% (0.76   0.02   0.02) =   0.025%
          HG3   LYS+ 102 - HE3   TRP   27  18.29 +/- 4.18   0.680% *  0.6118% (0.91   0.02   0.02) =   0.025%
          QB    ALA   12 - HE3   TRP   27  16.97 +/- 2.93   0.704% *  0.5536% (0.83   0.02   0.02) =   0.023%
          QB    ALA   84 - HE3   TRP   27  12.43 +/- 2.86   1.895% *  0.1312% (0.20   0.02   0.02) =   0.015%
          HG    LEU   98 - HE3   TRP   27  11.84 +/- 3.47   2.059% *  0.0897% (0.13   0.02   0.02) =   0.011%
          HB2   LYS+ 112 - HE3   TRP   27  22.54 +/- 3.70   0.270% *  0.5749% (0.86   0.02   0.02) =   0.009%
          HB3   PRO   93 - HE3   TRP   27  16.87 +/- 2.74   0.959% *  0.1476% (0.22   0.02   0.02) =   0.008%
          HB3   LEU   73 - HN    LEU   67  12.17 +/- 1.19   1.432% *  0.0976% (0.15   0.02   0.02) =   0.008%
          HB3   LYS+  74 - HN    LEU   67  10.90 +/- 2.41   3.671% *  0.0318% (0.05   0.02   0.02) =   0.007%
          HD3   LYS+ 121 - HE3   TRP   27  19.28 +/- 4.55   0.613% *  0.1843% (0.28   0.02   0.02) =   0.007%
          HG3   LYS+  33 - HN    LEU   67  16.72 +/- 2.95   0.877% *  0.1029% (0.15   0.02   0.02) =   0.005%
          QB    ALA   12 - HN    LEU   67  18.25 +/- 3.15   0.850% *  0.0861% (0.13   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - HN    LEU   67  15.52 +/- 4.17   2.157% *  0.0287% (0.04   0.02   0.02) =   0.004%
          HG3   LYS+ 106 - HN    LEU   67  17.87 +/- 3.44   0.748% *  0.0788% (0.12   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - HN    LEU   67  17.75 +/- 3.02   0.581% *  0.0895% (0.13   0.02   0.02) =   0.003%
          QB    LEU   98 - HN    LEU   67  15.69 +/- 3.08   0.804% *  0.0584% (0.09   0.02   0.02) =   0.003%
          HG3   LYS+ 102 - HN    LEU   67  23.72 +/- 4.22   0.237% *  0.0952% (0.14   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    LEU   67  16.27 +/- 2.27   0.633% *  0.0230% (0.03   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    LEU   67  17.04 +/- 1.58   0.527% *  0.0204% (0.03   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    LEU   67  17.69 +/- 3.49   0.526% *  0.0140% (0.02   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   67  19.21 +/- 2.11   0.363% *  0.0181% (0.03   0.02   0.02) =   0.000%
    Distance limit 5.26 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :    240
      with diagonal assignment               :     32
      without assignment possibility         :      8
      with one assignment possibility        :     20
      with multiple assignment possibilities :    180
      with given assignment possibilities    :      0
      with unique volume contribution        :     69
      with multiple volume contributions     :    131
      eliminated by violation filter         :      7
 
    Peaks:
      selected                               :    240
      without assignment                     :     21
      with assignment                        :    219
      with unique assignment                 :     98
      with multiple assignment               :    121
      with reference assignment              :     32
      with identical reference assignment    :     31
      with compatible reference assignment   :      1
      with incompatible reference assignment :      0
      with additional reference assignment   :      0
      with additional assignment             :    187
 
    Atoms with eliminated volume contribution > 2.5: