data_17821 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17821 _Entry.PDB_ID 2LGQ save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 17821 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 4 4 THR N N 4 117.400 117.400 119.120 -1.720 17821 2 1 1 . 1 1 4 4 THR HA H 4 4.130 4.130 4.103 0.027 17821 3 1 1 . 1 1 4 4 THR C C 4 170.800 170.800 172.125 -1.325 17821 4 1 1 . 1 1 4 4 THR CA C 4 58.800 58.800 60.444 -1.644 17821 5 1 1 . 1 1 4 4 THR CB C 4 67.000 67.000 70.797 -3.797 17821 6 1 1 . 1 1 4 4 THR H H 4 7.980 7.980 7.583 0.397 17821 7 1 1 . 1 1 5 5 MET N N 5 124.400 124.400 120.410 3.990 17821 8 1 1 . 1 1 5 5 MET C C 5 171.200 171.200 174.719 -3.519 17821 9 1 1 . 1 1 5 5 MET CA C 5 50.400 50.400 53.452 -3.052 17821 10 1 1 . 1 1 5 5 MET CB C 5 29.600 29.600 32.368 -2.768 17821 11 1 1 . 1 1 5 5 MET H H 5 8.250 8.250 8.220 0.030 17821 12 1 1 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.215 0.065 17821 13 1 1 . 1 1 6 6 PRO CA C 6 60.500 60.500 64.175 -3.675 17821 14 1 1 . 1 1 6 6 PRO CB C 6 29.200 29.200 31.779 -2.579 17821 15 1 1 . 1 1 7 7 GLY N N 7 109.000 109.000 109.674 -0.674 17821 16 1 1 . 1 1 7 7 GLY C C 7 171.200 171.200 175.063 -3.863 17821 17 1 1 . 1 1 7 7 GLY CA C 7 42.400 42.400 45.470 -3.070 17821 18 1 1 . 1 1 7 7 GLY H H 7 8.360 8.360 8.764 -0.404 17821 19 1 1 . 1 1 8 8 LEU N N 8 121.700 121.700 118.947 2.753 17821 20 1 1 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.802 -0.542 17821 21 1 1 . 1 1 8 8 LEU C C 8 174.600 174.600 175.827 -1.227 17821 22 1 1 . 1 1 8 8 LEU CA C 8 52.300 52.300 54.570 -2.270 17821 23 1 1 . 1 1 8 8 LEU CB C 8 39.400 39.400 42.320 -2.920 17821 24 1 1 . 1 1 8 8 LEU H H 8 7.920 7.920 7.449 0.471 17821 25 1 1 . 1 1 9 9 VAL N N 9 120.900 120.900 114.861 6.039 17821 26 1 1 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.301 -0.321 17821 27 1 1 . 1 1 9 9 VAL C C 9 172.900 172.900 175.902 -3.002 17821 28 1 1 . 1 1 9 9 VAL CA C 9 59.400 59.400 60.520 -1.120 17821 29 1 1 . 1 1 9 9 VAL CB C 9 30.000 30.000 34.742 -4.742 17821 30 1 1 . 1 1 9 9 VAL H H 9 8.050 8.050 7.364 0.686 17821 31 1 1 . 1 1 10 10 ASP N N 10 124.300 124.300 125.319 -1.019 17821 32 1 1 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.591 -0.121 17821 33 1 1 . 1 1 10 10 ASP C C 10 173.100 173.100 176.288 -3.188 17821 34 1 1 . 1 1 10 10 ASP CA C 10 51.500 51.500 54.157 -2.657 17821 35 1 1 . 1 1 10 10 ASP CB C 10 38.300 38.300 39.170 -0.870 17821 36 1 1 . 1 1 10 10 ASP H H 10 8.300 8.300 8.917 -0.617 17821 37 1 1 . 1 1 11 11 SER N N 11 116.400 116.400 118.137 -1.737 17821 38 1 1 . 1 1 11 11 SER HA H 11 4.290 4.290 4.324 -0.034 17821 39 1 1 . 1 1 11 11 SER C C 11 171.200 171.200 174.157 -2.957 17821 40 1 1 . 1 1 11 11 SER CA C 11 55.500 55.500 58.120 -2.619 17821 41 1 1 . 1 1 11 11 SER CB C 11 60.900 60.900 62.487 -1.587 17821 42 1 1 . 1 1 11 11 SER H H 11 8.130 8.130 8.109 0.021 17821 43 1 1 . 1 1 12 12 ASN N N 12 121.600 121.600 120.943 0.657 17821 44 1 1 . 1 1 12 12 ASN HA H 12 4.230 4.230 5.060 -0.830 17821 45 1 1 . 1 1 12 12 ASN C C 12 170.000 170.000 173.515 -3.515 17821 46 1 1 . 1 1 12 12 ASN CA C 12 56.500 56.500 50.982 5.518 17821 47 1 1 . 1 1 12 12 ASN CB C 12 36.000 36.000 38.303 -2.303 17821 48 1 1 . 1 1 12 12 ASN H H 12 8.360 8.360 7.792 0.568 17821 49 1 1 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.465 -0.175 17821 50 1 1 . 1 1 13 13 PRO CA C 13 60.300 60.300 62.530 -2.230 17821 51 1 1 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.147 -2.947 17821 52 1 1 . 1 1 14 14 ALA N N 14 125.700 125.700 122.787 2.913 17821 53 1 1 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.437 -0.027 17821 54 1 1 . 1 1 14 14 ALA C C 14 172.200 172.200 176.612 -4.412 17821 55 1 1 . 1 1 14 14 ALA CA C 14 47.500 47.500 50.957 -3.457 17821 56 1 1 . 1 1 14 14 ALA CB C 14 15.100 15.100 18.362 -3.262 17821 57 1 1 . 1 1 14 14 ALA H H 14 8.260 8.260 8.253 0.007 17821 58 1 1 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.550 -0.270 17821 59 1 1 . 1 1 16 16 PRO CA C 16 60.500 60.500 62.402 -1.902 17821 60 1 1 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.629 -3.429 17821 61 1 1 . 1 1 17 17 GLU N N 17 120.600 120.600 120.328 0.272 17821 62 1 1 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.263 -0.143 17821 63 1 1 . 1 1 17 17 GLU C C 17 173.900 173.900 176.234 -2.334 17821 64 1 1 . 1 1 17 17 GLU CA C 17 54.100 54.100 56.359 -2.259 17821 65 1 1 . 1 1 17 17 GLU CB C 17 27.100 27.100 30.412 -3.312 17821 66 1 1 . 1 1 17 17 GLU H H 17 8.550 8.550 8.423 0.127 17821 67 1 1 . 1 1 18 18 SER N N 18 116.400 116.400 118.457 -2.057 17821 68 1 1 . 1 1 18 18 SER HA H 18 4.310 4.310 4.585 -0.275 17821 69 1 1 . 1 1 18 18 SER C C 18 171.900 171.900 173.883 -1.983 17821 70 1 1 . 1 1 18 18 SER CA C 18 55.600 55.600 58.543 -2.943 17821 71 1 1 . 1 1 18 18 SER CB C 18 60.800 60.800 63.951 -3.151 17821 72 1 1 . 1 1 18 18 SER H H 18 8.240 8.240 8.458 -0.218 17821 73 1 1 . 1 1 19 19 GLN N N 19 122.300 122.300 124.311 -2.011 17821 74 1 1 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.622 -0.422 17821 75 1 1 . 1 1 19 19 GLN C C 19 173.100 173.100 174.565 -1.465 17821 76 1 1 . 1 1 19 19 GLN CA C 19 53.000 53.000 54.647 -1.647 17821 77 1 1 . 1 1 19 19 GLN CB C 19 26.500 26.500 31.017 -4.518 17821 78 1 1 . 1 1 19 19 GLN H H 19 8.310 8.310 8.231 0.079 17821 79 1 1 . 1 1 20 20 GLU N N 20 121.600 121.600 120.344 1.256 17821 80 1 1 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.162 0.128 17821 81 1 1 . 1 1 20 20 GLU C C 20 173.500 173.500 176.439 -2.939 17821 82 1 1 . 1 1 20 20 GLU CA C 20 53.900 53.900 56.438 -2.538 17821 83 1 1 . 1 1 20 20 GLU CB C 20 27.400 27.400 30.245 -2.845 17821 84 1 1 . 1 1 20 20 GLU H H 20 8.240 8.240 8.546 -0.306 17821 85 1 1 . 1 1 21 21 LYS N N 21 122.900 122.900 121.014 1.886 17821 86 1 1 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.708 -0.528 17821 87 1 1 . 1 1 21 21 LYS C C 21 173.400 173.400 177.006 -3.606 17821 88 1 1 . 1 1 21 21 LYS CA C 21 53.300 53.300 54.520 -1.220 17821 89 1 1 . 1 1 21 21 LYS CB C 21 29.800 29.800 34.338 -4.538 17821 90 1 1 . 1 1 21 21 LYS H H 21 8.260 8.260 8.337 -0.077 17821 91 1 1 . 1 1 22 22 LYS N N 22 124.000 124.000 124.101 -0.101 17821 92 1 1 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.295 0.155 17821 93 1 1 . 1 1 22 22 LYS C C 22 171.500 171.500 175.918 -4.418 17821 94 1 1 . 1 1 22 22 LYS CA C 22 51.200 51.200 55.761 -4.561 17821 95 1 1 . 1 1 22 22 LYS CB C 22 29.500 29.500 31.713 -2.213 17821 96 1 1 . 1 1 22 22 LYS H H 22 8.220 8.220 8.567 -0.347 17821 97 1 1 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.499 -0.209 17821 98 1 1 . 1 1 23 23 PRO CA C 23 60.100 60.100 62.604 -2.504 17821 99 1 1 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.138 -2.938 17821 100 1 1 . 1 1 24 24 LEU N N 24 122.700 122.700 116.149 6.551 17821 101 1 1 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.502 -0.342 17821 102 1 1 . 1 1 24 24 LEU C C 24 174.400 174.400 176.490 -2.090 17821 103 1 1 . 1 1 24 24 LEU CA C 24 52.400 52.400 54.625 -2.225 17821 104 1 1 . 1 1 24 24 LEU CB C 24 39.600 39.600 42.442 -2.842 17821 105 1 1 . 1 1 24 24 LEU H H 24 8.270 8.270 8.156 0.114 17821 106 1 1 . 1 1 25 25 LYS N N 25 123.400 123.400 118.545 4.855 17821 107 1 1 . 1 1 25 25 LYS C C 25 171.600 171.600 174.860 -3.260 17821 108 1 1 . 1 1 25 25 LYS CA C 25 50.900 50.900 53.756 -2.856 17821 109 1 1 . 1 1 25 25 LYS CB C 25 29.800 29.800 33.301 -3.501 17821 110 1 1 . 1 1 25 25 LYS H H 25 8.180 8.180 8.447 -0.267 17821 111 1 1 . 1 1 28 28 CYS CA C 28 46.000 46.000 60.121 -14.121 17821 112 1 1 . 1 1 28 28 CYS CB C 28 31.000 31.000 27.164 3.836 17821 113 1 1 . 1 1 29 29 ALA N N 29 123.800 123.800 129.567 -5.767 17821 114 1 1 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.555 -0.405 17821 115 1 1 . 1 1 29 29 ALA C C 29 173.200 173.200 175.351 -2.151 17821 116 1 1 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.700 -2.000 17821 117 1 1 . 1 1 29 29 ALA CB C 29 17.600 17.600 21.025 -3.425 17821 118 1 1 . 1 1 29 29 ALA H H 29 8.050 8.050 8.199 -0.149 17821 119 1 1 . 1 1 30 30 SER N N 30 112.800 112.800 116.304 -3.504 17821 120 1 1 . 1 1 30 30 SER HA H 30 4.580 4.580 5.030 -0.450 17821 121 1 1 . 1 1 30 30 SER C C 30 173.300 173.300 173.993 -0.693 17821 122 1 1 . 1 1 30 30 SER CA C 30 52.600 52.600 55.002 -2.401 17821 123 1 1 . 1 1 30 30 SER CB C 30 59.400 59.400 63.806 -4.406 17821 124 1 1 . 1 1 30 30 SER H H 30 8.270 8.270 8.782 -0.512 17821 125 1 1 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.221 -0.061 17821 126 1 1 . 1 1 31 31 PRO CA C 31 61.800 61.800 65.094 -3.294 17821 127 1 1 . 1 1 31 31 PRO CB C 31 29.300 29.300 31.833 -2.533 17821 128 1 1 . 1 1 32 32 GLU N N 32 119.100 119.100 117.963 1.137 17821 129 1 1 . 1 1 32 32 GLU HA H 32 4.060 4.060 4.140 -0.080 17821 130 1 1 . 1 1 32 32 GLU C C 32 177.300 177.300 178.359 -1.059 17821 131 1 1 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.992 -3.092 17821 132 1 1 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.560 -2.560 17821 133 1 1 . 1 1 32 32 GLU H H 32 8.720 8.720 8.879 -0.159 17821 134 1 1 . 1 1 33 33 THR N N 33 110.800 110.800 113.015 -2.215 17821 135 1 1 . 1 1 33 33 THR HA H 33 4.040 4.040 4.115 -0.075 17821 136 1 1 . 1 1 33 33 THR C C 33 176.000 176.000 176.258 -0.258 17821 137 1 1 . 1 1 33 33 THR CA C 33 61.700 61.700 65.652 -3.952 17821 138 1 1 . 1 1 33 33 THR CB C 33 64.100 64.100 68.547 -4.447 17821 139 1 1 . 1 1 33 33 THR H H 33 7.620 7.620 7.618 0.002 17821 140 1 1 . 1 1 34 34 LYS N N 34 127.100 127.100 121.981 5.119 17821 141 1 1 . 1 1 34 34 LYS HA H 34 2.920 2.920 3.847 -0.927 17821 142 1 1 . 1 1 34 34 LYS C C 34 174.300 174.300 178.396 -4.096 17821 143 1 1 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.857 -2.557 17821 144 1 1 . 1 1 34 34 LYS CB C 34 30.000 30.000 32.435 -2.435 17821 145 1 1 . 1 1 34 34 LYS H H 34 7.740 7.740 8.135 -0.395 17821 146 1 1 . 1 1 35 35 LYS N N 35 118.500 118.500 118.701 -0.201 17821 147 1 1 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.045 -0.155 17821 148 1 1 . 1 1 35 35 LYS C C 35 176.500 176.500 178.995 -2.495 17821 149 1 1 . 1 1 35 35 LYS CA C 35 56.700 56.700 59.111 -2.411 17821 150 1 1 . 1 1 35 35 LYS CB C 35 29.500 29.500 31.918 -2.418 17821 151 1 1 . 1 1 35 35 LYS H H 35 7.880 7.880 7.908 -0.028 17821 152 1 1 . 1 1 36 36 ALA N N 36 120.100 120.100 121.976 -1.876 17821 153 1 1 . 1 1 36 36 ALA HA H 36 4.040 4.040 3.989 0.051 17821 154 1 1 . 1 1 36 36 ALA C C 36 177.600 177.600 179.416 -1.816 17821 155 1 1 . 1 1 36 36 ALA CA C 36 52.000 52.000 55.118 -3.118 17821 156 1 1 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.459 -3.059 17821 157 1 1 . 1 1 36 36 ALA H H 36 7.490 7.490 8.382 -0.892 17821 158 1 1 . 1 1 37 37 ARG N N 37 118.500 118.500 118.922 -0.422 17821 159 1 1 . 1 1 37 37 ARG HA H 37 3.620 3.620 4.031 -0.411 17821 160 1 1 . 1 1 37 37 ARG C C 37 174.100 174.100 178.388 -4.288 17821 161 1 1 . 1 1 37 37 ARG CA C 37 56.600 56.600 59.103 -2.503 17821 162 1 1 . 1 1 37 37 ARG CB C 37 27.100 27.100 29.495 -2.395 17821 163 1 1 . 1 1 37 37 ARG H H 37 7.630 7.630 8.344 -0.714 17821 164 1 1 . 1 1 38 38 ASP N N 38 120.200 120.200 119.118 1.082 17821 165 1 1 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.393 -0.123 17821 166 1 1 . 1 1 38 38 ASP C C 38 175.500 175.500 178.460 -2.960 17821 167 1 1 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.369 -2.669 17821 168 1 1 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.620 -4.420 17821 169 1 1 . 1 1 38 38 ASP H H 38 8.680 8.680 8.215 0.465 17821 170 1 1 . 1 1 39 39 ALA N N 39 121.100 121.100 121.218 -0.118 17821 171 1 1 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.110 -0.100 17821 172 1 1 . 1 1 39 39 ALA C C 39 176.800 176.800 179.533 -2.733 17821 173 1 1 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.236 -3.135 17821 174 1 1 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.309 -3.110 17821 175 1 1 . 1 1 39 39 ALA H H 39 8.040 8.040 8.137 -0.097 17821 176 1 1 . 1 1 40 40 CYS N N 40 117.600 117.600 118.570 -0.970 17821 177 1 1 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.236 -0.056 17821 178 1 1 . 1 1 40 40 CYS C C 40 173.800 173.800 177.023 -3.223 17821 179 1 1 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.306 -4.406 17821 180 1 1 . 1 1 40 40 CYS CB C 40 36.400 36.400 25.798 10.602 17821 181 1 1 . 1 1 40 40 CYS H H 40 7.340 7.340 8.158 -0.818 17821 182 1 1 . 1 1 41 41 ILE N N 41 121.500 121.500 121.205 0.295 17821 183 1 1 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.837 -0.787 17821 184 1 1 . 1 1 41 41 ILE C C 41 176.100 176.100 178.389 -2.289 17821 185 1 1 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.896 -1.496 17821 186 1 1 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.828 -2.528 17821 187 1 1 . 1 1 41 41 ILE H H 41 8.230 8.230 8.531 -0.301 17821 188 1 1 . 1 1 42 42 ILE N N 42 119.200 119.200 120.112 -0.912 17821 189 1 1 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.672 0.018 17821 190 1 1 . 1 1 42 42 ILE C C 42 174.200 174.200 177.660 -3.460 17821 191 1 1 . 1 1 42 42 ILE CA C 42 61.300 61.300 64.899 -3.599 17821 192 1 1 . 1 1 42 42 ILE CB C 42 35.800 35.800 37.907 -2.107 17821 193 1 1 . 1 1 42 42 ILE H H 42 7.770 7.770 7.969 -0.199 17821 194 1 1 . 1 1 43 43 GLU N N 43 118.700 118.700 118.834 -0.134 17821 195 1 1 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.127 -0.077 17821 196 1 1 . 1 1 43 43 GLU C C 43 175.300 175.300 177.744 -2.444 17821 197 1 1 . 1 1 43 43 GLU CA C 43 56.300 56.300 59.009 -2.709 17821 198 1 1 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.238 -2.038 17821 199 1 1 . 1 1 43 43 GLU H H 43 7.600 7.600 8.089 -0.489 17821 200 1 1 . 1 1 44 44 LYS N N 44 114.600 114.600 114.550 0.050 17821 201 1 1 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.451 -0.001 17821 202 1 1 . 1 1 44 44 LYS C C 44 174.500 174.500 175.915 -1.415 17821 203 1 1 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.416 -2.616 17821 204 1 1 . 1 1 44 44 LYS CB C 44 32.700 32.700 36.033 -3.333 17821 205 1 1 . 1 1 44 44 LYS H H 44 8.860 8.860 8.306 0.554 17821 206 1 1 . 1 1 45 45 GLY N N 45 108.700 108.700 108.097 0.603 17821 207 1 1 . 1 1 45 45 GLY C C 45 171.000 171.000 174.912 -3.912 17821 208 1 1 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.456 -3.156 17821 209 1 1 . 1 1 45 45 GLY H H 45 7.690 7.690 7.719 -0.029 17821 210 1 1 . 1 1 46 46 GLU N N 46 120.800 120.800 122.180 -1.380 17821 211 1 1 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.947 -0.507 17821 212 1 1 . 1 1 46 46 GLU C C 46 175.800 175.800 177.578 -1.778 17821 213 1 1 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.689 -1.389 17821 214 1 1 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.781 -2.681 17821 215 1 1 . 1 1 46 46 GLU H H 46 8.900 8.900 8.916 -0.016 17821 216 1 1 . 1 1 47 47 GLU N N 47 118.700 118.700 117.862 0.838 17821 217 1 1 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.194 -0.254 17821 218 1 1 . 1 1 47 47 GLU C C 47 174.300 174.300 176.153 -1.853 17821 219 1 1 . 1 1 47 47 GLU CA C 47 55.900 55.900 56.616 -0.716 17821 220 1 1 . 1 1 47 47 GLU CB C 47 25.500 25.500 27.779 -2.280 17821 221 1 1 . 1 1 47 47 GLU H H 47 9.530 9.530 8.685 0.845 17821 222 1 1 . 1 1 48 48 HIS N N 48 117.500 117.500 114.743 2.757 17821 223 1 1 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.775 0.095 17821 224 1 1 . 1 1 48 48 HIS C C 48 173.300 173.300 174.218 -0.918 17821 225 1 1 . 1 1 48 48 HIS CA C 48 53.100 53.100 56.057 -2.957 17821 226 1 1 . 1 1 48 48 HIS CB C 48 28.900 28.900 30.993 -2.093 17821 227 1 1 . 1 1 48 48 HIS H H 48 7.500 7.500 7.670 -0.170 17821 228 1 1 . 1 1 49 49 CYS N N 49 116.100 116.100 119.263 -3.163 17821 229 1 1 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.919 0.131 17821 230 1 1 . 1 1 49 49 CYS C C 49 173.700 173.700 175.916 -2.216 17821 231 1 1 . 1 1 49 49 CYS CA C 49 51.700 51.700 57.768 -6.068 17821 232 1 1 . 1 1 49 49 CYS CB C 49 39.500 39.500 26.389 13.111 17821 233 1 1 . 1 1 49 49 CYS H H 49 7.460 7.460 7.720 -0.260 17821 234 1 1 . 1 1 50 50 GLY N N 50 112.900 112.900 109.379 3.521 17821 235 1 1 . 1 1 50 50 GLY C C 50 172.500 172.500 175.871 -3.371 17821 236 1 1 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.594 -2.294 17821 237 1 1 . 1 1 50 50 GLY H H 50 9.150 9.150 8.638 0.512 17821 238 1 1 . 1 1 51 51 HIS C C 51 175.400 175.400 177.317 -1.917 17821 239 1 1 . 1 1 51 51 HIS CA C 51 56.400 56.400 57.093 -0.693 17821 240 1 1 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.249 -3.249 17821 241 1 1 . 1 1 52 52 LEU N N 52 122.000 122.000 120.884 1.116 17821 242 1 1 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.272 -0.162 17821 243 1 1 . 1 1 52 52 LEU C C 52 177.700 177.700 178.888 -1.188 17821 244 1 1 . 1 1 52 52 LEU CA C 52 53.800 53.800 56.918 -3.118 17821 245 1 1 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.194 -1.694 17821 246 1 1 . 1 1 52 52 LEU H H 52 6.810 6.810 8.090 -1.280 17821 247 1 1 . 1 1 53 53 ILE N N 53 124.200 124.200 121.275 2.925 17821 248 1 1 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.014 0.416 17821 249 1 1 . 1 1 53 53 ILE C C 53 176.100 176.100 178.080 -1.980 17821 250 1 1 . 1 1 53 53 ILE CA C 53 63.200 63.200 64.562 -1.362 17821 251 1 1 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.527 -1.627 17821 252 1 1 . 1 1 53 53 ILE H H 53 8.170 8.170 7.978 0.192 17821 253 1 1 . 1 1 54 54 GLU N N 54 120.600 120.600 119.930 0.670 17821 254 1 1 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.814 0.216 17821 255 1 1 . 1 1 54 54 GLU C C 54 175.400 175.400 178.706 -3.306 17821 256 1 1 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.913 -3.813 17821 257 1 1 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.623 -3.623 17821 258 1 1 . 1 1 54 54 GLU H H 54 8.380 8.380 8.290 0.090 17821 259 1 1 . 1 1 55 55 ALA N N 55 120.800 120.800 121.029 -0.229 17821 260 1 1 . 1 1 55 55 ALA HA H 55 4.120 4.120 4.029 0.091 17821 261 1 1 . 1 1 55 55 ALA C C 55 177.900 177.900 179.579 -1.679 17821 262 1 1 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.341 -3.141 17821 263 1 1 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.493 -3.393 17821 264 1 1 . 1 1 55 55 ALA H H 55 7.880 7.880 7.993 -0.113 17821 265 1 1 . 1 1 56 56 HIS N N 56 117.400 117.400 117.140 0.260 17821 266 1 1 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.400 -0.100 17821 267 1 1 . 1 1 56 56 HIS C C 56 173.500 173.500 177.367 -3.867 17821 268 1 1 . 1 1 56 56 HIS CA C 56 57.000 57.000 58.141 -1.141 17821 269 1 1 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.388 -1.088 17821 270 1 1 . 1 1 56 56 HIS H H 56 7.640 7.640 8.313 -0.673 17821 271 1 1 . 1 1 57 57 LYS N N 57 119.200 119.200 120.445 -1.245 17821 272 1 1 . 1 1 57 57 LYS HA H 57 3.600 3.600 4.064 -0.464 17821 273 1 1 . 1 1 57 57 LYS C C 57 176.200 176.200 178.860 -2.660 17821 274 1 1 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.673 -2.073 17821 275 1 1 . 1 1 57 57 LYS CB C 57 29.500 29.500 32.005 -2.505 17821 276 1 1 . 1 1 57 57 LYS H H 57 7.620 7.620 8.381 -0.761 17821 277 1 1 . 1 1 58 58 GLU N N 58 118.400 118.400 120.010 -1.610 17821 278 1 1 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.117 -0.147 17821 279 1 1 . 1 1 58 58 GLU C C 58 176.200 176.200 179.088 -2.888 17821 280 1 1 . 1 1 58 58 GLU CA C 58 56.200 56.200 58.793 -2.593 17821 281 1 1 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.291 -2.991 17821 282 1 1 . 1 1 58 58 GLU H H 58 8.490 8.490 8.357 0.133 17821 283 1 1 . 1 1 59 59 SER N N 59 116.100 116.100 116.588 -0.488 17821 284 1 1 . 1 1 59 59 SER HA H 59 4.150 4.150 4.215 -0.065 17821 285 1 1 . 1 1 59 59 SER CA C 59 58.400 58.400 61.664 -3.264 17821 286 1 1 . 1 1 59 59 SER CB C 59 60.300 60.300 63.164 -2.864 17821 287 1 1 . 1 1 59 59 SER H H 59 7.790 7.790 8.228 -0.438 17821 288 1 1 . 1 1 60 60 MET N N 60 117.500 117.500 118.074 -0.574 17821 289 1 1 . 1 1 60 60 MET HA H 60 4.170 4.170 4.328 -0.158 17821 290 1 1 . 1 1 60 60 MET C C 60 176.400 176.400 177.157 -0.757 17821 291 1 1 . 1 1 60 60 MET CA C 60 54.400 54.400 55.519 -1.119 17821 292 1 1 . 1 1 60 60 MET CB C 60 29.100 29.100 32.592 -3.492 17821 293 1 1 . 1 1 60 60 MET H H 60 7.880 7.880 7.986 -0.106 17821 294 1 1 . 1 1 61 61 ARG N N 61 121.300 121.300 121.209 0.091 17821 295 1 1 . 1 1 61 61 ARG HA H 61 4.170 4.170 3.999 0.171 17821 296 1 1 . 1 1 61 61 ARG C C 61 177.500 177.500 178.754 -1.254 17821 297 1 1 . 1 1 61 61 ARG CA C 61 56.100 56.100 59.279 -3.179 17821 298 1 1 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.190 -2.690 17821 299 1 1 . 1 1 61 61 ARG H H 61 8.290 8.290 8.170 0.120 17821 300 1 1 . 1 1 62 62 ALA N N 62 123.200 123.200 122.831 0.369 17821 301 1 1 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.098 -0.028 17821 302 1 1 . 1 1 62 62 ALA C C 62 176.400 176.400 178.344 -1.944 17821 303 1 1 . 1 1 62 62 ALA CA C 62 51.500 51.500 54.405 -2.905 17821 304 1 1 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.501 -3.401 17821 305 1 1 . 1 1 62 62 ALA H H 62 7.950 7.950 7.914 0.036 17821 306 1 1 . 1 1 63 63 LEU N N 63 117.500 117.500 116.607 0.893 17821 307 1 1 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.308 -0.108 17821 308 1 1 . 1 1 63 63 LEU C C 63 174.400 174.400 177.247 -2.847 17821 309 1 1 . 1 1 63 63 LEU CA C 63 52.900 52.900 54.018 -1.118 17821 310 1 1 . 1 1 63 63 LEU CB C 63 39.800 39.800 40.929 -1.129 17821 311 1 1 . 1 1 63 63 LEU H H 63 7.450 7.450 7.503 -0.053 17821 312 1 1 . 1 1 64 64 GLY N N 64 106.300 106.300 107.996 -1.696 17821 313 1 1 . 1 1 64 64 GLY C C 64 171.400 171.400 175.084 -3.684 17821 314 1 1 . 1 1 64 64 GLY CA C 64 42.100 42.100 45.932 -3.833 17821 315 1 1 . 1 1 64 64 GLY H H 64 7.780 7.780 7.707 0.073 17821 316 1 1 . 1 1 65 65 PHE N N 65 119.800 119.800 115.753 4.047 17821 317 1 1 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.968 -0.498 17821 318 1 1 . 1 1 65 65 PHE C C 65 172.300 172.300 175.275 -2.975 17821 319 1 1 . 1 1 65 65 PHE CA C 65 54.900 54.900 56.123 -1.224 17821 320 1 1 . 1 1 65 65 PHE CB C 65 36.900 36.900 38.989 -2.089 17821 321 1 1 . 1 1 65 65 PHE H H 65 7.840 7.840 7.527 0.313 17821 322 1 1 . 1 1 66 66 LYS N N 66 124.000 124.000 121.529 2.471 17821 323 1 1 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.514 -0.254 17821 324 1 1 . 1 1 66 66 LYS C C 66 172.200 172.200 175.699 -3.499 17821 325 1 1 . 1 1 66 66 LYS CA C 66 53.200 53.200 57.035 -3.835 17821 326 1 1 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.710 -4.410 17821 327 1 1 . 1 1 66 66 LYS H H 66 8.370 8.370 8.257 0.113 17821 328 1 2 . 1 1 4 4 THR N N 4 117.400 117.400 116.109 1.291 17821 329 1 2 . 1 1 4 4 THR HA H 4 4.130 4.130 4.484 -0.354 17821 330 1 2 . 1 1 4 4 THR C C 4 170.800 170.800 174.569 -3.769 17821 331 1 2 . 1 1 4 4 THR CA C 4 58.800 58.800 62.455 -3.655 17821 332 1 2 . 1 1 4 4 THR CB C 4 67.000 67.000 69.442 -2.442 17821 333 1 2 . 1 1 4 4 THR H H 4 7.980 7.980 8.342 -0.362 17821 334 1 2 . 1 1 5 5 MET N N 5 124.400 124.400 123.102 1.298 17821 335 1 2 . 1 1 5 5 MET C C 5 171.200 171.200 174.057 -2.857 17821 336 1 2 . 1 1 5 5 MET CA C 5 50.400 50.400 52.659 -2.259 17821 337 1 2 . 1 1 5 5 MET CB C 5 29.600 29.600 34.097 -4.497 17821 338 1 2 . 1 1 5 5 MET H H 5 8.250 8.250 8.427 -0.177 17821 339 1 2 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.427 -0.147 17821 340 1 2 . 1 1 6 6 PRO CA C 6 60.500 60.500 63.060 -2.560 17821 341 1 2 . 1 1 6 6 PRO CB C 6 29.200 29.200 32.270 -3.071 17821 342 1 2 . 1 1 7 7 GLY N N 7 109.000 109.000 111.932 -2.932 17821 343 1 2 . 1 1 7 7 GLY C C 7 171.200 171.200 174.690 -3.490 17821 344 1 2 . 1 1 7 7 GLY CA C 7 42.400 42.400 46.171 -3.771 17821 345 1 2 . 1 1 7 7 GLY H H 7 8.360 8.360 8.705 -0.345 17821 346 1 2 . 1 1 8 8 LEU N N 8 121.700 121.700 124.514 -2.814 17821 347 1 2 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.379 -0.119 17821 348 1 2 . 1 1 8 8 LEU C C 8 174.600 174.600 175.993 -1.393 17821 349 1 2 . 1 1 8 8 LEU CA C 8 52.300 52.300 54.348 -2.048 17821 350 1 2 . 1 1 8 8 LEU CB C 8 39.400 39.400 40.639 -1.240 17821 351 1 2 . 1 1 8 8 LEU H H 8 7.920 7.920 7.787 0.133 17821 352 1 2 . 1 1 9 9 VAL N N 9 120.900 120.900 120.434 0.466 17821 353 1 2 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.348 -0.368 17821 354 1 2 . 1 1 9 9 VAL C C 9 172.900 172.900 175.444 -2.544 17821 355 1 2 . 1 1 9 9 VAL CA C 9 59.400 59.400 60.813 -1.413 17821 356 1 2 . 1 1 9 9 VAL CB C 9 30.000 30.000 33.030 -3.030 17821 357 1 2 . 1 1 9 9 VAL H H 9 8.050 8.050 7.873 0.177 17821 358 1 2 . 1 1 10 10 ASP N N 10 124.300 124.300 125.748 -1.448 17821 359 1 2 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.589 -0.119 17821 360 1 2 . 1 1 10 10 ASP C C 10 173.100 173.100 175.550 -2.450 17821 361 1 2 . 1 1 10 10 ASP CA C 10 51.500 51.500 54.427 -2.927 17821 362 1 2 . 1 1 10 10 ASP CB C 10 38.300 38.300 41.123 -2.823 17821 363 1 2 . 1 1 10 10 ASP H H 10 8.300 8.300 8.531 -0.231 17821 364 1 2 . 1 1 11 11 SER N N 11 116.400 116.400 116.983 -0.583 17821 365 1 2 . 1 1 11 11 SER HA H 11 4.290 4.290 4.567 -0.277 17821 366 1 2 . 1 1 11 11 SER C C 11 171.200 171.200 174.237 -3.037 17821 367 1 2 . 1 1 11 11 SER CA C 11 55.500 55.500 57.102 -1.602 17821 368 1 2 . 1 1 11 11 SER CB C 11 60.900 60.900 64.196 -3.296 17821 369 1 2 . 1 1 11 11 SER H H 11 8.130 8.130 8.531 -0.401 17821 370 1 2 . 1 1 12 12 ASN N N 12 121.600 121.600 123.437 -1.837 17821 371 1 2 . 1 1 12 12 ASN HA H 12 4.230 4.230 4.935 -0.705 17821 372 1 2 . 1 1 12 12 ASN C C 12 170.000 170.000 173.677 -3.677 17821 373 1 2 . 1 1 12 12 ASN CA C 12 56.500 56.500 51.796 4.704 17821 374 1 2 . 1 1 12 12 ASN CB C 12 36.000 36.000 38.100 -2.100 17821 375 1 2 . 1 1 12 12 ASN H H 12 8.360 8.360 8.420 -0.060 17821 376 1 2 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.493 -0.203 17821 377 1 2 . 1 1 13 13 PRO CA C 13 60.300 60.300 63.453 -3.153 17821 378 1 2 . 1 1 13 13 PRO CB C 13 29.200 29.200 31.895 -2.696 17821 379 1 2 . 1 1 14 14 ALA N N 14 125.700 125.700 124.229 1.471 17821 380 1 2 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.182 0.228 17821 381 1 2 . 1 1 14 14 ALA C C 14 172.200 172.200 175.346 -3.146 17821 382 1 2 . 1 1 14 14 ALA CA C 14 47.500 47.500 51.851 -4.351 17821 383 1 2 . 1 1 14 14 ALA CB C 14 15.100 15.100 17.984 -2.884 17821 384 1 2 . 1 1 14 14 ALA H H 14 8.260 8.260 8.267 -0.007 17821 385 1 2 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.604 -0.324 17821 386 1 2 . 1 1 16 16 PRO CA C 16 60.500 60.500 62.503 -2.003 17821 387 1 2 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.753 -3.553 17821 388 1 2 . 1 1 17 17 GLU N N 17 120.600 120.600 119.897 0.703 17821 389 1 2 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.356 -0.236 17821 390 1 2 . 1 1 17 17 GLU C C 17 173.900 173.900 176.718 -2.818 17821 391 1 2 . 1 1 17 17 GLU CA C 17 54.100 54.100 57.217 -3.117 17821 392 1 2 . 1 1 17 17 GLU CB C 17 27.100 27.100 29.619 -2.518 17821 393 1 2 . 1 1 17 17 GLU H H 17 8.550 8.550 8.673 -0.123 17821 394 1 2 . 1 1 18 18 SER N N 18 116.400 116.400 113.957 2.443 17821 395 1 2 . 1 1 18 18 SER HA H 18 4.310 4.310 4.590 -0.280 17821 396 1 2 . 1 1 18 18 SER C C 18 171.900 171.900 173.970 -2.070 17821 397 1 2 . 1 1 18 18 SER CA C 18 55.600 55.600 57.824 -2.224 17821 398 1 2 . 1 1 18 18 SER CB C 18 60.800 60.800 63.747 -2.947 17821 399 1 2 . 1 1 18 18 SER H H 18 8.240 8.240 7.849 0.391 17821 400 1 2 . 1 1 19 19 GLN N N 19 122.300 122.300 121.242 1.058 17821 401 1 2 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.508 -0.308 17821 402 1 2 . 1 1 19 19 GLN C C 19 173.100 173.100 175.162 -2.062 17821 403 1 2 . 1 1 19 19 GLN CA C 19 53.000 53.000 55.182 -2.182 17821 404 1 2 . 1 1 19 19 GLN CB C 19 26.500 26.500 30.452 -3.952 17821 405 1 2 . 1 1 19 19 GLN H H 19 8.310 8.310 7.875 0.435 17821 406 1 2 . 1 1 20 20 GLU N N 20 121.600 121.600 122.383 -0.783 17821 407 1 2 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.312 -0.022 17821 408 1 2 . 1 1 20 20 GLU C C 20 173.500 173.500 176.306 -2.806 17821 409 1 2 . 1 1 20 20 GLU CA C 20 53.900 53.900 56.828 -2.928 17821 410 1 2 . 1 1 20 20 GLU CB C 20 27.400 27.400 29.746 -2.346 17821 411 1 2 . 1 1 20 20 GLU H H 20 8.240 8.240 8.485 -0.245 17821 412 1 2 . 1 1 21 21 LYS N N 21 122.900 122.900 125.128 -2.228 17821 413 1 2 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.434 -0.254 17821 414 1 2 . 1 1 21 21 LYS C C 21 173.400 173.400 175.457 -2.057 17821 415 1 2 . 1 1 21 21 LYS CA C 21 53.300 53.300 55.507 -2.207 17821 416 1 2 . 1 1 21 21 LYS CB C 21 29.800 29.800 34.147 -4.347 17821 417 1 2 . 1 1 21 21 LYS H H 21 8.260 8.260 8.296 -0.036 17821 418 1 2 . 1 1 22 22 LYS N N 22 124.000 124.000 122.847 1.153 17821 419 1 2 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.465 -0.015 17821 420 1 2 . 1 1 22 22 LYS C C 22 171.500 171.500 175.279 -3.779 17821 421 1 2 . 1 1 22 22 LYS CA C 22 51.200 51.200 54.968 -3.768 17821 422 1 2 . 1 1 22 22 LYS CB C 22 29.500 29.500 31.477 -1.977 17821 423 1 2 . 1 1 22 22 LYS H H 22 8.220 8.220 8.438 -0.218 17821 424 1 2 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.483 -0.193 17821 425 1 2 . 1 1 23 23 PRO CA C 23 60.100 60.100 63.225 -3.125 17821 426 1 2 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.351 -3.151 17821 427 1 2 . 1 1 24 24 LEU N N 24 122.700 122.700 122.386 0.314 17821 428 1 2 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.606 -0.446 17821 429 1 2 . 1 1 24 24 LEU C C 24 174.400 174.400 175.963 -1.563 17821 430 1 2 . 1 1 24 24 LEU CA C 24 52.400 52.400 53.442 -1.042 17821 431 1 2 . 1 1 24 24 LEU CB C 24 39.600 39.600 43.969 -4.369 17821 432 1 2 . 1 1 24 24 LEU H H 24 8.270 8.270 8.112 0.158 17821 433 1 2 . 1 1 25 25 LYS N N 25 123.400 123.400 121.885 1.515 17821 434 1 2 . 1 1 25 25 LYS C C 25 171.600 171.600 174.275 -2.675 17821 435 1 2 . 1 1 25 25 LYS CA C 25 50.900 50.900 53.913 -3.013 17821 436 1 2 . 1 1 25 25 LYS CB C 25 29.800 29.800 32.862 -3.062 17821 437 1 2 . 1 1 25 25 LYS H H 25 8.180 8.180 8.266 -0.086 17821 438 1 2 . 1 1 28 28 CYS CA C 28 46.000 46.000 59.640 -13.640 17821 439 1 2 . 1 1 28 28 CYS CB C 28 31.000 31.000 28.665 2.335 17821 440 1 2 . 1 1 29 29 ALA N N 29 123.800 123.800 125.591 -1.791 17821 441 1 2 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.566 -0.416 17821 442 1 2 . 1 1 29 29 ALA C C 29 173.200 173.200 175.856 -2.656 17821 443 1 2 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.729 -2.029 17821 444 1 2 . 1 1 29 29 ALA CB C 29 17.600 17.600 21.079 -3.479 17821 445 1 2 . 1 1 29 29 ALA H H 29 8.050 8.050 8.098 -0.048 17821 446 1 2 . 1 1 30 30 SER N N 30 112.800 112.800 116.147 -3.347 17821 447 1 2 . 1 1 30 30 SER HA H 30 4.580 4.580 5.251 -0.671 17821 448 1 2 . 1 1 30 30 SER C C 30 173.300 173.300 173.916 -0.616 17821 449 1 2 . 1 1 30 30 SER CA C 30 52.600 52.600 55.114 -2.514 17821 450 1 2 . 1 1 30 30 SER CB C 30 59.400 59.400 63.264 -3.865 17821 451 1 2 . 1 1 30 30 SER H H 30 8.270 8.270 8.640 -0.370 17821 452 1 2 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.232 -0.072 17821 453 1 2 . 1 1 31 31 PRO CA C 31 61.800 61.800 65.302 -3.502 17821 454 1 2 . 1 1 31 31 PRO CB C 31 29.300 29.300 32.041 -2.741 17821 455 1 2 . 1 1 32 32 GLU N N 32 119.100 119.100 118.273 0.827 17821 456 1 2 . 1 1 32 32 GLU HA H 32 4.060 4.060 4.068 -0.008 17821 457 1 2 . 1 1 32 32 GLU C C 32 177.300 177.300 178.762 -1.462 17821 458 1 2 . 1 1 32 32 GLU CA C 32 56.900 56.900 60.387 -3.487 17821 459 1 2 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.499 -2.499 17821 460 1 2 . 1 1 32 32 GLU H H 32 8.720 8.720 8.873 -0.153 17821 461 1 2 . 1 1 33 33 THR N N 33 110.800 110.800 112.258 -1.458 17821 462 1 2 . 1 1 33 33 THR HA H 33 4.040 4.040 4.083 -0.043 17821 463 1 2 . 1 1 33 33 THR C C 33 176.000 176.000 176.570 -0.570 17821 464 1 2 . 1 1 33 33 THR CA C 33 61.700 61.700 65.535 -3.835 17821 465 1 2 . 1 1 33 33 THR CB C 33 64.100 64.100 68.889 -4.789 17821 466 1 2 . 1 1 33 33 THR H H 33 7.620 7.620 7.959 -0.339 17821 467 1 2 . 1 1 34 34 LYS N N 34 127.100 127.100 123.101 3.999 17821 468 1 2 . 1 1 34 34 LYS HA H 34 2.920 2.920 4.249 -1.329 17821 469 1 2 . 1 1 34 34 LYS C C 34 174.300 174.300 178.787 -4.487 17821 470 1 2 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.749 -2.449 17821 471 1 2 . 1 1 34 34 LYS CB C 34 30.000 30.000 32.626 -2.626 17821 472 1 2 . 1 1 34 34 LYS H H 34 7.740 7.740 7.684 0.056 17821 473 1 2 . 1 1 35 35 LYS N N 35 118.500 118.500 119.303 -0.803 17821 474 1 2 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.083 -0.193 17821 475 1 2 . 1 1 35 35 LYS C C 35 176.500 176.500 178.939 -2.439 17821 476 1 2 . 1 1 35 35 LYS CA C 35 56.700 56.700 59.063 -2.363 17821 477 1 2 . 1 1 35 35 LYS CB C 35 29.500 29.500 32.134 -2.634 17821 478 1 2 . 1 1 35 35 LYS H H 35 7.880 7.880 8.266 -0.386 17821 479 1 2 . 1 1 36 36 ALA N N 36 120.100 120.100 122.481 -2.381 17821 480 1 2 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.131 -0.091 17821 481 1 2 . 1 1 36 36 ALA C C 36 177.600 177.600 179.539 -1.939 17821 482 1 2 . 1 1 36 36 ALA CA C 36 52.000 52.000 55.040 -3.040 17821 483 1 2 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.297 -2.897 17821 484 1 2 . 1 1 36 36 ALA H H 36 7.490 7.490 8.341 -0.851 17821 485 1 2 . 1 1 37 37 ARG N N 37 118.500 118.500 119.245 -0.745 17821 486 1 2 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.951 -0.331 17821 487 1 2 . 1 1 37 37 ARG C C 37 174.100 174.100 177.860 -3.760 17821 488 1 2 . 1 1 37 37 ARG CA C 37 56.600 56.600 59.799 -3.199 17821 489 1 2 . 1 1 37 37 ARG CB C 37 27.100 27.100 30.176 -3.076 17821 490 1 2 . 1 1 37 37 ARG H H 37 7.630 7.630 8.319 -0.689 17821 491 1 2 . 1 1 38 38 ASP N N 38 120.200 120.200 119.808 0.392 17821 492 1 2 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.304 -0.034 17821 493 1 2 . 1 1 38 38 ASP C C 38 175.500 175.500 178.672 -3.172 17821 494 1 2 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.366 -2.666 17821 495 1 2 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.262 -4.062 17821 496 1 2 . 1 1 38 38 ASP H H 38 8.680 8.680 8.223 0.457 17821 497 1 2 . 1 1 39 39 ALA N N 39 121.100 121.100 121.842 -0.742 17821 498 1 2 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.121 -0.111 17821 499 1 2 . 1 1 39 39 ALA C C 39 176.800 176.800 179.550 -2.750 17821 500 1 2 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.245 -3.146 17821 501 1 2 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.314 -3.114 17821 502 1 2 . 1 1 39 39 ALA H H 39 8.040 8.040 8.474 -0.434 17821 503 1 2 . 1 1 40 40 CYS N N 40 117.600 117.600 118.053 -0.453 17821 504 1 2 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.182 -0.002 17821 505 1 2 . 1 1 40 40 CYS C C 40 173.800 173.800 176.843 -3.043 17821 506 1 2 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.797 -4.897 17821 507 1 2 . 1 1 40 40 CYS CB C 40 36.400 36.400 26.072 10.328 17821 508 1 2 . 1 1 40 40 CYS H H 40 7.340 7.340 7.948 -0.608 17821 509 1 2 . 1 1 41 41 ILE N N 41 121.500 121.500 120.643 0.857 17821 510 1 2 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.896 -0.846 17821 511 1 2 . 1 1 41 41 ILE C C 41 176.100 176.100 178.411 -2.311 17821 512 1 2 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.520 -1.120 17821 513 1 2 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.931 -2.631 17821 514 1 2 . 1 1 41 41 ILE H H 41 8.230 8.230 8.454 -0.224 17821 515 1 2 . 1 1 42 42 ILE N N 42 119.200 119.200 120.076 -0.876 17821 516 1 2 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.703 -0.013 17821 517 1 2 . 1 1 42 42 ILE C C 42 174.200 174.200 177.434 -3.234 17821 518 1 2 . 1 1 42 42 ILE CA C 42 61.300 61.300 64.567 -3.268 17821 519 1 2 . 1 1 42 42 ILE CB C 42 35.800 35.800 37.933 -2.133 17821 520 1 2 . 1 1 42 42 ILE H H 42 7.770 7.770 8.073 -0.303 17821 521 1 2 . 1 1 43 43 GLU N N 43 118.700 118.700 119.307 -0.607 17821 522 1 2 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.265 -0.215 17821 523 1 2 . 1 1 43 43 GLU C C 43 175.300 175.300 177.911 -2.611 17821 524 1 2 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.483 -2.183 17821 525 1 2 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.345 -2.145 17821 526 1 2 . 1 1 43 43 GLU H H 43 7.600 7.600 8.046 -0.446 17821 527 1 2 . 1 1 44 44 LYS N N 44 114.600 114.600 116.170 -1.570 17821 528 1 2 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.326 0.124 17821 529 1 2 . 1 1 44 44 LYS C C 44 174.500 174.500 176.339 -1.839 17821 530 1 2 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.434 -2.634 17821 531 1 2 . 1 1 44 44 LYS CB C 44 32.700 32.700 34.677 -1.977 17821 532 1 2 . 1 1 44 44 LYS H H 44 8.860 8.860 8.311 0.549 17821 533 1 2 . 1 1 45 45 GLY N N 45 108.700 108.700 108.160 0.540 17821 534 1 2 . 1 1 45 45 GLY C C 45 171.000 171.000 174.895 -3.895 17821 535 1 2 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.459 -3.159 17821 536 1 2 . 1 1 45 45 GLY H H 45 7.690 7.690 7.751 -0.061 17821 537 1 2 . 1 1 46 46 GLU N N 46 120.800 120.800 121.413 -0.613 17821 538 1 2 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.951 -0.511 17821 539 1 2 . 1 1 46 46 GLU C C 46 175.800 175.800 177.002 -1.202 17821 540 1 2 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.271 -0.971 17821 541 1 2 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.607 -2.507 17821 542 1 2 . 1 1 46 46 GLU H H 46 8.900 8.900 8.861 0.039 17821 543 1 2 . 1 1 47 47 GLU N N 47 118.700 118.700 116.209 2.491 17821 544 1 2 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.199 -0.259 17821 545 1 2 . 1 1 47 47 GLU C C 47 174.300 174.300 177.887 -3.587 17821 546 1 2 . 1 1 47 47 GLU CA C 47 55.900 55.900 57.189 -1.289 17821 547 1 2 . 1 1 47 47 GLU CB C 47 25.500 25.500 29.255 -3.755 17821 548 1 2 . 1 1 47 47 GLU H H 47 9.530 9.530 8.672 0.858 17821 549 1 2 . 1 1 48 48 HIS N N 48 117.500 117.500 116.532 0.968 17821 550 1 2 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.738 0.132 17821 551 1 2 . 1 1 48 48 HIS C C 48 173.300 173.300 174.997 -1.697 17821 552 1 2 . 1 1 48 48 HIS CA C 48 53.100 53.100 57.504 -4.404 17821 553 1 2 . 1 1 48 48 HIS CB C 48 28.900 28.900 30.911 -2.011 17821 554 1 2 . 1 1 48 48 HIS H H 48 7.500 7.500 7.936 -0.436 17821 555 1 2 . 1 1 49 49 CYS N N 49 116.100 116.100 118.061 -1.961 17821 556 1 2 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.894 0.156 17821 557 1 2 . 1 1 49 49 CYS C C 49 173.700 173.700 176.277 -2.577 17821 558 1 2 . 1 1 49 49 CYS CA C 49 51.700 51.700 57.859 -6.159 17821 559 1 2 . 1 1 49 49 CYS CB C 49 39.500 39.500 26.282 13.218 17821 560 1 2 . 1 1 49 49 CYS H H 49 7.460 7.460 7.523 -0.063 17821 561 1 2 . 1 1 50 50 GLY N N 50 112.900 112.900 110.155 2.745 17821 562 1 2 . 1 1 50 50 GLY C C 50 172.500 172.500 175.965 -3.465 17821 563 1 2 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.397 -2.097 17821 564 1 2 . 1 1 50 50 GLY H H 50 9.150 9.150 8.749 0.401 17821 565 1 2 . 1 1 51 51 HIS C C 51 175.400 175.400 177.162 -1.762 17821 566 1 2 . 1 1 51 51 HIS CA C 51 56.400 56.400 58.704 -2.304 17821 567 1 2 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.682 -3.682 17821 568 1 2 . 1 1 52 52 LEU N N 52 122.000 122.000 122.198 -0.198 17821 569 1 2 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.200 -0.090 17821 570 1 2 . 1 1 52 52 LEU C C 52 177.700 177.700 178.922 -1.222 17821 571 1 2 . 1 1 52 52 LEU CA C 52 53.800 53.800 57.230 -3.430 17821 572 1 2 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.272 -1.772 17821 573 1 2 . 1 1 52 52 LEU H H 52 6.810 6.810 7.628 -0.818 17821 574 1 2 . 1 1 53 53 ILE N N 53 124.200 124.200 119.929 4.271 17821 575 1 2 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.590 -0.160 17821 576 1 2 . 1 1 53 53 ILE C C 53 176.100 176.100 178.078 -1.978 17821 577 1 2 . 1 1 53 53 ILE CA C 53 63.200 63.200 66.158 -2.958 17821 578 1 2 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.819 -1.919 17821 579 1 2 . 1 1 53 53 ILE H H 53 8.170 8.170 8.747 -0.577 17821 580 1 2 . 1 1 54 54 GLU N N 54 120.600 120.600 120.326 0.274 17821 581 1 2 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.904 0.126 17821 582 1 2 . 1 1 54 54 GLU C C 54 175.400 175.400 178.439 -3.039 17821 583 1 2 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.858 -3.758 17821 584 1 2 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.659 -3.659 17821 585 1 2 . 1 1 54 54 GLU H H 54 8.380 8.380 8.100 0.280 17821 586 1 2 . 1 1 55 55 ALA N N 55 120.800 120.800 121.509 -0.709 17821 587 1 2 . 1 1 55 55 ALA HA H 55 4.120 4.120 4.031 0.089 17821 588 1 2 . 1 1 55 55 ALA C C 55 177.900 177.900 179.160 -1.260 17821 589 1 2 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.264 -3.064 17821 590 1 2 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.151 -3.051 17821 591 1 2 . 1 1 55 55 ALA H H 55 7.880 7.880 8.009 -0.129 17821 592 1 2 . 1 1 56 56 HIS N N 56 117.400 117.400 119.577 -2.177 17821 593 1 2 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.329 -0.029 17821 594 1 2 . 1 1 56 56 HIS C C 56 173.500 173.500 177.488 -3.988 17821 595 1 2 . 1 1 56 56 HIS CA C 56 57.000 57.000 60.066 -3.066 17821 596 1 2 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.445 -2.145 17821 597 1 2 . 1 1 56 56 HIS H H 56 7.640 7.640 8.658 -1.018 17821 598 1 2 . 1 1 57 57 LYS N N 57 119.200 119.200 119.224 -0.024 17821 599 1 2 . 1 1 57 57 LYS HA H 57 3.600 3.600 4.023 -0.423 17821 600 1 2 . 1 1 57 57 LYS C C 57 176.200 176.200 179.011 -2.811 17821 601 1 2 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.892 -2.292 17821 602 1 2 . 1 1 57 57 LYS CB C 57 29.500 29.500 32.183 -2.683 17821 603 1 2 . 1 1 57 57 LYS H H 57 7.620 7.620 8.481 -0.861 17821 604 1 2 . 1 1 58 58 GLU N N 58 118.400 118.400 119.972 -1.572 17821 605 1 2 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.085 -0.115 17821 606 1 2 . 1 1 58 58 GLU C C 58 176.200 176.200 179.113 -2.913 17821 607 1 2 . 1 1 58 58 GLU CA C 58 56.200 56.200 58.912 -2.712 17821 608 1 2 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.367 -3.067 17821 609 1 2 . 1 1 58 58 GLU H H 58 8.490 8.490 8.310 0.180 17821 610 1 2 . 1 1 59 59 SER N N 59 116.100 116.100 116.172 -0.072 17821 611 1 2 . 1 1 59 59 SER HA H 59 4.150 4.150 4.132 0.018 17821 612 1 2 . 1 1 59 59 SER CA C 59 58.400 58.400 61.949 -3.549 17821 613 1 2 . 1 1 59 59 SER CB C 59 60.300 60.300 63.114 -2.814 17821 614 1 2 . 1 1 59 59 SER H H 59 7.790 7.790 8.270 -0.480 17821 615 1 2 . 1 1 60 60 MET N N 60 117.500 117.500 118.569 -1.069 17821 616 1 2 . 1 1 60 60 MET HA H 60 4.170 4.170 4.125 0.045 17821 617 1 2 . 1 1 60 60 MET C C 60 176.400 176.400 177.734 -1.334 17821 618 1 2 . 1 1 60 60 MET CA C 60 54.400 54.400 55.419 -1.019 17821 619 1 2 . 1 1 60 60 MET CB C 60 29.100 29.100 31.338 -2.238 17821 620 1 2 . 1 1 60 60 MET H H 60 7.880 7.880 8.057 -0.177 17821 621 1 2 . 1 1 61 61 ARG N N 61 121.300 121.300 121.166 0.134 17821 622 1 2 . 1 1 61 61 ARG HA H 61 4.170 4.170 3.958 0.212 17821 623 1 2 . 1 1 61 61 ARG C C 61 177.500 177.500 178.794 -1.294 17821 624 1 2 . 1 1 61 61 ARG CA C 61 56.100 56.100 59.211 -3.111 17821 625 1 2 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.053 -2.553 17821 626 1 2 . 1 1 61 61 ARG H H 61 8.290 8.290 8.375 -0.085 17821 627 1 2 . 1 1 62 62 ALA N N 62 123.200 123.200 123.517 -0.317 17821 628 1 2 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.099 -0.029 17821 629 1 2 . 1 1 62 62 ALA C C 62 176.400 176.400 178.657 -2.257 17821 630 1 2 . 1 1 62 62 ALA CA C 62 51.500 51.500 54.392 -2.892 17821 631 1 2 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.215 -3.115 17821 632 1 2 . 1 1 62 62 ALA H H 62 7.950 7.950 7.852 0.098 17821 633 1 2 . 1 1 63 63 LEU N N 63 117.500 117.500 115.805 1.695 17821 634 1 2 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.110 0.090 17821 635 1 2 . 1 1 63 63 LEU C C 63 174.400 174.400 177.356 -2.956 17821 636 1 2 . 1 1 63 63 LEU CA C 63 52.900 52.900 53.935 -1.035 17821 637 1 2 . 1 1 63 63 LEU CB C 63 39.800 39.800 40.368 -0.568 17821 638 1 2 . 1 1 63 63 LEU H H 63 7.450 7.450 6.905 0.545 17821 639 1 2 . 1 1 64 64 GLY N N 64 106.300 106.300 106.230 0.070 17821 640 1 2 . 1 1 64 64 GLY C C 64 171.400 171.400 175.088 -3.688 17821 641 1 2 . 1 1 64 64 GLY CA C 64 42.100 42.100 46.070 -3.970 17821 642 1 2 . 1 1 64 64 GLY H H 64 7.780 7.780 7.620 0.160 17821 643 1 2 . 1 1 65 65 PHE N N 65 119.800 119.800 115.200 4.600 17821 644 1 2 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.965 -0.495 17821 645 1 2 . 1 1 65 65 PHE C C 65 172.300 172.300 174.960 -2.660 17821 646 1 2 . 1 1 65 65 PHE CA C 65 54.900 54.900 55.963 -1.063 17821 647 1 2 . 1 1 65 65 PHE CB C 65 36.900 36.900 39.189 -2.289 17821 648 1 2 . 1 1 65 65 PHE H H 65 7.840 7.840 7.597 0.243 17821 649 1 2 . 1 1 66 66 LYS N N 66 124.000 124.000 120.743 3.257 17821 650 1 2 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.517 -0.257 17821 651 1 2 . 1 1 66 66 LYS C C 66 172.200 172.200 175.565 -3.365 17821 652 1 2 . 1 1 66 66 LYS CA C 66 53.200 53.200 57.176 -3.976 17821 653 1 2 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.693 -4.393 17821 654 1 2 . 1 1 66 66 LYS H H 66 8.370 8.370 8.363 0.007 17821 655 1 3 . 1 1 4 4 THR N N 4 117.400 117.400 114.582 2.818 17821 656 1 3 . 1 1 4 4 THR HA H 4 4.130 4.130 4.315 -0.185 17821 657 1 3 . 1 1 4 4 THR C C 4 170.800 170.800 174.003 -3.203 17821 658 1 3 . 1 1 4 4 THR CA C 4 58.800 58.800 62.624 -3.824 17821 659 1 3 . 1 1 4 4 THR CB C 4 67.000 67.000 69.375 -2.375 17821 660 1 3 . 1 1 4 4 THR H H 4 7.980 7.980 8.255 -0.275 17821 661 1 3 . 1 1 5 5 MET N N 5 124.400 124.400 122.823 1.577 17821 662 1 3 . 1 1 5 5 MET C C 5 171.200 171.200 174.189 -2.989 17821 663 1 3 . 1 1 5 5 MET CA C 5 50.400 50.400 53.118 -2.718 17821 664 1 3 . 1 1 5 5 MET CB C 5 29.600 29.600 33.217 -3.617 17821 665 1 3 . 1 1 5 5 MET H H 5 8.250 8.250 8.435 -0.185 17821 666 1 3 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.445 -0.165 17821 667 1 3 . 1 1 6 6 PRO CA C 6 60.500 60.500 63.529 -3.029 17821 668 1 3 . 1 1 6 6 PRO CB C 6 29.200 29.200 32.054 -2.854 17821 669 1 3 . 1 1 7 7 GLY N N 7 109.000 109.000 110.240 -1.240 17821 670 1 3 . 1 1 7 7 GLY C C 7 171.200 171.200 174.965 -3.765 17821 671 1 3 . 1 1 7 7 GLY CA C 7 42.400 42.400 45.154 -2.754 17821 672 1 3 . 1 1 7 7 GLY H H 7 8.360 8.360 8.635 -0.275 17821 673 1 3 . 1 1 8 8 LEU N N 8 121.700 121.700 122.711 -1.011 17821 674 1 3 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.578 -0.318 17821 675 1 3 . 1 1 8 8 LEU C C 8 174.600 174.600 176.039 -1.439 17821 676 1 3 . 1 1 8 8 LEU CA C 8 52.300 52.300 54.614 -2.313 17821 677 1 3 . 1 1 8 8 LEU CB C 8 39.400 39.400 39.532 -0.132 17821 678 1 3 . 1 1 8 8 LEU H H 8 7.920 7.920 8.193 -0.273 17821 679 1 3 . 1 1 9 9 VAL N N 9 120.900 120.900 117.116 3.784 17821 680 1 3 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.538 -0.558 17821 681 1 3 . 1 1 9 9 VAL C C 9 172.900 172.900 174.529 -1.629 17821 682 1 3 . 1 1 9 9 VAL CA C 9 59.400 59.400 60.916 -1.516 17821 683 1 3 . 1 1 9 9 VAL CB C 9 30.000 30.000 34.812 -4.812 17821 684 1 3 . 1 1 9 9 VAL H H 9 8.050 8.050 7.416 0.634 17821 685 1 3 . 1 1 10 10 ASP N N 10 124.300 124.300 127.668 -3.368 17821 686 1 3 . 1 1 10 10 ASP HA H 10 4.470 4.470 5.059 -0.589 17821 687 1 3 . 1 1 10 10 ASP C C 10 173.100 173.100 175.264 -2.164 17821 688 1 3 . 1 1 10 10 ASP CA C 10 51.500 51.500 54.312 -2.812 17821 689 1 3 . 1 1 10 10 ASP CB C 10 38.300 38.300 41.151 -2.851 17821 690 1 3 . 1 1 10 10 ASP H H 10 8.300 8.300 8.642 -0.342 17821 691 1 3 . 1 1 11 11 SER N N 11 116.400 116.400 116.871 -0.471 17821 692 1 3 . 1 1 11 11 SER HA H 11 4.290 4.290 4.616 -0.326 17821 693 1 3 . 1 1 11 11 SER C C 11 171.200 171.200 173.755 -2.555 17821 694 1 3 . 1 1 11 11 SER CA C 11 55.500 55.500 57.826 -2.326 17821 695 1 3 . 1 1 11 11 SER CB C 11 60.900 60.900 63.885 -2.985 17821 696 1 3 . 1 1 11 11 SER H H 11 8.130 8.130 8.524 -0.394 17821 697 1 3 . 1 1 12 12 ASN N N 12 121.600 121.600 122.034 -0.434 17821 698 1 3 . 1 1 12 12 ASN HA H 12 4.230 4.230 4.945 -0.715 17821 699 1 3 . 1 1 12 12 ASN C C 12 170.000 170.000 173.928 -3.928 17821 700 1 3 . 1 1 12 12 ASN CA C 12 56.500 56.500 52.260 4.240 17821 701 1 3 . 1 1 12 12 ASN CB C 12 36.000 36.000 38.592 -2.592 17821 702 1 3 . 1 1 12 12 ASN H H 12 8.360 8.360 7.971 0.389 17821 703 1 3 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.513 -0.223 17821 704 1 3 . 1 1 13 13 PRO CA C 13 60.300 60.300 62.627 -2.327 17821 705 1 3 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.190 -2.990 17821 706 1 3 . 1 1 14 14 ALA N N 14 125.700 125.700 126.261 -0.561 17821 707 1 3 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.378 0.032 17821 708 1 3 . 1 1 14 14 ALA C C 14 172.200 172.200 176.738 -4.538 17821 709 1 3 . 1 1 14 14 ALA CA C 14 47.500 47.500 50.931 -3.431 17821 710 1 3 . 1 1 14 14 ALA CB C 14 15.100 15.100 18.822 -3.722 17821 711 1 3 . 1 1 14 14 ALA H H 14 8.260 8.260 8.279 -0.019 17821 712 1 3 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.576 -0.296 17821 713 1 3 . 1 1 16 16 PRO CA C 16 60.500 60.500 63.008 -2.508 17821 714 1 3 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.414 -3.214 17821 715 1 3 . 1 1 17 17 GLU N N 17 120.600 120.600 118.511 2.089 17821 716 1 3 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.360 -0.240 17821 717 1 3 . 1 1 17 17 GLU C C 17 173.900 173.900 176.315 -2.415 17821 718 1 3 . 1 1 17 17 GLU CA C 17 54.100 54.100 56.526 -2.426 17821 719 1 3 . 1 1 17 17 GLU CB C 17 27.100 27.100 30.261 -3.161 17821 720 1 3 . 1 1 17 17 GLU H H 17 8.550 8.550 8.646 -0.096 17821 721 1 3 . 1 1 18 18 SER N N 18 116.400 116.400 117.867 -1.467 17821 722 1 3 . 1 1 18 18 SER HA H 18 4.310 4.310 4.620 -0.310 17821 723 1 3 . 1 1 18 18 SER C C 18 171.900 171.900 174.191 -2.291 17821 724 1 3 . 1 1 18 18 SER CA C 18 55.600 55.600 58.075 -2.475 17821 725 1 3 . 1 1 18 18 SER CB C 18 60.800 60.800 63.456 -2.656 17821 726 1 3 . 1 1 18 18 SER H H 18 8.240 8.240 8.235 0.005 17821 727 1 3 . 1 1 19 19 GLN N N 19 122.300 122.300 122.649 -0.349 17821 728 1 3 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.492 -0.292 17821 729 1 3 . 1 1 19 19 GLN C C 19 173.100 173.100 174.930 -1.830 17821 730 1 3 . 1 1 19 19 GLN CA C 19 53.000 53.000 55.846 -2.846 17821 731 1 3 . 1 1 19 19 GLN CB C 19 26.500 26.500 29.802 -3.301 17821 732 1 3 . 1 1 19 19 GLN H H 19 8.310 8.310 8.700 -0.390 17821 733 1 3 . 1 1 20 20 GLU N N 20 121.600 121.600 120.582 1.018 17821 734 1 3 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.625 -0.335 17821 735 1 3 . 1 1 20 20 GLU C C 20 173.500 173.500 175.715 -2.215 17821 736 1 3 . 1 1 20 20 GLU CA C 20 53.900 53.900 55.945 -2.045 17821 737 1 3 . 1 1 20 20 GLU CB C 20 27.400 27.400 30.917 -3.517 17821 738 1 3 . 1 1 20 20 GLU H H 20 8.240 8.240 8.117 0.123 17821 739 1 3 . 1 1 21 21 LYS N N 21 122.900 122.900 121.791 1.109 17821 740 1 3 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.357 -0.177 17821 741 1 3 . 1 1 21 21 LYS C C 21 173.400 173.400 175.241 -1.841 17821 742 1 3 . 1 1 21 21 LYS CA C 21 53.300 53.300 55.877 -2.576 17821 743 1 3 . 1 1 21 21 LYS CB C 21 29.800 29.800 33.969 -4.169 17821 744 1 3 . 1 1 21 21 LYS H H 21 8.260 8.260 8.439 -0.179 17821 745 1 3 . 1 1 22 22 LYS N N 22 124.000 124.000 126.062 -2.062 17821 746 1 3 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.381 0.069 17821 747 1 3 . 1 1 22 22 LYS C C 22 171.500 171.500 175.166 -3.666 17821 748 1 3 . 1 1 22 22 LYS CA C 22 51.200 51.200 55.336 -4.136 17821 749 1 3 . 1 1 22 22 LYS CB C 22 29.500 29.500 32.498 -2.998 17821 750 1 3 . 1 1 22 22 LYS H H 22 8.220 8.220 8.358 -0.138 17821 751 1 3 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.383 -0.093 17821 752 1 3 . 1 1 23 23 PRO CA C 23 60.100 60.100 62.436 -2.336 17821 753 1 3 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.277 -3.077 17821 754 1 3 . 1 1 24 24 LEU N N 24 122.700 122.700 122.577 0.123 17821 755 1 3 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.458 -0.298 17821 756 1 3 . 1 1 24 24 LEU C C 24 174.400 174.400 176.652 -2.252 17821 757 1 3 . 1 1 24 24 LEU CA C 24 52.400 52.400 54.849 -2.450 17821 758 1 3 . 1 1 24 24 LEU CB C 24 39.600 39.600 40.607 -1.007 17821 759 1 3 . 1 1 24 24 LEU H H 24 8.270 8.270 8.388 -0.118 17821 760 1 3 . 1 1 25 25 LYS N N 25 123.400 123.400 125.714 -2.314 17821 761 1 3 . 1 1 25 25 LYS C C 25 171.600 171.600 174.204 -2.604 17821 762 1 3 . 1 1 25 25 LYS CA C 25 50.900 50.900 53.795 -2.895 17821 763 1 3 . 1 1 25 25 LYS CB C 25 29.800 29.800 31.985 -2.185 17821 764 1 3 . 1 1 25 25 LYS H H 25 8.180 8.180 8.352 -0.172 17821 765 1 3 . 1 1 28 28 CYS CA C 28 46.000 46.000 59.796 -13.796 17821 766 1 3 . 1 1 28 28 CYS CB C 28 31.000 31.000 24.626 6.374 17821 767 1 3 . 1 1 29 29 ALA N N 29 123.800 123.800 121.468 2.332 17821 768 1 3 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.759 -0.609 17821 769 1 3 . 1 1 29 29 ALA C C 29 173.200 173.200 175.203 -2.003 17821 770 1 3 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.429 -1.729 17821 771 1 3 . 1 1 29 29 ALA CB C 29 17.600 17.600 21.944 -4.344 17821 772 1 3 . 1 1 29 29 ALA H H 29 8.050 8.050 7.635 0.415 17821 773 1 3 . 1 1 30 30 SER N N 30 112.800 112.800 115.734 -2.934 17821 774 1 3 . 1 1 30 30 SER HA H 30 4.580 4.580 5.011 -0.431 17821 775 1 3 . 1 1 30 30 SER C C 30 173.300 173.300 174.088 -0.788 17821 776 1 3 . 1 1 30 30 SER CA C 30 52.600 52.600 55.002 -2.402 17821 777 1 3 . 1 1 30 30 SER CB C 30 59.400 59.400 63.364 -3.963 17821 778 1 3 . 1 1 30 30 SER H H 30 8.270 8.270 8.741 -0.471 17821 779 1 3 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.199 -0.039 17821 780 1 3 . 1 1 31 31 PRO CA C 31 61.800 61.800 65.300 -3.500 17821 781 1 3 . 1 1 31 31 PRO CB C 31 29.300 29.300 31.991 -2.691 17821 782 1 3 . 1 1 32 32 GLU N N 32 119.100 119.100 118.276 0.824 17821 783 1 3 . 1 1 32 32 GLU HA H 32 4.060 4.060 4.115 -0.055 17821 784 1 3 . 1 1 32 32 GLU C C 32 177.300 177.300 178.654 -1.354 17821 785 1 3 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.890 -2.990 17821 786 1 3 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.556 -2.557 17821 787 1 3 . 1 1 32 32 GLU H H 32 8.720 8.720 8.851 -0.131 17821 788 1 3 . 1 1 33 33 THR N N 33 110.800 110.800 113.127 -2.327 17821 789 1 3 . 1 1 33 33 THR HA H 33 4.040 4.040 4.071 -0.031 17821 790 1 3 . 1 1 33 33 THR C C 33 176.000 176.000 176.484 -0.484 17821 791 1 3 . 1 1 33 33 THR CA C 33 61.700 61.700 65.578 -3.878 17821 792 1 3 . 1 1 33 33 THR CB C 33 64.100 64.100 68.711 -4.611 17821 793 1 3 . 1 1 33 33 THR H H 33 7.620 7.620 7.688 -0.068 17821 794 1 3 . 1 1 34 34 LYS N N 34 127.100 127.100 122.611 4.489 17821 795 1 3 . 1 1 34 34 LYS HA H 34 2.920 2.920 3.832 -0.912 17821 796 1 3 . 1 1 34 34 LYS C C 34 174.300 174.300 178.774 -4.474 17821 797 1 3 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.767 -2.467 17821 798 1 3 . 1 1 34 34 LYS CB C 34 30.000 30.000 32.542 -2.542 17821 799 1 3 . 1 1 34 34 LYS H H 34 7.740 7.740 8.312 -0.572 17821 800 1 3 . 1 1 35 35 LYS N N 35 118.500 118.500 118.496 0.004 17821 801 1 3 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.077 -0.187 17821 802 1 3 . 1 1 35 35 LYS C C 35 176.500 176.500 178.942 -2.442 17821 803 1 3 . 1 1 35 35 LYS CA C 35 56.700 56.700 58.980 -2.280 17821 804 1 3 . 1 1 35 35 LYS CB C 35 29.500 29.500 31.986 -2.486 17821 805 1 3 . 1 1 35 35 LYS H H 35 7.880 7.880 7.920 -0.040 17821 806 1 3 . 1 1 36 36 ALA N N 36 120.100 120.100 122.128 -2.028 17821 807 1 3 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.076 -0.036 17821 808 1 3 . 1 1 36 36 ALA C C 36 177.600 177.600 179.573 -1.973 17821 809 1 3 . 1 1 36 36 ALA CA C 36 52.000 52.000 55.134 -3.134 17821 810 1 3 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.311 -2.911 17821 811 1 3 . 1 1 36 36 ALA H H 36 7.490 7.490 8.143 -0.653 17821 812 1 3 . 1 1 37 37 ARG N N 37 118.500 118.500 119.053 -0.553 17821 813 1 3 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.866 -0.246 17821 814 1 3 . 1 1 37 37 ARG C C 37 174.100 174.100 177.972 -3.872 17821 815 1 3 . 1 1 37 37 ARG CA C 37 56.600 56.600 59.844 -3.244 17821 816 1 3 . 1 1 37 37 ARG CB C 37 27.100 27.100 30.046 -2.946 17821 817 1 3 . 1 1 37 37 ARG H H 37 7.630 7.630 8.418 -0.788 17821 818 1 3 . 1 1 38 38 ASP N N 38 120.200 120.200 119.222 0.978 17821 819 1 3 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.345 -0.075 17821 820 1 3 . 1 1 38 38 ASP C C 38 175.500 175.500 178.576 -3.076 17821 821 1 3 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.171 -2.471 17821 822 1 3 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.277 -4.077 17821 823 1 3 . 1 1 38 38 ASP H H 38 8.680 8.680 8.074 0.606 17821 824 1 3 . 1 1 39 39 ALA N N 39 121.100 121.100 122.327 -1.227 17821 825 1 3 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.126 -0.116 17821 826 1 3 . 1 1 39 39 ALA C C 39 176.800 176.800 179.683 -2.883 17821 827 1 3 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.209 -3.110 17821 828 1 3 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.313 -3.113 17821 829 1 3 . 1 1 39 39 ALA H H 39 8.040 8.040 8.211 -0.171 17821 830 1 3 . 1 1 40 40 CYS N N 40 117.600 117.600 118.057 -0.457 17821 831 1 3 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.226 -0.046 17821 832 1 3 . 1 1 40 40 CYS C C 40 173.800 173.800 176.731 -2.931 17821 833 1 3 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.614 -4.714 17821 834 1 3 . 1 1 40 40 CYS CB C 40 36.400 36.400 26.066 10.334 17821 835 1 3 . 1 1 40 40 CYS H H 40 7.340 7.340 8.091 -0.751 17821 836 1 3 . 1 1 41 41 ILE N N 41 121.500 121.500 121.183 0.317 17821 837 1 3 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.828 -0.778 17821 838 1 3 . 1 1 41 41 ILE C C 41 176.100 176.100 178.434 -2.334 17821 839 1 3 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.756 -1.356 17821 840 1 3 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.835 -2.535 17821 841 1 3 . 1 1 41 41 ILE H H 41 8.230 8.230 8.321 -0.091 17821 842 1 3 . 1 1 42 42 ILE N N 42 119.200 119.200 119.915 -0.715 17821 843 1 3 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.645 0.045 17821 844 1 3 . 1 1 42 42 ILE C C 42 174.200 174.200 177.769 -3.569 17821 845 1 3 . 1 1 42 42 ILE CA C 42 61.300 61.300 64.969 -3.669 17821 846 1 3 . 1 1 42 42 ILE CB C 42 35.800 35.800 37.882 -2.082 17821 847 1 3 . 1 1 42 42 ILE H H 42 7.770 7.770 8.063 -0.293 17821 848 1 3 . 1 1 43 43 GLU N N 43 118.700 118.700 119.593 -0.893 17821 849 1 3 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.189 -0.139 17821 850 1 3 . 1 1 43 43 GLU C C 43 175.300 175.300 177.804 -2.504 17821 851 1 3 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.819 -2.519 17821 852 1 3 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.300 -2.100 17821 853 1 3 . 1 1 43 43 GLU H H 43 7.600 7.600 7.870 -0.270 17821 854 1 3 . 1 1 44 44 LYS N N 44 114.600 114.600 114.792 -0.192 17821 855 1 3 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.550 -0.100 17821 856 1 3 . 1 1 44 44 LYS C C 44 174.500 174.500 175.836 -1.336 17821 857 1 3 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.305 -2.505 17821 858 1 3 . 1 1 44 44 LYS CB C 44 32.700 32.700 35.599 -2.899 17821 859 1 3 . 1 1 44 44 LYS H H 44 8.860 8.860 8.474 0.386 17821 860 1 3 . 1 1 45 45 GLY N N 45 108.700 108.700 108.711 -0.011 17821 861 1 3 . 1 1 45 45 GLY C C 45 171.000 171.000 174.715 -3.715 17821 862 1 3 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.483 -3.183 17821 863 1 3 . 1 1 45 45 GLY H H 45 7.690 7.690 7.641 0.049 17821 864 1 3 . 1 1 46 46 GLU N N 46 120.800 120.800 122.514 -1.714 17821 865 1 3 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.843 -0.403 17821 866 1 3 . 1 1 46 46 GLU C C 46 175.800 175.800 178.047 -2.247 17821 867 1 3 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.702 -1.402 17821 868 1 3 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.589 -2.489 17821 869 1 3 . 1 1 46 46 GLU H H 46 8.900 8.900 8.856 0.044 17821 870 1 3 . 1 1 47 47 GLU N N 47 118.700 118.700 117.070 1.630 17821 871 1 3 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.009 -0.069 17821 872 1 3 . 1 1 47 47 GLU C C 47 174.300 174.300 177.458 -3.158 17821 873 1 3 . 1 1 47 47 GLU CA C 47 55.900 55.900 57.639 -1.739 17821 874 1 3 . 1 1 47 47 GLU CB C 47 25.500 25.500 28.623 -3.123 17821 875 1 3 . 1 1 47 47 GLU H H 47 9.530 9.530 8.664 0.866 17821 876 1 3 . 1 1 48 48 HIS N N 48 117.500 117.500 114.578 2.922 17821 877 1 3 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.830 0.040 17821 878 1 3 . 1 1 48 48 HIS C C 48 173.300 173.300 175.249 -1.949 17821 879 1 3 . 1 1 48 48 HIS CA C 48 53.100 53.100 55.758 -2.658 17821 880 1 3 . 1 1 48 48 HIS CB C 48 28.900 28.900 30.934 -2.034 17821 881 1 3 . 1 1 48 48 HIS H H 48 7.500 7.500 7.549 -0.049 17821 882 1 3 . 1 1 49 49 CYS N N 49 116.100 116.100 119.514 -3.414 17821 883 1 3 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.816 0.234 17821 884 1 3 . 1 1 49 49 CYS C C 49 173.700 173.700 175.535 -1.835 17821 885 1 3 . 1 1 49 49 CYS CA C 49 51.700 51.700 57.731 -6.031 17821 886 1 3 . 1 1 49 49 CYS CB C 49 39.500 39.500 27.594 11.906 17821 887 1 3 . 1 1 49 49 CYS H H 49 7.460 7.460 7.645 -0.185 17821 888 1 3 . 1 1 50 50 GLY N N 50 112.900 112.900 109.836 3.064 17821 889 1 3 . 1 1 50 50 GLY C C 50 172.500 172.500 175.220 -2.720 17821 890 1 3 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.395 -2.095 17821 891 1 3 . 1 1 50 50 GLY H H 50 9.150 9.150 8.591 0.559 17821 892 1 3 . 1 1 51 51 HIS C C 51 175.400 175.400 177.020 -1.620 17821 893 1 3 . 1 1 51 51 HIS CA C 51 56.400 56.400 57.892 -1.492 17821 894 1 3 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.754 -3.754 17821 895 1 3 . 1 1 52 52 LEU N N 52 122.000 122.000 121.988 0.012 17821 896 1 3 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.140 -0.030 17821 897 1 3 . 1 1 52 52 LEU C C 52 177.700 177.700 178.265 -0.565 17821 898 1 3 . 1 1 52 52 LEU CA C 52 53.800 53.800 57.198 -3.398 17821 899 1 3 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.197 -1.697 17821 900 1 3 . 1 1 52 52 LEU H H 52 6.810 6.810 7.763 -0.953 17821 901 1 3 . 1 1 53 53 ILE N N 53 124.200 124.200 120.146 4.054 17821 902 1 3 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.594 -0.164 17821 903 1 3 . 1 1 53 53 ILE C C 53 176.100 176.100 178.197 -2.097 17821 904 1 3 . 1 1 53 53 ILE CA C 53 63.200 63.200 65.974 -2.774 17821 905 1 3 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.831 -1.931 17821 906 1 3 . 1 1 53 53 ILE H H 53 8.170 8.170 8.354 -0.184 17821 907 1 3 . 1 1 54 54 GLU N N 54 120.600 120.600 120.414 0.186 17821 908 1 3 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.874 0.156 17821 909 1 3 . 1 1 54 54 GLU C C 54 175.400 175.400 178.355 -2.955 17821 910 1 3 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.935 -3.835 17821 911 1 3 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.666 -3.666 17821 912 1 3 . 1 1 54 54 GLU H H 54 8.380 8.380 8.060 0.320 17821 913 1 3 . 1 1 55 55 ALA N N 55 120.800 120.800 121.694 -0.894 17821 914 1 3 . 1 1 55 55 ALA HA H 55 4.120 4.120 3.999 0.121 17821 915 1 3 . 1 1 55 55 ALA C C 55 177.900 177.900 179.315 -1.415 17821 916 1 3 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.340 -3.140 17821 917 1 3 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.101 -3.001 17821 918 1 3 . 1 1 55 55 ALA H H 55 7.880 7.880 7.970 -0.090 17821 919 1 3 . 1 1 56 56 HIS N N 56 117.400 117.400 119.036 -1.636 17821 920 1 3 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.266 0.034 17821 921 1 3 . 1 1 56 56 HIS C C 56 173.500 173.500 177.448 -3.948 17821 922 1 3 . 1 1 56 56 HIS CA C 56 57.000 57.000 59.723 -2.723 17821 923 1 3 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.345 -2.045 17821 924 1 3 . 1 1 56 56 HIS H H 56 7.640 7.640 8.382 -0.742 17821 925 1 3 . 1 1 57 57 LYS N N 57 119.200 119.200 118.995 0.205 17821 926 1 3 . 1 1 57 57 LYS HA H 57 3.600 3.600 3.957 -0.357 17821 927 1 3 . 1 1 57 57 LYS C C 57 176.200 176.200 178.856 -2.656 17821 928 1 3 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.572 -1.972 17821 929 1 3 . 1 1 57 57 LYS CB C 57 29.500 29.500 32.247 -2.747 17821 930 1 3 . 1 1 57 57 LYS H H 57 7.620 7.620 8.295 -0.675 17821 931 1 3 . 1 1 58 58 GLU N N 58 118.400 118.400 120.402 -2.002 17821 932 1 3 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.023 -0.053 17821 933 1 3 . 1 1 58 58 GLU C C 58 176.200 176.200 178.953 -2.753 17821 934 1 3 . 1 1 58 58 GLU CA C 58 56.200 56.200 58.998 -2.798 17821 935 1 3 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.272 -2.972 17821 936 1 3 . 1 1 58 58 GLU H H 58 8.490 8.490 8.609 -0.119 17821 937 1 3 . 1 1 59 59 SER N N 59 116.100 116.100 115.990 0.110 17821 938 1 3 . 1 1 59 59 SER HA H 59 4.150 4.150 4.139 0.011 17821 939 1 3 . 1 1 59 59 SER CA C 59 58.400 58.400 61.582 -3.182 17821 940 1 3 . 1 1 59 59 SER CB C 59 60.300 60.300 63.138 -2.838 17821 941 1 3 . 1 1 59 59 SER H H 59 7.790 7.790 8.071 -0.281 17821 942 1 3 . 1 1 60 60 MET N N 60 117.500 117.500 120.922 -3.422 17821 943 1 3 . 1 1 60 60 MET HA H 60 4.170 4.170 3.804 0.366 17821 944 1 3 . 1 1 60 60 MET C C 60 176.400 176.400 177.692 -1.292 17821 945 1 3 . 1 1 60 60 MET CA C 60 54.400 54.400 57.151 -2.751 17821 946 1 3 . 1 1 60 60 MET CB C 60 29.100 29.100 31.922 -2.822 17821 947 1 3 . 1 1 60 60 MET H H 60 7.880 7.880 8.088 -0.208 17821 948 1 3 . 1 1 61 61 ARG N N 61 121.300 121.300 119.616 1.684 17821 949 1 3 . 1 1 61 61 ARG HA H 61 4.170 4.170 3.913 0.257 17821 950 1 3 . 1 1 61 61 ARG C C 61 177.500 177.500 178.383 -0.883 17821 951 1 3 . 1 1 61 61 ARG CA C 61 56.100 56.100 58.872 -2.772 17821 952 1 3 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.073 -2.573 17821 953 1 3 . 1 1 61 61 ARG H H 61 8.290 8.290 8.177 0.113 17821 954 1 3 . 1 1 62 62 ALA N N 62 123.200 123.200 121.537 1.663 17821 955 1 3 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.109 -0.039 17821 956 1 3 . 1 1 62 62 ALA C C 62 176.400 176.400 179.510 -3.110 17821 957 1 3 . 1 1 62 62 ALA CA C 62 51.500 51.500 54.164 -2.664 17821 958 1 3 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.361 -3.261 17821 959 1 3 . 1 1 62 62 ALA H H 62 7.950 7.950 7.591 0.359 17821 960 1 3 . 1 1 63 63 LEU N N 63 117.500 117.500 115.581 1.919 17821 961 1 3 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.150 0.050 17821 962 1 3 . 1 1 63 63 LEU C C 63 174.400 174.400 177.825 -3.425 17821 963 1 3 . 1 1 63 63 LEU CA C 63 52.900 52.900 55.092 -2.192 17821 964 1 3 . 1 1 63 63 LEU CB C 63 39.800 39.800 41.942 -2.142 17821 965 1 3 . 1 1 63 63 LEU H H 63 7.450 7.450 7.366 0.084 17821 966 1 3 . 1 1 64 64 GLY N N 64 106.300 106.300 105.437 0.863 17821 967 1 3 . 1 1 64 64 GLY C C 64 171.400 171.400 175.271 -3.871 17821 968 1 3 . 1 1 64 64 GLY CA C 64 42.100 42.100 45.846 -3.746 17821 969 1 3 . 1 1 64 64 GLY H H 64 7.780 7.780 7.613 0.167 17821 970 1 3 . 1 1 65 65 PHE N N 65 119.800 119.800 117.329 2.471 17821 971 1 3 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.854 -0.384 17821 972 1 3 . 1 1 65 65 PHE C C 65 172.300 172.300 175.856 -3.556 17821 973 1 3 . 1 1 65 65 PHE CA C 65 54.900 54.900 56.470 -1.570 17821 974 1 3 . 1 1 65 65 PHE CB C 65 36.900 36.900 38.791 -1.891 17821 975 1 3 . 1 1 65 65 PHE H H 65 7.840 7.840 7.708 0.132 17821 976 1 3 . 1 1 66 66 LYS N N 66 124.000 124.000 121.197 2.803 17821 977 1 3 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.355 -0.095 17821 978 1 3 . 1 1 66 66 LYS C C 66 172.200 172.200 175.746 -3.546 17821 979 1 3 . 1 1 66 66 LYS CA C 66 53.200 53.200 57.044 -3.844 17821 980 1 3 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.473 -4.173 17821 981 1 3 . 1 1 66 66 LYS H H 66 8.370 8.370 8.055 0.315 17821 982 1 4 . 1 1 4 4 THR N N 4 117.400 117.400 120.517 -3.117 17821 983 1 4 . 1 1 4 4 THR HA H 4 4.130 4.130 4.471 -0.341 17821 984 1 4 . 1 1 4 4 THR C C 4 170.800 170.800 172.906 -2.106 17821 985 1 4 . 1 1 4 4 THR CA C 4 58.800 58.800 61.528 -2.728 17821 986 1 4 . 1 1 4 4 THR CB C 4 67.000 67.000 70.231 -3.231 17821 987 1 4 . 1 1 4 4 THR H H 4 7.980 7.980 7.907 0.073 17821 988 1 4 . 1 1 5 5 MET N N 5 124.400 124.400 123.481 0.919 17821 989 1 4 . 1 1 5 5 MET C C 5 171.200 171.200 174.565 -3.365 17821 990 1 4 . 1 1 5 5 MET CA C 5 50.400 50.400 53.425 -3.025 17821 991 1 4 . 1 1 5 5 MET CB C 5 29.600 29.600 32.850 -3.250 17821 992 1 4 . 1 1 5 5 MET H H 5 8.250 8.250 8.336 -0.086 17821 993 1 4 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.522 -0.242 17821 994 1 4 . 1 1 6 6 PRO CA C 6 60.500 60.500 62.605 -2.105 17821 995 1 4 . 1 1 6 6 PRO CB C 6 29.200 29.200 32.525 -3.325 17821 996 1 4 . 1 1 7 7 GLY N N 7 109.000 109.000 108.595 0.405 17821 997 1 4 . 1 1 7 7 GLY C C 7 171.200 171.200 175.701 -4.501 17821 998 1 4 . 1 1 7 7 GLY CA C 7 42.400 42.400 46.057 -3.657 17821 999 1 4 . 1 1 7 7 GLY H H 7 8.360 8.360 8.693 -0.333 17821 1000 1 4 . 1 1 8 8 LEU N N 8 121.700 121.700 121.197 0.503 17821 1001 1 4 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.603 -0.343 17821 1002 1 4 . 1 1 8 8 LEU C C 8 174.600 174.600 175.924 -1.324 17821 1003 1 4 . 1 1 8 8 LEU CA C 8 52.300 52.300 54.962 -2.662 17821 1004 1 4 . 1 1 8 8 LEU CB C 8 39.400 39.400 41.514 -2.114 17821 1005 1 4 . 1 1 8 8 LEU H H 8 7.920 7.920 7.682 0.238 17821 1006 1 4 . 1 1 9 9 VAL N N 9 120.900 120.900 115.982 4.918 17821 1007 1 4 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.438 -0.458 17821 1008 1 4 . 1 1 9 9 VAL C C 9 172.900 172.900 174.581 -1.681 17821 1009 1 4 . 1 1 9 9 VAL CA C 9 59.400 59.400 60.765 -1.365 17821 1010 1 4 . 1 1 9 9 VAL CB C 9 30.000 30.000 33.550 -3.550 17821 1011 1 4 . 1 1 9 9 VAL H H 9 8.050 8.050 7.233 0.817 17821 1012 1 4 . 1 1 10 10 ASP N N 10 124.300 124.300 124.508 -0.208 17821 1013 1 4 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.800 -0.330 17821 1014 1 4 . 1 1 10 10 ASP C C 10 173.100 173.100 175.417 -2.317 17821 1015 1 4 . 1 1 10 10 ASP CA C 10 51.500 51.500 53.982 -2.482 17821 1016 1 4 . 1 1 10 10 ASP CB C 10 38.300 38.300 41.900 -3.600 17821 1017 1 4 . 1 1 10 10 ASP H H 10 8.300 8.300 8.456 -0.156 17821 1018 1 4 . 1 1 11 11 SER N N 11 116.400 116.400 116.803 -0.403 17821 1019 1 4 . 1 1 11 11 SER HA H 11 4.290 4.290 4.115 0.175 17821 1020 1 4 . 1 1 11 11 SER C C 11 171.200 171.200 173.445 -2.245 17821 1021 1 4 . 1 1 11 11 SER CA C 11 55.500 55.500 58.629 -3.129 17821 1022 1 4 . 1 1 11 11 SER CB C 11 60.900 60.900 63.780 -2.880 17821 1023 1 4 . 1 1 11 11 SER H H 11 8.130 8.130 8.514 -0.384 17821 1024 1 4 . 1 1 12 12 ASN N N 12 121.600 121.600 121.971 -0.371 17821 1025 1 4 . 1 1 12 12 ASN HA H 12 4.230 4.230 4.892 -0.662 17821 1026 1 4 . 1 1 12 12 ASN C C 12 170.000 170.000 173.995 -3.995 17821 1027 1 4 . 1 1 12 12 ASN CA C 12 56.500 56.500 52.008 4.492 17821 1028 1 4 . 1 1 12 12 ASN CB C 12 36.000 36.000 39.181 -3.181 17821 1029 1 4 . 1 1 12 12 ASN H H 12 8.360 8.360 8.462 -0.102 17821 1030 1 4 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.369 -0.079 17821 1031 1 4 . 1 1 13 13 PRO CA C 13 60.300 60.300 63.200 -2.900 17821 1032 1 4 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.071 -2.871 17821 1033 1 4 . 1 1 14 14 ALA N N 14 125.700 125.700 120.590 5.110 17821 1034 1 4 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.111 0.299 17821 1035 1 4 . 1 1 14 14 ALA C C 14 172.200 172.200 175.820 -3.620 17821 1036 1 4 . 1 1 14 14 ALA CA C 14 47.500 47.500 51.885 -4.385 17821 1037 1 4 . 1 1 14 14 ALA CB C 14 15.100 15.100 17.514 -2.414 17821 1038 1 4 . 1 1 14 14 ALA H H 14 8.260 8.260 8.353 -0.093 17821 1039 1 4 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.505 -0.225 17821 1040 1 4 . 1 1 16 16 PRO CA C 16 60.500 60.500 63.413 -2.913 17821 1041 1 4 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.110 -2.910 17821 1042 1 4 . 1 1 17 17 GLU N N 17 120.600 120.600 121.836 -1.236 17821 1043 1 4 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.547 -0.427 17821 1044 1 4 . 1 1 17 17 GLU C C 17 173.900 173.900 174.711 -0.811 17821 1045 1 4 . 1 1 17 17 GLU CA C 17 54.100 54.100 55.045 -0.945 17821 1046 1 4 . 1 1 17 17 GLU CB C 17 27.100 27.100 31.100 -4.000 17821 1047 1 4 . 1 1 17 17 GLU H H 17 8.550 8.550 8.456 0.094 17821 1048 1 4 . 1 1 18 18 SER N N 18 116.400 116.400 115.418 0.982 17821 1049 1 4 . 1 1 18 18 SER HA H 18 4.310 4.310 4.399 -0.089 17821 1050 1 4 . 1 1 18 18 SER C C 18 171.900 171.900 173.948 -2.048 17821 1051 1 4 . 1 1 18 18 SER CA C 18 55.600 55.600 58.079 -2.479 17821 1052 1 4 . 1 1 18 18 SER CB C 18 60.800 60.800 63.892 -3.092 17821 1053 1 4 . 1 1 18 18 SER H H 18 8.240 8.240 8.342 -0.102 17821 1054 1 4 . 1 1 19 19 GLN N N 19 122.300 122.300 121.019 1.281 17821 1055 1 4 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.590 -0.390 17821 1056 1 4 . 1 1 19 19 GLN C C 19 173.100 173.100 174.814 -1.714 17821 1057 1 4 . 1 1 19 19 GLN CA C 19 53.000 53.000 55.173 -2.173 17821 1058 1 4 . 1 1 19 19 GLN CB C 19 26.500 26.500 30.467 -3.967 17821 1059 1 4 . 1 1 19 19 GLN H H 19 8.310 8.310 8.377 -0.067 17821 1060 1 4 . 1 1 20 20 GLU N N 20 121.600 121.600 121.445 0.155 17821 1061 1 4 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.475 -0.185 17821 1062 1 4 . 1 1 20 20 GLU C C 20 173.500 173.500 175.537 -2.037 17821 1063 1 4 . 1 1 20 20 GLU CA C 20 53.900 53.900 56.439 -2.539 17821 1064 1 4 . 1 1 20 20 GLU CB C 20 27.400 27.400 30.855 -3.455 17821 1065 1 4 . 1 1 20 20 GLU H H 20 8.240 8.240 8.444 -0.204 17821 1066 1 4 . 1 1 21 21 LYS N N 21 122.900 122.900 122.708 0.192 17821 1067 1 4 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.526 -0.346 17821 1068 1 4 . 1 1 21 21 LYS C C 21 173.400 173.400 176.154 -2.754 17821 1069 1 4 . 1 1 21 21 LYS CA C 21 53.300 53.300 55.972 -2.672 17821 1070 1 4 . 1 1 21 21 LYS CB C 21 29.800 29.800 33.391 -3.591 17821 1071 1 4 . 1 1 21 21 LYS H H 21 8.260 8.260 8.415 -0.155 17821 1072 1 4 . 1 1 22 22 LYS N N 22 124.000 124.000 122.971 1.029 17821 1073 1 4 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.741 -0.291 17821 1074 1 4 . 1 1 22 22 LYS C C 22 171.500 171.500 174.838 -3.338 17821 1075 1 4 . 1 1 22 22 LYS CA C 22 51.200 51.200 54.507 -3.307 17821 1076 1 4 . 1 1 22 22 LYS CB C 22 29.500 29.500 31.797 -2.297 17821 1077 1 4 . 1 1 22 22 LYS H H 22 8.220 8.220 8.451 -0.231 17821 1078 1 4 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.542 -0.252 17821 1079 1 4 . 1 1 23 23 PRO CA C 23 60.100 60.100 63.038 -2.938 17821 1080 1 4 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.187 -2.987 17821 1081 1 4 . 1 1 24 24 LEU N N 24 122.700 122.700 119.105 3.595 17821 1082 1 4 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.747 -0.587 17821 1083 1 4 . 1 1 24 24 LEU C C 24 174.400 174.400 176.154 -1.754 17821 1084 1 4 . 1 1 24 24 LEU CA C 24 52.400 52.400 54.282 -1.882 17821 1085 1 4 . 1 1 24 24 LEU CB C 24 39.600 39.600 43.000 -3.400 17821 1086 1 4 . 1 1 24 24 LEU H H 24 8.270 8.270 8.150 0.120 17821 1087 1 4 . 1 1 25 25 LYS N N 25 123.400 123.400 122.524 0.876 17821 1088 1 4 . 1 1 25 25 LYS C C 25 171.600 171.600 174.695 -3.095 17821 1089 1 4 . 1 1 25 25 LYS CA C 25 50.900 50.900 53.961 -3.061 17821 1090 1 4 . 1 1 25 25 LYS CB C 25 29.800 29.800 32.889 -3.089 17821 1091 1 4 . 1 1 25 25 LYS H H 25 8.180 8.180 8.494 -0.314 17821 1092 1 4 . 1 1 28 28 CYS CA C 28 46.000 46.000 59.313 -13.313 17821 1093 1 4 . 1 1 28 28 CYS CB C 28 31.000 31.000 28.850 2.150 17821 1094 1 4 . 1 1 29 29 ALA N N 29 123.800 123.800 128.459 -4.659 17821 1095 1 4 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.595 -0.445 17821 1096 1 4 . 1 1 29 29 ALA C C 29 173.200 173.200 175.788 -2.588 17821 1097 1 4 . 1 1 29 29 ALA CA C 29 49.700 49.700 52.276 -2.576 17821 1098 1 4 . 1 1 29 29 ALA CB C 29 17.600 17.600 21.166 -3.567 17821 1099 1 4 . 1 1 29 29 ALA H H 29 8.050 8.050 8.173 -0.123 17821 1100 1 4 . 1 1 30 30 SER N N 30 112.800 112.800 113.026 -0.226 17821 1101 1 4 . 1 1 30 30 SER HA H 30 4.580 4.580 4.864 -0.284 17821 1102 1 4 . 1 1 30 30 SER C C 30 173.300 173.300 173.916 -0.616 17821 1103 1 4 . 1 1 30 30 SER CA C 30 52.600 52.600 56.533 -3.933 17821 1104 1 4 . 1 1 30 30 SER CB C 30 59.400 59.400 62.766 -3.366 17821 1105 1 4 . 1 1 30 30 SER H H 30 8.270 8.270 8.433 -0.163 17821 1106 1 4 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.277 -0.117 17821 1107 1 4 . 1 1 31 31 PRO CA C 31 61.800 61.800 64.878 -3.078 17821 1108 1 4 . 1 1 31 31 PRO CB C 31 29.300 29.300 31.909 -2.609 17821 1109 1 4 . 1 1 32 32 GLU N N 32 119.100 119.100 117.875 1.225 17821 1110 1 4 . 1 1 32 32 GLU HA H 32 4.060 4.060 4.063 -0.003 17821 1111 1 4 . 1 1 32 32 GLU C C 32 177.300 177.300 178.660 -1.360 17821 1112 1 4 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.735 -2.835 17821 1113 1 4 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.627 -2.627 17821 1114 1 4 . 1 1 32 32 GLU H H 32 8.720 8.720 8.990 -0.270 17821 1115 1 4 . 1 1 33 33 THR N N 33 110.800 110.800 112.915 -2.115 17821 1116 1 4 . 1 1 33 33 THR HA H 33 4.040 4.040 4.088 -0.048 17821 1117 1 4 . 1 1 33 33 THR C C 33 176.000 176.000 176.495 -0.495 17821 1118 1 4 . 1 1 33 33 THR CA C 33 61.700 61.700 65.829 -4.129 17821 1119 1 4 . 1 1 33 33 THR CB C 33 64.100 64.100 68.797 -4.697 17821 1120 1 4 . 1 1 33 33 THR H H 33 7.620 7.620 7.920 -0.300 17821 1121 1 4 . 1 1 34 34 LYS N N 34 127.100 127.100 122.863 4.237 17821 1122 1 4 . 1 1 34 34 LYS HA H 34 2.920 2.920 3.866 -0.946 17821 1123 1 4 . 1 1 34 34 LYS C C 34 174.300 174.300 178.563 -4.263 17821 1124 1 4 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.671 -2.371 17821 1125 1 4 . 1 1 34 34 LYS CB C 34 30.000 30.000 32.474 -2.474 17821 1126 1 4 . 1 1 34 34 LYS H H 34 7.740 7.740 7.593 0.147 17821 1127 1 4 . 1 1 35 35 LYS N N 35 118.500 118.500 118.612 -0.112 17821 1128 1 4 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.059 -0.169 17821 1129 1 4 . 1 1 35 35 LYS C C 35 176.500 176.500 178.979 -2.479 17821 1130 1 4 . 1 1 35 35 LYS CA C 35 56.700 56.700 59.142 -2.442 17821 1131 1 4 . 1 1 35 35 LYS CB C 35 29.500 29.500 31.997 -2.497 17821 1132 1 4 . 1 1 35 35 LYS H H 35 7.880 7.880 8.329 -0.449 17821 1133 1 4 . 1 1 36 36 ALA N N 36 120.100 120.100 121.783 -1.683 17821 1134 1 4 . 1 1 36 36 ALA HA H 36 4.040 4.040 3.996 0.044 17821 1135 1 4 . 1 1 36 36 ALA C C 36 177.600 177.600 179.061 -1.461 17821 1136 1 4 . 1 1 36 36 ALA CA C 36 52.000 52.000 55.124 -3.124 17821 1137 1 4 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.499 -3.099 17821 1138 1 4 . 1 1 36 36 ALA H H 36 7.490 7.490 8.163 -0.673 17821 1139 1 4 . 1 1 37 37 ARG N N 37 118.500 118.500 119.574 -1.074 17821 1140 1 4 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.896 -0.276 17821 1141 1 4 . 1 1 37 37 ARG C C 37 174.100 174.100 177.857 -3.757 17821 1142 1 4 . 1 1 37 37 ARG CA C 37 56.600 56.600 59.854 -3.254 17821 1143 1 4 . 1 1 37 37 ARG CB C 37 27.100 27.100 30.106 -3.006 17821 1144 1 4 . 1 1 37 37 ARG H H 37 7.630 7.630 8.330 -0.700 17821 1145 1 4 . 1 1 38 38 ASP N N 38 120.200 120.200 119.314 0.886 17821 1146 1 4 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.334 -0.064 17821 1147 1 4 . 1 1 38 38 ASP C C 38 175.500 175.500 178.521 -3.021 17821 1148 1 4 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.402 -2.702 17821 1149 1 4 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.472 -4.272 17821 1150 1 4 . 1 1 38 38 ASP H H 38 8.680 8.680 8.215 0.465 17821 1151 1 4 . 1 1 39 39 ALA N N 39 121.100 121.100 122.444 -1.344 17821 1152 1 4 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.094 -0.084 17821 1153 1 4 . 1 1 39 39 ALA C C 39 176.800 176.800 179.454 -2.654 17821 1154 1 4 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.321 -3.220 17821 1155 1 4 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.240 -3.040 17821 1156 1 4 . 1 1 39 39 ALA H H 39 8.040 8.040 8.277 -0.237 17821 1157 1 4 . 1 1 40 40 CYS N N 40 117.600 117.600 118.168 -0.568 17821 1158 1 4 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.147 0.033 17821 1159 1 4 . 1 1 40 40 CYS C C 40 173.800 173.800 177.004 -3.204 17821 1160 1 4 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.786 -4.886 17821 1161 1 4 . 1 1 40 40 CYS CB C 40 36.400 36.400 25.919 10.482 17821 1162 1 4 . 1 1 40 40 CYS H H 40 7.340 7.340 7.969 -0.629 17821 1163 1 4 . 1 1 41 41 ILE N N 41 121.500 121.500 121.085 0.415 17821 1164 1 4 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.839 -0.789 17821 1165 1 4 . 1 1 41 41 ILE C C 41 176.100 176.100 178.423 -2.323 17821 1166 1 4 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.551 -1.151 17821 1167 1 4 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.577 -2.277 17821 1168 1 4 . 1 1 41 41 ILE H H 41 8.230 8.230 8.551 -0.321 17821 1169 1 4 . 1 1 42 42 ILE N N 42 119.200 119.200 120.003 -0.803 17821 1170 1 4 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.720 -0.030 17821 1171 1 4 . 1 1 42 42 ILE C C 42 174.200 174.200 177.949 -3.749 17821 1172 1 4 . 1 1 42 42 ILE CA C 42 61.300 61.300 64.246 -2.946 17821 1173 1 4 . 1 1 42 42 ILE CB C 42 35.800 35.800 36.978 -1.179 17821 1174 1 4 . 1 1 42 42 ILE H H 42 7.770 7.770 8.009 -0.239 17821 1175 1 4 . 1 1 43 43 GLU N N 43 118.700 118.700 119.267 -0.567 17821 1176 1 4 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.143 -0.093 17821 1177 1 4 . 1 1 43 43 GLU C C 43 175.300 175.300 178.172 -2.872 17821 1178 1 4 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.942 -2.642 17821 1179 1 4 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.276 -2.076 17821 1180 1 4 . 1 1 43 43 GLU H H 43 7.600 7.600 8.290 -0.690 17821 1181 1 4 . 1 1 44 44 LYS N N 44 114.600 114.600 115.809 -1.209 17821 1182 1 4 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.526 -0.076 17821 1183 1 4 . 1 1 44 44 LYS C C 44 174.500 174.500 177.093 -2.593 17821 1184 1 4 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.284 -2.484 17821 1185 1 4 . 1 1 44 44 LYS CB C 44 32.700 32.700 34.859 -2.159 17821 1186 1 4 . 1 1 44 44 LYS H H 44 8.860 8.860 8.165 0.695 17821 1187 1 4 . 1 1 45 45 GLY N N 45 108.700 108.700 108.968 -0.268 17821 1188 1 4 . 1 1 45 45 GLY C C 45 171.000 171.000 175.052 -4.052 17821 1189 1 4 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.452 -3.152 17821 1190 1 4 . 1 1 45 45 GLY H H 45 7.690 7.690 8.009 -0.319 17821 1191 1 4 . 1 1 46 46 GLU N N 46 120.800 120.800 122.466 -1.666 17821 1192 1 4 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.769 -0.329 17821 1193 1 4 . 1 1 46 46 GLU C C 46 175.800 175.800 178.432 -2.632 17821 1194 1 4 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.844 -1.544 17821 1195 1 4 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.535 -2.435 17821 1196 1 4 . 1 1 46 46 GLU H H 46 8.900 8.900 8.933 -0.033 17821 1197 1 4 . 1 1 47 47 GLU N N 47 118.700 118.700 119.208 -0.508 17821 1198 1 4 . 1 1 47 47 GLU HA H 47 3.940 3.940 3.990 -0.050 17821 1199 1 4 . 1 1 47 47 GLU C C 47 174.300 174.300 177.974 -3.674 17821 1200 1 4 . 1 1 47 47 GLU CA C 47 55.900 55.900 58.620 -2.720 17821 1201 1 4 . 1 1 47 47 GLU CB C 47 25.500 25.500 28.537 -3.037 17821 1202 1 4 . 1 1 47 47 GLU H H 47 9.530 9.530 8.723 0.807 17821 1203 1 4 . 1 1 48 48 HIS N N 48 117.500 117.500 115.914 1.586 17821 1204 1 4 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.755 0.115 17821 1205 1 4 . 1 1 48 48 HIS C C 48 173.300 173.300 175.903 -2.603 17821 1206 1 4 . 1 1 48 48 HIS CA C 48 53.100 53.100 57.298 -4.198 17821 1207 1 4 . 1 1 48 48 HIS CB C 48 28.900 28.900 30.933 -2.033 17821 1208 1 4 . 1 1 48 48 HIS H H 48 7.500 7.500 7.907 -0.407 17821 1209 1 4 . 1 1 49 49 CYS N N 49 116.100 116.100 119.376 -3.276 17821 1210 1 4 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.815 0.235 17821 1211 1 4 . 1 1 49 49 CYS C C 49 173.700 173.700 175.458 -1.758 17821 1212 1 4 . 1 1 49 49 CYS CA C 49 51.700 51.700 57.560 -5.860 17821 1213 1 4 . 1 1 49 49 CYS CB C 49 39.500 39.500 26.403 13.097 17821 1214 1 4 . 1 1 49 49 CYS H H 49 7.460 7.460 7.604 -0.144 17821 1215 1 4 . 1 1 50 50 GLY N N 50 112.900 112.900 109.779 3.121 17821 1216 1 4 . 1 1 50 50 GLY C C 50 172.500 172.500 175.639 -3.139 17821 1217 1 4 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.460 -2.160 17821 1218 1 4 . 1 1 50 50 GLY H H 50 9.150 9.150 8.676 0.474 17821 1219 1 4 . 1 1 51 51 HIS C C 51 175.400 175.400 177.544 -2.144 17821 1220 1 4 . 1 1 51 51 HIS CA C 51 56.400 56.400 58.714 -2.314 17821 1221 1 4 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.683 -3.683 17821 1222 1 4 . 1 1 52 52 LEU N N 52 122.000 122.000 121.621 0.379 17821 1223 1 4 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.121 -0.011 17821 1224 1 4 . 1 1 52 52 LEU C C 52 177.700 177.700 178.656 -0.956 17821 1225 1 4 . 1 1 52 52 LEU CA C 52 53.800 53.800 57.434 -3.634 17821 1226 1 4 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.187 -1.687 17821 1227 1 4 . 1 1 52 52 LEU H H 52 6.810 6.810 7.636 -0.826 17821 1228 1 4 . 1 1 53 53 ILE N N 53 124.200 124.200 119.986 4.214 17821 1229 1 4 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.603 -0.173 17821 1230 1 4 . 1 1 53 53 ILE C C 53 176.100 176.100 178.252 -2.152 17821 1231 1 4 . 1 1 53 53 ILE CA C 53 63.200 63.200 66.123 -2.923 17821 1232 1 4 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.837 -1.937 17821 1233 1 4 . 1 1 53 53 ILE H H 53 8.170 8.170 8.597 -0.427 17821 1234 1 4 . 1 1 54 54 GLU N N 54 120.600 120.600 120.172 0.428 17821 1235 1 4 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.965 0.065 17821 1236 1 4 . 1 1 54 54 GLU C C 54 175.400 175.400 178.752 -3.352 17821 1237 1 4 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.884 -3.784 17821 1238 1 4 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.688 -3.688 17821 1239 1 4 . 1 1 54 54 GLU H H 54 8.380 8.380 8.146 0.234 17821 1240 1 4 . 1 1 55 55 ALA N N 55 120.800 120.800 122.052 -1.252 17821 1241 1 4 . 1 1 55 55 ALA HA H 55 4.120 4.120 4.102 0.018 17821 1242 1 4 . 1 1 55 55 ALA C C 55 177.900 177.900 179.283 -1.383 17821 1243 1 4 . 1 1 55 55 ALA CA C 55 52.200 52.200 54.932 -2.732 17821 1244 1 4 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.289 -3.189 17821 1245 1 4 . 1 1 55 55 ALA H H 55 7.880 7.880 8.123 -0.243 17821 1246 1 4 . 1 1 56 56 HIS N N 56 117.400 117.400 119.400 -2.000 17821 1247 1 4 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.277 0.023 17821 1248 1 4 . 1 1 56 56 HIS C C 56 173.500 173.500 177.397 -3.897 17821 1249 1 4 . 1 1 56 56 HIS CA C 56 57.000 57.000 59.977 -2.977 17821 1250 1 4 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.289 -1.989 17821 1251 1 4 . 1 1 56 56 HIS H H 56 7.640 7.640 8.553 -0.913 17821 1252 1 4 . 1 1 57 57 LYS N N 57 119.200 119.200 118.982 0.218 17821 1253 1 4 . 1 1 57 57 LYS HA H 57 3.600 3.600 3.920 -0.320 17821 1254 1 4 . 1 1 57 57 LYS C C 57 176.200 176.200 178.965 -2.765 17821 1255 1 4 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.729 -2.129 17821 1256 1 4 . 1 1 57 57 LYS CB C 57 29.500 29.500 32.091 -2.591 17821 1257 1 4 . 1 1 57 57 LYS H H 57 7.620 7.620 8.316 -0.696 17821 1258 1 4 . 1 1 58 58 GLU N N 58 118.400 118.400 120.148 -1.748 17821 1259 1 4 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.041 -0.071 17821 1260 1 4 . 1 1 58 58 GLU C C 58 176.200 176.200 178.907 -2.707 17821 1261 1 4 . 1 1 58 58 GLU CA C 58 56.200 56.200 59.173 -2.973 17821 1262 1 4 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.340 -3.040 17821 1263 1 4 . 1 1 58 58 GLU H H 58 8.490 8.490 8.325 0.165 17821 1264 1 4 . 1 1 59 59 SER N N 59 116.100 116.100 115.788 0.312 17821 1265 1 4 . 1 1 59 59 SER HA H 59 4.150 4.150 4.161 -0.011 17821 1266 1 4 . 1 1 59 59 SER CA C 59 58.400 58.400 61.513 -3.113 17821 1267 1 4 . 1 1 59 59 SER CB C 59 60.300 60.300 63.214 -2.914 17821 1268 1 4 . 1 1 59 59 SER H H 59 7.790 7.790 8.106 -0.316 17821 1269 1 4 . 1 1 60 60 MET N N 60 117.500 117.500 120.399 -2.899 17821 1270 1 4 . 1 1 60 60 MET HA H 60 4.170 4.170 4.109 0.061 17821 1271 1 4 . 1 1 60 60 MET C C 60 176.400 176.400 177.815 -1.415 17821 1272 1 4 . 1 1 60 60 MET CA C 60 54.400 54.400 57.313 -2.913 17821 1273 1 4 . 1 1 60 60 MET CB C 60 29.100 29.100 31.981 -2.881 17821 1274 1 4 . 1 1 60 60 MET H H 60 7.880 7.880 8.243 -0.363 17821 1275 1 4 . 1 1 61 61 ARG N N 61 121.300 121.300 120.299 1.001 17821 1276 1 4 . 1 1 61 61 ARG HA H 61 4.170 4.170 3.953 0.217 17821 1277 1 4 . 1 1 61 61 ARG C C 61 177.500 177.500 178.256 -0.756 17821 1278 1 4 . 1 1 61 61 ARG CA C 61 56.100 56.100 59.133 -3.033 17821 1279 1 4 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.010 -2.510 17821 1280 1 4 . 1 1 61 61 ARG H H 61 8.290 8.290 8.183 0.107 17821 1281 1 4 . 1 1 62 62 ALA N N 62 123.200 123.200 120.831 2.369 17821 1282 1 4 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.120 -0.050 17821 1283 1 4 . 1 1 62 62 ALA C C 62 176.400 176.400 179.161 -2.761 17821 1284 1 4 . 1 1 62 62 ALA CA C 62 51.500 51.500 54.071 -2.571 17821 1285 1 4 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.203 -3.103 17821 1286 1 4 . 1 1 62 62 ALA H H 62 7.950 7.950 7.777 0.173 17821 1287 1 4 . 1 1 63 63 LEU N N 63 117.500 117.500 116.327 1.173 17821 1288 1 4 . 1 1 63 63 LEU HA H 63 4.200 4.200 3.977 0.223 17821 1289 1 4 . 1 1 63 63 LEU C C 63 174.400 174.400 177.599 -3.199 17821 1290 1 4 . 1 1 63 63 LEU CA C 63 52.900 52.900 55.049 -2.149 17821 1291 1 4 . 1 1 63 63 LEU CB C 63 39.800 39.800 41.163 -1.363 17821 1292 1 4 . 1 1 63 63 LEU H H 63 7.450 7.450 7.338 0.112 17821 1293 1 4 . 1 1 64 64 GLY N N 64 106.300 106.300 106.931 -0.631 17821 1294 1 4 . 1 1 64 64 GLY C C 64 171.400 171.400 175.066 -3.666 17821 1295 1 4 . 1 1 64 64 GLY CA C 64 42.100 42.100 45.318 -3.218 17821 1296 1 4 . 1 1 64 64 GLY H H 64 7.780 7.780 7.450 0.330 17821 1297 1 4 . 1 1 65 65 PHE N N 65 119.800 119.800 116.106 3.694 17821 1298 1 4 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.861 -0.391 17821 1299 1 4 . 1 1 65 65 PHE C C 65 172.300 172.300 175.061 -2.761 17821 1300 1 4 . 1 1 65 65 PHE CA C 65 54.900 54.900 54.700 0.200 17821 1301 1 4 . 1 1 65 65 PHE CB C 65 36.900 36.900 38.252 -1.352 17821 1302 1 4 . 1 1 65 65 PHE H H 65 7.840 7.840 7.223 0.617 17821 1303 1 4 . 1 1 66 66 LYS N N 66 124.000 124.000 121.324 2.676 17821 1304 1 4 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.459 -0.199 17821 1305 1 4 . 1 1 66 66 LYS C C 66 172.200 172.200 175.448 -3.248 17821 1306 1 4 . 1 1 66 66 LYS CA C 66 53.200 53.200 56.956 -3.756 17821 1307 1 4 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.567 -4.267 17821 1308 1 4 . 1 1 66 66 LYS H H 66 8.370 8.370 8.287 0.083 17821 1309 1 5 . 1 1 4 4 THR N N 4 117.400 117.400 114.291 3.109 17821 1310 1 5 . 1 1 4 4 THR HA H 4 4.130 4.130 4.377 -0.247 17821 1311 1 5 . 1 1 4 4 THR C C 4 170.800 170.800 174.616 -3.816 17821 1312 1 5 . 1 1 4 4 THR CA C 4 58.800 58.800 62.150 -3.350 17821 1313 1 5 . 1 1 4 4 THR CB C 4 67.000 67.000 69.390 -2.390 17821 1314 1 5 . 1 1 4 4 THR H H 4 7.980 7.980 8.293 -0.313 17821 1315 1 5 . 1 1 5 5 MET N N 5 124.400 124.400 123.179 1.221 17821 1316 1 5 . 1 1 5 5 MET C C 5 171.200 171.200 175.122 -3.922 17821 1317 1 5 . 1 1 5 5 MET CA C 5 50.400 50.400 54.427 -4.027 17821 1318 1 5 . 1 1 5 5 MET CB C 5 29.600 29.600 32.329 -2.729 17821 1319 1 5 . 1 1 5 5 MET H H 5 8.250 8.250 8.445 -0.195 17821 1320 1 5 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.559 -0.279 17821 1321 1 5 . 1 1 6 6 PRO CA C 6 60.500 60.500 62.952 -2.452 17821 1322 1 5 . 1 1 6 6 PRO CB C 6 29.200 29.200 32.468 -3.268 17821 1323 1 5 . 1 1 7 7 GLY N N 7 109.000 109.000 110.449 -1.449 17821 1324 1 5 . 1 1 7 7 GLY C C 7 171.200 171.200 175.417 -4.217 17821 1325 1 5 . 1 1 7 7 GLY CA C 7 42.400 42.400 45.292 -2.893 17821 1326 1 5 . 1 1 7 7 GLY H H 7 8.360 8.360 8.516 -0.156 17821 1327 1 5 . 1 1 8 8 LEU N N 8 121.700 121.700 121.153 0.547 17821 1328 1 5 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.300 -0.040 17821 1329 1 5 . 1 1 8 8 LEU C C 8 174.600 174.600 176.278 -1.678 17821 1330 1 5 . 1 1 8 8 LEU CA C 8 52.300 52.300 54.401 -2.101 17821 1331 1 5 . 1 1 8 8 LEU CB C 8 39.400 39.400 39.901 -0.501 17821 1332 1 5 . 1 1 8 8 LEU H H 8 7.920 7.920 8.433 -0.513 17821 1333 1 5 . 1 1 9 9 VAL N N 9 120.900 120.900 122.768 -1.868 17821 1334 1 5 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.132 -0.152 17821 1335 1 5 . 1 1 9 9 VAL C C 9 172.900 172.900 175.185 -2.285 17821 1336 1 5 . 1 1 9 9 VAL CA C 9 59.400 59.400 61.238 -1.838 17821 1337 1 5 . 1 1 9 9 VAL CB C 9 30.000 30.000 31.970 -1.970 17821 1338 1 5 . 1 1 9 9 VAL H H 9 8.050 8.050 7.838 0.212 17821 1339 1 5 . 1 1 10 10 ASP N N 10 124.300 124.300 127.228 -2.928 17821 1340 1 5 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.555 -0.085 17821 1341 1 5 . 1 1 10 10 ASP C C 10 173.100 173.100 176.324 -3.224 17821 1342 1 5 . 1 1 10 10 ASP CA C 10 51.500 51.500 54.576 -3.076 17821 1343 1 5 . 1 1 10 10 ASP CB C 10 38.300 38.300 41.327 -3.027 17821 1344 1 5 . 1 1 10 10 ASP H H 10 8.300 8.300 8.483 -0.183 17821 1345 1 5 . 1 1 11 11 SER N N 11 116.400 116.400 119.214 -2.814 17821 1346 1 5 . 1 1 11 11 SER HA H 11 4.290 4.290 4.105 0.185 17821 1347 1 5 . 1 1 11 11 SER C C 11 171.200 171.200 173.164 -1.964 17821 1348 1 5 . 1 1 11 11 SER CA C 11 55.500 55.500 59.519 -4.019 17821 1349 1 5 . 1 1 11 11 SER CB C 11 60.900 60.900 63.225 -2.325 17821 1350 1 5 . 1 1 11 11 SER H H 11 8.130 8.130 8.377 -0.247 17821 1351 1 5 . 1 1 12 12 ASN N N 12 121.600 121.600 120.820 0.780 17821 1352 1 5 . 1 1 12 12 ASN HA H 12 4.230 4.230 5.044 -0.814 17821 1353 1 5 . 1 1 12 12 ASN C C 12 170.000 170.000 172.819 -2.819 17821 1354 1 5 . 1 1 12 12 ASN CA C 12 56.500 56.500 51.337 5.162 17821 1355 1 5 . 1 1 12 12 ASN CB C 12 36.000 36.000 39.511 -3.511 17821 1356 1 5 . 1 1 12 12 ASN H H 12 8.360 8.360 8.350 0.010 17821 1357 1 5 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.494 -0.204 17821 1358 1 5 . 1 1 13 13 PRO CA C 13 60.300 60.300 62.880 -2.579 17821 1359 1 5 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.466 -3.266 17821 1360 1 5 . 1 1 14 14 ALA N N 14 125.700 125.700 121.712 3.988 17821 1361 1 5 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.145 0.265 17821 1362 1 5 . 1 1 14 14 ALA C C 14 172.200 172.200 176.035 -3.835 17821 1363 1 5 . 1 1 14 14 ALA CA C 14 47.500 47.500 51.770 -4.270 17821 1364 1 5 . 1 1 14 14 ALA CB C 14 15.100 15.100 17.623 -2.523 17821 1365 1 5 . 1 1 14 14 ALA H H 14 8.260 8.260 8.248 0.012 17821 1366 1 5 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.390 -0.110 17821 1367 1 5 . 1 1 16 16 PRO CA C 16 60.500 60.500 63.944 -3.444 17821 1368 1 5 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.216 -3.016 17821 1369 1 5 . 1 1 17 17 GLU N N 17 120.600 120.600 122.315 -1.715 17821 1370 1 5 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.412 -0.292 17821 1371 1 5 . 1 1 17 17 GLU C C 17 173.900 173.900 175.603 -1.703 17821 1372 1 5 . 1 1 17 17 GLU CA C 17 54.100 54.100 55.450 -1.350 17821 1373 1 5 . 1 1 17 17 GLU CB C 17 27.100 27.100 31.895 -4.795 17821 1374 1 5 . 1 1 17 17 GLU H H 17 8.550 8.550 8.350 0.200 17821 1375 1 5 . 1 1 18 18 SER N N 18 116.400 116.400 118.382 -1.982 17821 1376 1 5 . 1 1 18 18 SER HA H 18 4.310 4.310 4.327 -0.017 17821 1377 1 5 . 1 1 18 18 SER C C 18 171.900 171.900 173.857 -1.957 17821 1378 1 5 . 1 1 18 18 SER CA C 18 55.600 55.600 59.483 -3.883 17821 1379 1 5 . 1 1 18 18 SER CB C 18 60.800 60.800 63.525 -2.725 17821 1380 1 5 . 1 1 18 18 SER H H 18 8.240 8.240 8.571 -0.331 17821 1381 1 5 . 1 1 19 19 GLN N N 19 122.300 122.300 126.183 -3.883 17821 1382 1 5 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.524 -0.324 17821 1383 1 5 . 1 1 19 19 GLN C C 19 173.100 173.100 174.441 -1.341 17821 1384 1 5 . 1 1 19 19 GLN CA C 19 53.000 53.000 55.551 -2.551 17821 1385 1 5 . 1 1 19 19 GLN CB C 19 26.500 26.500 30.505 -4.005 17821 1386 1 5 . 1 1 19 19 GLN H H 19 8.310 8.310 8.437 -0.127 17821 1387 1 5 . 1 1 20 20 GLU N N 20 121.600 121.600 122.847 -1.247 17821 1388 1 5 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.655 -0.365 17821 1389 1 5 . 1 1 20 20 GLU C C 20 173.500 173.500 175.507 -2.007 17821 1390 1 5 . 1 1 20 20 GLU CA C 20 53.900 53.900 56.022 -2.122 17821 1391 1 5 . 1 1 20 20 GLU CB C 20 27.400 27.400 30.917 -3.517 17821 1392 1 5 . 1 1 20 20 GLU H H 20 8.240 8.240 8.562 -0.322 17821 1393 1 5 . 1 1 21 21 LYS N N 21 122.900 122.900 121.017 1.883 17821 1394 1 5 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.437 -0.257 17821 1395 1 5 . 1 1 21 21 LYS C C 21 173.400 173.400 175.362 -1.962 17821 1396 1 5 . 1 1 21 21 LYS CA C 21 53.300 53.300 55.900 -2.600 17821 1397 1 5 . 1 1 21 21 LYS CB C 21 29.800 29.800 33.774 -3.974 17821 1398 1 5 . 1 1 21 21 LYS H H 21 8.260 8.260 8.326 -0.066 17821 1399 1 5 . 1 1 22 22 LYS N N 22 124.000 124.000 123.474 0.526 17821 1400 1 5 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.443 0.007 17821 1401 1 5 . 1 1 22 22 LYS C C 22 171.500 171.500 174.586 -3.086 17821 1402 1 5 . 1 1 22 22 LYS CA C 22 51.200 51.200 55.468 -4.269 17821 1403 1 5 . 1 1 22 22 LYS CB C 22 29.500 29.500 32.709 -3.209 17821 1404 1 5 . 1 1 22 22 LYS H H 22 8.220 8.220 8.451 -0.231 17821 1405 1 5 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.349 -0.059 17821 1406 1 5 . 1 1 23 23 PRO CA C 23 60.100 60.100 62.993 -2.893 17821 1407 1 5 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.320 -3.120 17821 1408 1 5 . 1 1 24 24 LEU N N 24 122.700 122.700 123.205 -0.505 17821 1409 1 5 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.603 -0.443 17821 1410 1 5 . 1 1 24 24 LEU C C 24 174.400 174.400 176.537 -2.137 17821 1411 1 5 . 1 1 24 24 LEU CA C 24 52.400 52.400 54.775 -2.374 17821 1412 1 5 . 1 1 24 24 LEU CB C 24 39.600 39.600 42.956 -3.356 17821 1413 1 5 . 1 1 24 24 LEU H H 24 8.270 8.270 8.403 -0.133 17821 1414 1 5 . 1 1 25 25 LYS N N 25 123.400 123.400 123.806 -0.406 17821 1415 1 5 . 1 1 25 25 LYS C C 25 171.600 171.600 174.207 -2.607 17821 1416 1 5 . 1 1 25 25 LYS CA C 25 50.900 50.900 54.080 -3.180 17821 1417 1 5 . 1 1 25 25 LYS CB C 25 29.800 29.800 33.839 -4.039 17821 1418 1 5 . 1 1 25 25 LYS H H 25 8.180 8.180 8.335 -0.155 17821 1419 1 5 . 1 1 28 28 CYS CA C 28 46.000 46.000 58.629 -12.629 17821 1420 1 5 . 1 1 28 28 CYS CB C 28 31.000 31.000 28.349 2.651 17821 1421 1 5 . 1 1 29 29 ALA N N 29 123.800 123.800 124.233 -0.433 17821 1422 1 5 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.539 -0.389 17821 1423 1 5 . 1 1 29 29 ALA C C 29 173.200 173.200 176.645 -3.445 17821 1424 1 5 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.599 -1.899 17821 1425 1 5 . 1 1 29 29 ALA CB C 29 17.600 17.600 20.611 -3.011 17821 1426 1 5 . 1 1 29 29 ALA H H 29 8.050 8.050 7.465 0.585 17821 1427 1 5 . 1 1 30 30 SER N N 30 112.800 112.800 114.989 -2.189 17821 1428 1 5 . 1 1 30 30 SER HA H 30 4.580 4.580 4.964 -0.384 17821 1429 1 5 . 1 1 30 30 SER C C 30 173.300 173.300 173.766 -0.466 17821 1430 1 5 . 1 1 30 30 SER CA C 30 52.600 52.600 55.740 -3.140 17821 1431 1 5 . 1 1 30 30 SER CB C 30 59.400 59.400 62.901 -3.502 17821 1432 1 5 . 1 1 30 30 SER H H 30 8.270 8.270 8.696 -0.426 17821 1433 1 5 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.204 -0.044 17821 1434 1 5 . 1 1 31 31 PRO CA C 31 61.800 61.800 64.836 -3.036 17821 1435 1 5 . 1 1 31 31 PRO CB C 31 29.300 29.300 32.028 -2.728 17821 1436 1 5 . 1 1 32 32 GLU N N 32 119.100 119.100 117.905 1.195 17821 1437 1 5 . 1 1 32 32 GLU HA H 32 4.060 4.060 4.162 -0.102 17821 1438 1 5 . 1 1 32 32 GLU C C 32 177.300 177.300 178.325 -1.025 17821 1439 1 5 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.301 -2.401 17821 1440 1 5 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.863 -2.863 17821 1441 1 5 . 1 1 32 32 GLU H H 32 8.720 8.720 8.826 -0.106 17821 1442 1 5 . 1 1 33 33 THR N N 33 110.800 110.800 113.803 -3.003 17821 1443 1 5 . 1 1 33 33 THR HA H 33 4.040 4.040 4.119 -0.079 17821 1444 1 5 . 1 1 33 33 THR C C 33 176.000 176.000 176.347 -0.347 17821 1445 1 5 . 1 1 33 33 THR CA C 33 61.700 61.700 65.629 -3.929 17821 1446 1 5 . 1 1 33 33 THR CB C 33 64.100 64.100 68.896 -4.796 17821 1447 1 5 . 1 1 33 33 THR H H 33 7.620 7.620 7.883 -0.263 17821 1448 1 5 . 1 1 34 34 LYS N N 34 127.100 127.100 122.327 4.773 17821 1449 1 5 . 1 1 34 34 LYS HA H 34 2.920 2.920 3.924 -1.004 17821 1450 1 5 . 1 1 34 34 LYS C C 34 174.300 174.300 178.600 -4.300 17821 1451 1 5 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.028 -1.728 17821 1452 1 5 . 1 1 34 34 LYS CB C 34 30.000 30.000 32.096 -2.096 17821 1453 1 5 . 1 1 34 34 LYS H H 34 7.740 7.740 7.503 0.237 17821 1454 1 5 . 1 1 35 35 LYS N N 35 118.500 118.500 118.918 -0.418 17821 1455 1 5 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.040 -0.150 17821 1456 1 5 . 1 1 35 35 LYS C C 35 176.500 176.500 179.009 -2.509 17821 1457 1 5 . 1 1 35 35 LYS CA C 35 56.700 56.700 58.840 -2.140 17821 1458 1 5 . 1 1 35 35 LYS CB C 35 29.500 29.500 31.838 -2.338 17821 1459 1 5 . 1 1 35 35 LYS H H 35 7.880 7.880 8.251 -0.371 17821 1460 1 5 . 1 1 36 36 ALA N N 36 120.100 120.100 121.792 -1.692 17821 1461 1 5 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.146 -0.106 17821 1462 1 5 . 1 1 36 36 ALA C C 36 177.600 177.600 179.726 -2.126 17821 1463 1 5 . 1 1 36 36 ALA CA C 36 52.000 52.000 54.990 -2.990 17821 1464 1 5 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.400 -3.000 17821 1465 1 5 . 1 1 36 36 ALA H H 36 7.490 7.490 7.988 -0.498 17821 1466 1 5 . 1 1 37 37 ARG N N 37 118.500 118.500 119.286 -0.786 17821 1467 1 5 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.983 -0.363 17821 1468 1 5 . 1 1 37 37 ARG C C 37 174.100 174.100 177.770 -3.670 17821 1469 1 5 . 1 1 37 37 ARG CA C 37 56.600 56.600 59.790 -3.190 17821 1470 1 5 . 1 1 37 37 ARG CB C 37 27.100 27.100 30.295 -3.195 17821 1471 1 5 . 1 1 37 37 ARG H H 37 7.630 7.630 8.162 -0.532 17821 1472 1 5 . 1 1 38 38 ASP N N 38 120.200 120.200 119.550 0.650 17821 1473 1 5 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.313 -0.043 17821 1474 1 5 . 1 1 38 38 ASP C C 38 175.500 175.500 178.309 -2.809 17821 1475 1 5 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.535 -2.835 17821 1476 1 5 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.652 -4.452 17821 1477 1 5 . 1 1 38 38 ASP H H 38 8.680 8.680 8.344 0.336 17821 1478 1 5 . 1 1 39 39 ALA N N 39 121.100 121.100 121.163 -0.063 17821 1479 1 5 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.045 -0.035 17821 1480 1 5 . 1 1 39 39 ALA C C 39 176.800 176.800 179.471 -2.671 17821 1481 1 5 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.247 -3.147 17821 1482 1 5 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.186 -2.986 17821 1483 1 5 . 1 1 39 39 ALA H H 39 8.040 8.040 8.193 -0.153 17821 1484 1 5 . 1 1 40 40 CYS N N 40 117.600 117.600 118.556 -0.956 17821 1485 1 5 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.133 0.047 17821 1486 1 5 . 1 1 40 40 CYS C C 40 173.800 173.800 176.986 -3.186 17821 1487 1 5 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.826 -4.926 17821 1488 1 5 . 1 1 40 40 CYS CB C 40 36.400 36.400 25.781 10.619 17821 1489 1 5 . 1 1 40 40 CYS H H 40 7.340 7.340 7.956 -0.616 17821 1490 1 5 . 1 1 41 41 ILE N N 41 121.500 121.500 121.160 0.340 17821 1491 1 5 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.780 -0.730 17821 1492 1 5 . 1 1 41 41 ILE C C 41 176.100 176.100 178.554 -2.454 17821 1493 1 5 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.993 -1.593 17821 1494 1 5 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.894 -2.594 17821 1495 1 5 . 1 1 41 41 ILE H H 41 8.230 8.230 8.435 -0.205 17821 1496 1 5 . 1 1 42 42 ILE N N 42 119.200 119.200 119.636 -0.436 17821 1497 1 5 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.760 -0.070 17821 1498 1 5 . 1 1 42 42 ILE C C 42 174.200 174.200 177.569 -3.369 17821 1499 1 5 . 1 1 42 42 ILE CA C 42 61.300 61.300 63.958 -2.658 17821 1500 1 5 . 1 1 42 42 ILE CB C 42 35.800 35.800 36.673 -0.873 17821 1501 1 5 . 1 1 42 42 ILE H H 42 7.770 7.770 8.236 -0.466 17821 1502 1 5 . 1 1 43 43 GLU N N 43 118.700 118.700 120.108 -1.408 17821 1503 1 5 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.206 -0.156 17821 1504 1 5 . 1 1 43 43 GLU C C 43 175.300 175.300 177.982 -2.682 17821 1505 1 5 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.571 -2.271 17821 1506 1 5 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.452 -2.252 17821 1507 1 5 . 1 1 43 43 GLU H H 43 7.600 7.600 8.008 -0.408 17821 1508 1 5 . 1 1 44 44 LYS N N 44 114.600 114.600 115.404 -0.804 17821 1509 1 5 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.423 0.027 17821 1510 1 5 . 1 1 44 44 LYS C C 44 174.500 174.500 176.562 -2.062 17821 1511 1 5 . 1 1 44 44 LYS CA C 44 53.800 53.800 55.997 -2.197 17821 1512 1 5 . 1 1 44 44 LYS CB C 44 32.700 32.700 33.931 -1.231 17821 1513 1 5 . 1 1 44 44 LYS H H 44 8.860 8.860 8.382 0.478 17821 1514 1 5 . 1 1 45 45 GLY N N 45 108.700 108.700 109.157 -0.457 17821 1515 1 5 . 1 1 45 45 GLY C C 45 171.000 171.000 175.366 -4.366 17821 1516 1 5 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.425 -3.125 17821 1517 1 5 . 1 1 45 45 GLY H H 45 7.690 7.690 7.521 0.169 17821 1518 1 5 . 1 1 46 46 GLU N N 46 120.800 120.800 121.671 -0.871 17821 1519 1 5 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.895 -0.455 17821 1520 1 5 . 1 1 46 46 GLU C C 46 175.800 175.800 178.162 -2.362 17821 1521 1 5 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.292 -0.992 17821 1522 1 5 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.516 -2.416 17821 1523 1 5 . 1 1 46 46 GLU H H 46 8.900 8.900 8.899 0.001 17821 1524 1 5 . 1 1 47 47 GLU N N 47 118.700 118.700 117.245 1.455 17821 1525 1 5 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.230 -0.290 17821 1526 1 5 . 1 1 47 47 GLU C C 47 174.300 174.300 177.475 -3.175 17821 1527 1 5 . 1 1 47 47 GLU CA C 47 55.900 55.900 57.702 -1.802 17821 1528 1 5 . 1 1 47 47 GLU CB C 47 25.500 25.500 29.037 -3.537 17821 1529 1 5 . 1 1 47 47 GLU H H 47 9.530 9.530 8.712 0.818 17821 1530 1 5 . 1 1 48 48 HIS N N 48 117.500 117.500 116.928 0.572 17821 1531 1 5 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.823 0.047 17821 1532 1 5 . 1 1 48 48 HIS C C 48 173.300 173.300 174.917 -1.617 17821 1533 1 5 . 1 1 48 48 HIS CA C 48 53.100 53.100 55.587 -2.487 17821 1534 1 5 . 1 1 48 48 HIS CB C 48 28.900 28.900 31.164 -2.264 17821 1535 1 5 . 1 1 48 48 HIS H H 48 7.500 7.500 7.745 -0.245 17821 1536 1 5 . 1 1 49 49 CYS N N 49 116.100 116.100 119.984 -3.884 17821 1537 1 5 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.799 0.251 17821 1538 1 5 . 1 1 49 49 CYS C C 49 173.700 173.700 175.438 -1.738 17821 1539 1 5 . 1 1 49 49 CYS CA C 49 51.700 51.700 58.022 -6.322 17821 1540 1 5 . 1 1 49 49 CYS CB C 49 39.500 39.500 27.530 11.970 17821 1541 1 5 . 1 1 49 49 CYS H H 49 7.460 7.460 7.407 0.053 17821 1542 1 5 . 1 1 50 50 GLY N N 50 112.900 112.900 110.474 2.426 17821 1543 1 5 . 1 1 50 50 GLY C C 50 172.500 172.500 175.692 -3.192 17821 1544 1 5 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.387 -2.087 17821 1545 1 5 . 1 1 50 50 GLY H H 50 9.150 9.150 8.490 0.660 17821 1546 1 5 . 1 1 51 51 HIS C C 51 175.400 175.400 177.482 -2.082 17821 1547 1 5 . 1 1 51 51 HIS CA C 51 56.400 56.400 58.119 -1.719 17821 1548 1 5 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.278 -3.278 17821 1549 1 5 . 1 1 52 52 LEU N N 52 122.000 122.000 120.210 1.790 17821 1550 1 5 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.249 -0.139 17821 1551 1 5 . 1 1 52 52 LEU C C 52 177.700 177.700 178.747 -1.047 17821 1552 1 5 . 1 1 52 52 LEU CA C 52 53.800 53.800 56.164 -2.364 17821 1553 1 5 . 1 1 52 52 LEU CB C 52 39.500 39.500 40.861 -1.361 17821 1554 1 5 . 1 1 52 52 LEU H H 52 6.810 6.810 7.862 -1.052 17821 1555 1 5 . 1 1 53 53 ILE N N 53 124.200 124.200 121.804 2.396 17821 1556 1 5 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.688 -0.258 17821 1557 1 5 . 1 1 53 53 ILE C C 53 176.100 176.100 178.323 -2.223 17821 1558 1 5 . 1 1 53 53 ILE CA C 53 63.200 63.200 66.248 -3.048 17821 1559 1 5 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.977 -2.077 17821 1560 1 5 . 1 1 53 53 ILE H H 53 8.170 8.170 8.275 -0.105 17821 1561 1 5 . 1 1 54 54 GLU N N 54 120.600 120.600 120.158 0.442 17821 1562 1 5 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.909 0.121 17821 1563 1 5 . 1 1 54 54 GLU C C 54 175.400 175.400 178.651 -3.251 17821 1564 1 5 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.991 -3.891 17821 1565 1 5 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.664 -3.664 17821 1566 1 5 . 1 1 54 54 GLU H H 54 8.380 8.380 8.407 -0.027 17821 1567 1 5 . 1 1 55 55 ALA N N 55 120.800 120.800 122.049 -1.249 17821 1568 1 5 . 1 1 55 55 ALA HA H 55 4.120 4.120 4.259 -0.139 17821 1569 1 5 . 1 1 55 55 ALA C C 55 177.900 177.900 179.390 -1.490 17821 1570 1 5 . 1 1 55 55 ALA CA C 55 52.200 52.200 54.935 -2.735 17821 1571 1 5 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.214 -3.114 17821 1572 1 5 . 1 1 55 55 ALA H H 55 7.880 7.880 7.996 -0.116 17821 1573 1 5 . 1 1 56 56 HIS N N 56 117.400 117.400 119.183 -1.783 17821 1574 1 5 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.229 0.071 17821 1575 1 5 . 1 1 56 56 HIS C C 56 173.500 173.500 177.203 -3.703 17821 1576 1 5 . 1 1 56 56 HIS CA C 56 57.000 57.000 59.629 -2.629 17821 1577 1 5 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.153 -1.853 17821 1578 1 5 . 1 1 56 56 HIS H H 56 7.640 7.640 8.551 -0.911 17821 1579 1 5 . 1 1 57 57 LYS N N 57 119.200 119.200 119.066 0.134 17821 1580 1 5 . 1 1 57 57 LYS HA H 57 3.600 3.600 3.737 -0.137 17821 1581 1 5 . 1 1 57 57 LYS C C 57 176.200 176.200 178.871 -2.671 17821 1582 1 5 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.438 -1.839 17821 1583 1 5 . 1 1 57 57 LYS CB C 57 29.500 29.500 31.905 -2.405 17821 1584 1 5 . 1 1 57 57 LYS H H 57 7.620 7.620 8.216 -0.596 17821 1585 1 5 . 1 1 58 58 GLU N N 58 118.400 118.400 120.492 -2.092 17821 1586 1 5 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.001 -0.031 17821 1587 1 5 . 1 1 58 58 GLU C C 58 176.200 176.200 179.121 -2.921 17821 1588 1 5 . 1 1 58 58 GLU CA C 58 56.200 56.200 59.178 -2.978 17821 1589 1 5 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.321 -3.021 17821 1590 1 5 . 1 1 58 58 GLU H H 58 8.490 8.490 8.542 -0.052 17821 1591 1 5 . 1 1 59 59 SER N N 59 116.100 116.100 115.160 0.940 17821 1592 1 5 . 1 1 59 59 SER HA H 59 4.150 4.150 4.231 -0.081 17821 1593 1 5 . 1 1 59 59 SER CA C 59 58.400 58.400 61.602 -3.202 17821 1594 1 5 . 1 1 59 59 SER CB C 59 60.300 60.300 63.205 -2.905 17821 1595 1 5 . 1 1 59 59 SER H H 59 7.790 7.790 8.104 -0.314 17821 1596 1 5 . 1 1 60 60 MET N N 60 117.500 117.500 117.686 -0.186 17821 1597 1 5 . 1 1 60 60 MET HA H 60 4.170 4.170 4.285 -0.115 17821 1598 1 5 . 1 1 60 60 MET C C 60 176.400 176.400 177.389 -0.989 17821 1599 1 5 . 1 1 60 60 MET CA C 60 54.400 54.400 54.967 -0.567 17821 1600 1 5 . 1 1 60 60 MET CB C 60 29.100 29.100 32.102 -3.002 17821 1601 1 5 . 1 1 60 60 MET H H 60 7.880 7.880 8.024 -0.144 17821 1602 1 5 . 1 1 61 61 ARG N N 61 121.300 121.300 120.925 0.375 17821 1603 1 5 . 1 1 61 61 ARG HA H 61 4.170 4.170 3.968 0.202 17821 1604 1 5 . 1 1 61 61 ARG C C 61 177.500 177.500 178.626 -1.126 17821 1605 1 5 . 1 1 61 61 ARG CA C 61 56.100 56.100 59.043 -2.943 17821 1606 1 5 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.036 -2.536 17821 1607 1 5 . 1 1 61 61 ARG H H 61 8.290 8.290 8.414 -0.124 17821 1608 1 5 . 1 1 62 62 ALA N N 62 123.200 123.200 122.830 0.370 17821 1609 1 5 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.071 -0.001 17821 1610 1 5 . 1 1 62 62 ALA C C 62 176.400 176.400 178.874 -2.474 17821 1611 1 5 . 1 1 62 62 ALA CA C 62 51.500 51.500 54.479 -2.979 17821 1612 1 5 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.302 -3.202 17821 1613 1 5 . 1 1 62 62 ALA H H 62 7.950 7.950 7.892 0.058 17821 1614 1 5 . 1 1 63 63 LEU N N 63 117.500 117.500 117.348 0.152 17821 1615 1 5 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.254 -0.054 17821 1616 1 5 . 1 1 63 63 LEU C C 63 174.400 174.400 177.589 -3.189 17821 1617 1 5 . 1 1 63 63 LEU CA C 63 52.900 52.900 54.469 -1.569 17821 1618 1 5 . 1 1 63 63 LEU CB C 63 39.800 39.800 41.236 -1.436 17821 1619 1 5 . 1 1 63 63 LEU H H 63 7.450 7.450 7.401 0.049 17821 1620 1 5 . 1 1 64 64 GLY N N 64 106.300 106.300 108.059 -1.759 17821 1621 1 5 . 1 1 64 64 GLY C C 64 171.400 171.400 175.283 -3.883 17821 1622 1 5 . 1 1 64 64 GLY CA C 64 42.100 42.100 45.994 -3.894 17821 1623 1 5 . 1 1 64 64 GLY H H 64 7.780 7.780 7.724 0.056 17821 1624 1 5 . 1 1 65 65 PHE N N 65 119.800 119.800 116.091 3.709 17821 1625 1 5 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.946 -0.476 17821 1626 1 5 . 1 1 65 65 PHE C C 65 172.300 172.300 175.462 -3.162 17821 1627 1 5 . 1 1 65 65 PHE CA C 65 54.900 54.900 56.139 -1.239 17821 1628 1 5 . 1 1 65 65 PHE CB C 65 36.900 36.900 39.109 -2.209 17821 1629 1 5 . 1 1 65 65 PHE H H 65 7.840 7.840 7.517 0.323 17821 1630 1 5 . 1 1 66 66 LYS N N 66 124.000 124.000 121.375 2.625 17821 1631 1 5 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.462 -0.202 17821 1632 1 5 . 1 1 66 66 LYS C C 66 172.200 172.200 175.595 -3.395 17821 1633 1 5 . 1 1 66 66 LYS CA C 66 53.200 53.200 57.011 -3.811 17821 1634 1 5 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.626 -4.326 17821 1635 1 5 . 1 1 66 66 LYS H H 66 8.370 8.370 8.281 0.089 17821 1636 1 6 . 1 1 4 4 THR N N 4 117.400 117.400 121.212 -3.812 17821 1637 1 6 . 1 1 4 4 THR HA H 4 4.130 4.130 4.343 -0.213 17821 1638 1 6 . 1 1 4 4 THR C C 4 170.800 170.800 174.543 -3.743 17821 1639 1 6 . 1 1 4 4 THR CA C 4 58.800 58.800 62.389 -3.589 17821 1640 1 6 . 1 1 4 4 THR CB C 4 67.000 67.000 69.289 -2.289 17821 1641 1 6 . 1 1 4 4 THR H H 4 7.980 7.980 7.928 0.052 17821 1642 1 6 . 1 1 5 5 MET N N 5 124.400 124.400 125.256 -0.856 17821 1643 1 6 . 1 1 5 5 MET C C 5 171.200 171.200 174.817 -3.617 17821 1644 1 6 . 1 1 5 5 MET CA C 5 50.400 50.400 54.968 -4.568 17821 1645 1 6 . 1 1 5 5 MET CB C 5 29.600 29.600 32.080 -2.480 17821 1646 1 6 . 1 1 5 5 MET H H 5 8.250 8.250 8.559 -0.309 17821 1647 1 6 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.654 -0.374 17821 1648 1 6 . 1 1 6 6 PRO CA C 6 60.500 60.500 62.834 -2.334 17821 1649 1 6 . 1 1 6 6 PRO CB C 6 29.200 29.200 33.176 -3.976 17821 1650 1 6 . 1 1 7 7 GLY N N 7 109.000 109.000 107.791 1.209 17821 1651 1 6 . 1 1 7 7 GLY C C 7 171.200 171.200 175.464 -4.264 17821 1652 1 6 . 1 1 7 7 GLY CA C 7 42.400 42.400 46.163 -3.763 17821 1653 1 6 . 1 1 7 7 GLY H H 7 8.360 8.360 8.712 -0.352 17821 1654 1 6 . 1 1 8 8 LEU N N 8 121.700 121.700 121.804 -0.104 17821 1655 1 6 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.575 -0.315 17821 1656 1 6 . 1 1 8 8 LEU C C 8 174.600 174.600 176.314 -1.714 17821 1657 1 6 . 1 1 8 8 LEU CA C 8 52.300 52.300 55.177 -2.877 17821 1658 1 6 . 1 1 8 8 LEU CB C 8 39.400 39.400 40.637 -1.237 17821 1659 1 6 . 1 1 8 8 LEU H H 8 7.920 7.920 7.797 0.123 17821 1660 1 6 . 1 1 9 9 VAL N N 9 120.900 120.900 115.283 5.617 17821 1661 1 6 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.494 -0.514 17821 1662 1 6 . 1 1 9 9 VAL C C 9 172.900 172.900 174.077 -1.177 17821 1663 1 6 . 1 1 9 9 VAL CA C 9 59.400 59.400 60.717 -1.317 17821 1664 1 6 . 1 1 9 9 VAL CB C 9 30.000 30.000 34.564 -4.564 17821 1665 1 6 . 1 1 9 9 VAL H H 9 8.050 8.050 7.463 0.587 17821 1666 1 6 . 1 1 10 10 ASP N N 10 124.300 124.300 121.448 2.852 17821 1667 1 6 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.869 -0.399 17821 1668 1 6 . 1 1 10 10 ASP C C 10 173.100 173.100 175.492 -2.392 17821 1669 1 6 . 1 1 10 10 ASP CA C 10 51.500 51.500 53.370 -1.870 17821 1670 1 6 . 1 1 10 10 ASP CB C 10 38.300 38.300 42.974 -4.674 17821 1671 1 6 . 1 1 10 10 ASP H H 10 8.300 8.300 8.305 -0.005 17821 1672 1 6 . 1 1 11 11 SER N N 11 116.400 116.400 118.539 -2.139 17821 1673 1 6 . 1 1 11 11 SER HA H 11 4.290 4.290 4.500 -0.210 17821 1674 1 6 . 1 1 11 11 SER C C 11 171.200 171.200 174.528 -3.328 17821 1675 1 6 . 1 1 11 11 SER CA C 11 55.500 55.500 57.817 -2.317 17821 1676 1 6 . 1 1 11 11 SER CB C 11 60.900 60.900 64.092 -3.192 17821 1677 1 6 . 1 1 11 11 SER H H 11 8.130 8.130 8.183 -0.053 17821 1678 1 6 . 1 1 12 12 ASN N N 12 121.600 121.600 118.405 3.195 17821 1679 1 6 . 1 1 12 12 ASN HA H 12 4.230 4.230 4.856 -0.626 17821 1680 1 6 . 1 1 12 12 ASN C C 12 170.000 170.000 173.959 -3.959 17821 1681 1 6 . 1 1 12 12 ASN CA C 12 56.500 56.500 52.176 4.324 17821 1682 1 6 . 1 1 12 12 ASN CB C 12 36.000 36.000 38.227 -2.227 17821 1683 1 6 . 1 1 12 12 ASN H H 12 8.360 8.360 8.580 -0.220 17821 1684 1 6 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.547 -0.257 17821 1685 1 6 . 1 1 13 13 PRO CA C 13 60.300 60.300 62.287 -1.987 17821 1686 1 6 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.879 -3.679 17821 1687 1 6 . 1 1 14 14 ALA N N 14 125.700 125.700 123.080 2.620 17821 1688 1 6 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.434 -0.024 17821 1689 1 6 . 1 1 14 14 ALA C C 14 172.200 172.200 176.474 -4.274 17821 1690 1 6 . 1 1 14 14 ALA CA C 14 47.500 47.500 51.133 -3.633 17821 1691 1 6 . 1 1 14 14 ALA CB C 14 15.100 15.100 18.133 -3.033 17821 1692 1 6 . 1 1 14 14 ALA H H 14 8.260 8.260 8.216 0.044 17821 1693 1 6 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.556 -0.276 17821 1694 1 6 . 1 1 16 16 PRO CA C 16 60.500 60.500 62.609 -2.109 17821 1695 1 6 . 1 1 16 16 PRO CB C 16 29.200 29.200 30.631 -1.431 17821 1696 1 6 . 1 1 17 17 GLU N N 17 120.600 120.600 119.453 1.147 17821 1697 1 6 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.238 -0.118 17821 1698 1 6 . 1 1 17 17 GLU C C 17 173.900 173.900 176.952 -3.052 17821 1699 1 6 . 1 1 17 17 GLU CA C 17 54.100 54.100 56.962 -2.861 17821 1700 1 6 . 1 1 17 17 GLU CB C 17 27.100 27.100 29.673 -2.573 17821 1701 1 6 . 1 1 17 17 GLU H H 17 8.550 8.550 8.303 0.247 17821 1702 1 6 . 1 1 18 18 SER N N 18 116.400 116.400 117.628 -1.228 17821 1703 1 6 . 1 1 18 18 SER HA H 18 4.310 4.310 4.487 -0.177 17821 1704 1 6 . 1 1 18 18 SER C C 18 171.900 171.900 174.172 -2.272 17821 1705 1 6 . 1 1 18 18 SER CA C 18 55.600 55.600 57.974 -2.374 17821 1706 1 6 . 1 1 18 18 SER CB C 18 60.800 60.800 63.833 -3.033 17821 1707 1 6 . 1 1 18 18 SER H H 18 8.240 8.240 8.107 0.133 17821 1708 1 6 . 1 1 19 19 GLN N N 19 122.300 122.300 122.219 0.081 17821 1709 1 6 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.275 -0.075 17821 1710 1 6 . 1 1 19 19 GLN C C 19 173.100 173.100 175.265 -2.165 17821 1711 1 6 . 1 1 19 19 GLN CA C 19 53.000 53.000 56.229 -3.229 17821 1712 1 6 . 1 1 19 19 GLN CB C 19 26.500 26.500 26.918 -0.418 17821 1713 1 6 . 1 1 19 19 GLN H H 19 8.310 8.310 8.770 -0.460 17821 1714 1 6 . 1 1 20 20 GLU N N 20 121.600 121.600 121.561 0.039 17821 1715 1 6 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.591 -0.301 17821 1716 1 6 . 1 1 20 20 GLU C C 20 173.500 173.500 175.058 -1.558 17821 1717 1 6 . 1 1 20 20 GLU CA C 20 53.900 53.900 55.051 -1.151 17821 1718 1 6 . 1 1 20 20 GLU CB C 20 27.400 27.400 31.093 -3.693 17821 1719 1 6 . 1 1 20 20 GLU H H 20 8.240 8.240 8.020 0.220 17821 1720 1 6 . 1 1 21 21 LYS N N 21 122.900 122.900 120.659 2.241 17821 1721 1 6 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.511 -0.331 17821 1722 1 6 . 1 1 21 21 LYS C C 21 173.400 173.400 175.876 -2.476 17821 1723 1 6 . 1 1 21 21 LYS CA C 21 53.300 53.300 55.940 -2.640 17821 1724 1 6 . 1 1 21 21 LYS CB C 21 29.800 29.800 33.104 -3.304 17821 1725 1 6 . 1 1 21 21 LYS H H 21 8.260 8.260 8.436 -0.176 17821 1726 1 6 . 1 1 22 22 LYS N N 22 124.000 124.000 123.230 0.770 17821 1727 1 6 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.765 -0.315 17821 1728 1 6 . 1 1 22 22 LYS C C 22 171.500 171.500 174.569 -3.069 17821 1729 1 6 . 1 1 22 22 LYS CA C 22 51.200 51.200 53.763 -2.563 17821 1730 1 6 . 1 1 22 22 LYS CB C 22 29.500 29.500 32.825 -3.325 17821 1731 1 6 . 1 1 22 22 LYS H H 22 8.220 8.220 8.418 -0.198 17821 1732 1 6 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.457 -0.167 17821 1733 1 6 . 1 1 23 23 PRO CA C 23 60.100 60.100 62.573 -2.473 17821 1734 1 6 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.405 -3.205 17821 1735 1 6 . 1 1 24 24 LEU N N 24 122.700 122.700 123.609 -0.909 17821 1736 1 6 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.410 -0.250 17821 1737 1 6 . 1 1 24 24 LEU C C 24 174.400 174.400 176.457 -2.057 17821 1738 1 6 . 1 1 24 24 LEU CA C 24 52.400 52.400 54.694 -2.294 17821 1739 1 6 . 1 1 24 24 LEU CB C 24 39.600 39.600 39.475 0.125 17821 1740 1 6 . 1 1 24 24 LEU H H 24 8.270 8.270 8.493 -0.223 17821 1741 1 6 . 1 1 25 25 LYS N N 25 123.400 123.400 125.754 -2.354 17821 1742 1 6 . 1 1 25 25 LYS C C 25 171.600 171.600 174.989 -3.389 17821 1743 1 6 . 1 1 25 25 LYS CA C 25 50.900 50.900 54.584 -3.684 17821 1744 1 6 . 1 1 25 25 LYS CB C 25 29.800 29.800 33.389 -3.588 17821 1745 1 6 . 1 1 25 25 LYS H H 25 8.180 8.180 7.851 0.329 17821 1746 1 6 . 1 1 28 28 CYS CA C 28 46.000 46.000 59.347 -13.348 17821 1747 1 6 . 1 1 28 28 CYS CB C 28 31.000 31.000 26.110 4.890 17821 1748 1 6 . 1 1 29 29 ALA N N 29 123.800 123.800 122.125 1.675 17821 1749 1 6 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.388 -0.238 17821 1750 1 6 . 1 1 29 29 ALA C C 29 173.200 173.200 177.100 -3.900 17821 1751 1 6 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.540 -1.840 17821 1752 1 6 . 1 1 29 29 ALA CB C 29 17.600 17.600 20.534 -2.934 17821 1753 1 6 . 1 1 29 29 ALA H H 29 8.050 8.050 7.762 0.288 17821 1754 1 6 . 1 1 30 30 SER N N 30 112.800 112.800 114.419 -1.619 17821 1755 1 6 . 1 1 30 30 SER HA H 30 4.580 4.580 5.259 -0.679 17821 1756 1 6 . 1 1 30 30 SER C C 30 173.300 173.300 173.344 -0.044 17821 1757 1 6 . 1 1 30 30 SER CA C 30 52.600 52.600 55.957 -3.357 17821 1758 1 6 . 1 1 30 30 SER CB C 30 59.400 59.400 62.513 -3.113 17821 1759 1 6 . 1 1 30 30 SER H H 30 8.270 8.270 8.248 0.022 17821 1760 1 6 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.285 -0.125 17821 1761 1 6 . 1 1 31 31 PRO CA C 31 61.800 61.800 65.036 -3.236 17821 1762 1 6 . 1 1 31 31 PRO CB C 31 29.300 29.300 31.784 -2.484 17821 1763 1 6 . 1 1 32 32 GLU N N 32 119.100 119.100 118.172 0.928 17821 1764 1 6 . 1 1 32 32 GLU HA H 32 4.060 4.060 4.029 0.031 17821 1765 1 6 . 1 1 32 32 GLU C C 32 177.300 177.300 178.458 -1.158 17821 1766 1 6 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.233 -2.333 17821 1767 1 6 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.221 -2.221 17821 1768 1 6 . 1 1 32 32 GLU H H 32 8.720 8.720 8.965 -0.245 17821 1769 1 6 . 1 1 33 33 THR N N 33 110.800 110.800 110.279 0.521 17821 1770 1 6 . 1 1 33 33 THR HA H 33 4.040 4.040 4.240 -0.200 17821 1771 1 6 . 1 1 33 33 THR C C 33 176.000 176.000 176.422 -0.422 17821 1772 1 6 . 1 1 33 33 THR CA C 33 61.700 61.700 65.144 -3.444 17821 1773 1 6 . 1 1 33 33 THR CB C 33 64.100 64.100 69.145 -5.045 17821 1774 1 6 . 1 1 33 33 THR H H 33 7.620 7.620 8.292 -0.672 17821 1775 1 6 . 1 1 34 34 LYS N N 34 127.100 127.100 122.377 4.723 17821 1776 1 6 . 1 1 34 34 LYS HA H 34 2.920 2.920 3.941 -1.021 17821 1777 1 6 . 1 1 34 34 LYS C C 34 174.300 174.300 178.436 -4.136 17821 1778 1 6 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.270 -1.970 17821 1779 1 6 . 1 1 34 34 LYS CB C 34 30.000 30.000 31.954 -1.954 17821 1780 1 6 . 1 1 34 34 LYS H H 34 7.740 7.740 7.717 0.023 17821 1781 1 6 . 1 1 35 35 LYS N N 35 118.500 118.500 119.692 -1.192 17821 1782 1 6 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.133 -0.243 17821 1783 1 6 . 1 1 35 35 LYS C C 35 176.500 176.500 178.859 -2.359 17821 1784 1 6 . 1 1 35 35 LYS CA C 35 56.700 56.700 58.833 -2.133 17821 1785 1 6 . 1 1 35 35 LYS CB C 35 29.500 29.500 31.850 -2.350 17821 1786 1 6 . 1 1 35 35 LYS H H 35 7.880 7.880 8.230 -0.350 17821 1787 1 6 . 1 1 36 36 ALA N N 36 120.100 120.100 122.516 -2.416 17821 1788 1 6 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.164 -0.124 17821 1789 1 6 . 1 1 36 36 ALA C C 36 177.600 177.600 179.442 -1.842 17821 1790 1 6 . 1 1 36 36 ALA CA C 36 52.000 52.000 54.962 -2.962 17821 1791 1 6 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.367 -2.967 17821 1792 1 6 . 1 1 36 36 ALA H H 36 7.490 7.490 8.133 -0.643 17821 1793 1 6 . 1 1 37 37 ARG N N 37 118.500 118.500 119.165 -0.665 17821 1794 1 6 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.898 -0.278 17821 1795 1 6 . 1 1 37 37 ARG C C 37 174.100 174.100 177.826 -3.726 17821 1796 1 6 . 1 1 37 37 ARG CA C 37 56.600 56.600 59.837 -3.237 17821 1797 1 6 . 1 1 37 37 ARG CB C 37 27.100 27.100 30.094 -2.994 17821 1798 1 6 . 1 1 37 37 ARG H H 37 7.630 7.630 8.318 -0.688 17821 1799 1 6 . 1 1 38 38 ASP N N 38 120.200 120.200 119.334 0.866 17821 1800 1 6 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.390 -0.120 17821 1801 1 6 . 1 1 38 38 ASP C C 38 175.500 175.500 178.460 -2.960 17821 1802 1 6 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.097 -2.397 17821 1803 1 6 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.197 -3.997 17821 1804 1 6 . 1 1 38 38 ASP H H 38 8.680 8.680 8.128 0.552 17821 1805 1 6 . 1 1 39 39 ALA N N 39 121.100 121.100 122.492 -1.392 17821 1806 1 6 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.060 -0.050 17821 1807 1 6 . 1 1 39 39 ALA C C 39 176.800 176.800 179.685 -2.885 17821 1808 1 6 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.200 -3.100 17821 1809 1 6 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.190 -2.990 17821 1810 1 6 . 1 1 39 39 ALA H H 39 8.040 8.040 8.120 -0.080 17821 1811 1 6 . 1 1 40 40 CYS N N 40 117.600 117.600 118.031 -0.431 17821 1812 1 6 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.217 -0.037 17821 1813 1 6 . 1 1 40 40 CYS C C 40 173.800 173.800 176.840 -3.040 17821 1814 1 6 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.862 -4.962 17821 1815 1 6 . 1 1 40 40 CYS CB C 40 36.400 36.400 26.132 10.268 17821 1816 1 6 . 1 1 40 40 CYS H H 40 7.340 7.340 8.043 -0.703 17821 1817 1 6 . 1 1 41 41 ILE N N 41 121.500 121.500 121.039 0.461 17821 1818 1 6 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.843 -0.793 17821 1819 1 6 . 1 1 41 41 ILE C C 41 176.100 176.100 178.458 -2.358 17821 1820 1 6 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.828 -1.428 17821 1821 1 6 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.910 -2.610 17821 1822 1 6 . 1 1 41 41 ILE H H 41 8.230 8.230 8.428 -0.198 17821 1823 1 6 . 1 1 42 42 ILE N N 42 119.200 119.200 120.424 -1.224 17821 1824 1 6 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.656 0.034 17821 1825 1 6 . 1 1 42 42 ILE C C 42 174.200 174.200 177.820 -3.620 17821 1826 1 6 . 1 1 42 42 ILE CA C 42 61.300 61.300 65.114 -3.814 17821 1827 1 6 . 1 1 42 42 ILE CB C 42 35.800 35.800 37.920 -2.120 17821 1828 1 6 . 1 1 42 42 ILE H H 42 7.770 7.770 8.361 -0.591 17821 1829 1 6 . 1 1 43 43 GLU N N 43 118.700 118.700 118.266 0.434 17821 1830 1 6 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.251 -0.201 17821 1831 1 6 . 1 1 43 43 GLU C C 43 175.300 175.300 177.813 -2.513 17821 1832 1 6 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.546 -2.246 17821 1833 1 6 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.358 -2.158 17821 1834 1 6 . 1 1 43 43 GLU H H 43 7.600 7.600 8.038 -0.438 17821 1835 1 6 . 1 1 44 44 LYS N N 44 114.600 114.600 116.111 -1.511 17821 1836 1 6 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.587 -0.137 17821 1837 1 6 . 1 1 44 44 LYS C C 44 174.500 174.500 175.850 -1.350 17821 1838 1 6 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.352 -2.552 17821 1839 1 6 . 1 1 44 44 LYS CB C 44 32.700 32.700 35.407 -2.707 17821 1840 1 6 . 1 1 44 44 LYS H H 44 8.860 8.860 8.563 0.297 17821 1841 1 6 . 1 1 45 45 GLY N N 45 108.700 108.700 108.373 0.327 17821 1842 1 6 . 1 1 45 45 GLY C C 45 171.000 171.000 174.773 -3.773 17821 1843 1 6 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.536 -3.236 17821 1844 1 6 . 1 1 45 45 GLY H H 45 7.690 7.690 7.928 -0.238 17821 1845 1 6 . 1 1 46 46 GLU N N 46 120.800 120.800 121.566 -0.766 17821 1846 1 6 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.906 -0.466 17821 1847 1 6 . 1 1 46 46 GLU C C 46 175.800 175.800 178.335 -2.535 17821 1848 1 6 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.254 -0.954 17821 1849 1 6 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.543 -2.443 17821 1850 1 6 . 1 1 46 46 GLU H H 46 8.900 8.900 9.006 -0.106 17821 1851 1 6 . 1 1 47 47 GLU N N 47 118.700 118.700 116.802 1.898 17821 1852 1 6 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.023 -0.083 17821 1853 1 6 . 1 1 47 47 GLU C C 47 174.300 174.300 177.172 -2.872 17821 1854 1 6 . 1 1 47 47 GLU CA C 47 55.900 55.900 57.867 -1.967 17821 1855 1 6 . 1 1 47 47 GLU CB C 47 25.500 25.500 28.943 -3.443 17821 1856 1 6 . 1 1 47 47 GLU H H 47 9.530 9.530 8.671 0.859 17821 1857 1 6 . 1 1 48 48 HIS N N 48 117.500 117.500 116.030 1.470 17821 1858 1 6 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.867 0.003 17821 1859 1 6 . 1 1 48 48 HIS C C 48 173.300 173.300 174.954 -1.654 17821 1860 1 6 . 1 1 48 48 HIS CA C 48 53.100 53.100 55.720 -2.620 17821 1861 1 6 . 1 1 48 48 HIS CB C 48 28.900 28.900 31.138 -2.238 17821 1862 1 6 . 1 1 48 48 HIS H H 48 7.500 7.500 7.836 -0.336 17821 1863 1 6 . 1 1 49 49 CYS N N 49 116.100 116.100 119.623 -3.523 17821 1864 1 6 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.948 0.102 17821 1865 1 6 . 1 1 49 49 CYS C C 49 173.700 173.700 175.535 -1.835 17821 1866 1 6 . 1 1 49 49 CYS CA C 49 51.700 51.700 57.830 -6.130 17821 1867 1 6 . 1 1 49 49 CYS CB C 49 39.500 39.500 26.999 12.501 17821 1868 1 6 . 1 1 49 49 CYS H H 49 7.460 7.460 7.848 -0.388 17821 1869 1 6 . 1 1 50 50 GLY N N 50 112.900 112.900 109.641 3.259 17821 1870 1 6 . 1 1 50 50 GLY C C 50 172.500 172.500 175.498 -2.998 17821 1871 1 6 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.763 -2.463 17821 1872 1 6 . 1 1 50 50 GLY H H 50 9.150 9.150 8.589 0.561 17821 1873 1 6 . 1 1 51 51 HIS C C 51 175.400 175.400 177.050 -1.650 17821 1874 1 6 . 1 1 51 51 HIS CA C 51 56.400 56.400 57.474 -1.074 17821 1875 1 6 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.860 -3.860 17821 1876 1 6 . 1 1 52 52 LEU N N 52 122.000 122.000 121.372 0.628 17821 1877 1 6 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.022 0.088 17821 1878 1 6 . 1 1 52 52 LEU C C 52 177.700 177.700 178.611 -0.911 17821 1879 1 6 . 1 1 52 52 LEU CA C 52 53.800 53.800 57.404 -3.604 17821 1880 1 6 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.291 -1.791 17821 1881 1 6 . 1 1 52 52 LEU H H 52 6.810 6.810 7.432 -0.622 17821 1882 1 6 . 1 1 53 53 ILE N N 53 124.200 124.200 120.081 4.119 17821 1883 1 6 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.592 -0.162 17821 1884 1 6 . 1 1 53 53 ILE C C 53 176.100 176.100 178.322 -2.222 17821 1885 1 6 . 1 1 53 53 ILE CA C 53 63.200 63.200 66.030 -2.830 17821 1886 1 6 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.835 -1.935 17821 1887 1 6 . 1 1 53 53 ILE H H 53 8.170 8.170 8.103 0.067 17821 1888 1 6 . 1 1 54 54 GLU N N 54 120.600 120.600 120.176 0.424 17821 1889 1 6 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.942 0.088 17821 1890 1 6 . 1 1 54 54 GLU C C 54 175.400 175.400 178.535 -3.135 17821 1891 1 6 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.888 -3.788 17821 1892 1 6 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.654 -3.655 17821 1893 1 6 . 1 1 54 54 GLU H H 54 8.380 8.380 8.157 0.223 17821 1894 1 6 . 1 1 55 55 ALA N N 55 120.800 120.800 121.813 -1.013 17821 1895 1 6 . 1 1 55 55 ALA HA H 55 4.120 4.120 3.911 0.209 17821 1896 1 6 . 1 1 55 55 ALA C C 55 177.900 177.900 179.100 -1.200 17821 1897 1 6 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.083 -2.883 17821 1898 1 6 . 1 1 55 55 ALA CB C 55 15.100 15.100 17.943 -2.843 17821 1899 1 6 . 1 1 55 55 ALA H H 55 7.880 7.880 7.788 0.092 17821 1900 1 6 . 1 1 56 56 HIS N N 56 117.400 117.400 119.665 -2.265 17821 1901 1 6 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.240 0.060 17821 1902 1 6 . 1 1 56 56 HIS C C 56 173.500 173.500 177.382 -3.882 17821 1903 1 6 . 1 1 56 56 HIS CA C 56 57.000 57.000 59.842 -2.842 17821 1904 1 6 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.301 -2.001 17821 1905 1 6 . 1 1 56 56 HIS H H 56 7.640 7.640 8.533 -0.893 17821 1906 1 6 . 1 1 57 57 LYS N N 57 119.200 119.200 118.786 0.414 17821 1907 1 6 . 1 1 57 57 LYS HA H 57 3.600 3.600 3.818 -0.218 17821 1908 1 6 . 1 1 57 57 LYS C C 57 176.200 176.200 179.060 -2.860 17821 1909 1 6 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.532 -1.932 17821 1910 1 6 . 1 1 57 57 LYS CB C 57 29.500 29.500 32.092 -2.592 17821 1911 1 6 . 1 1 57 57 LYS H H 57 7.620 7.620 8.117 -0.497 17821 1912 1 6 . 1 1 58 58 GLU N N 58 118.400 118.400 120.228 -1.828 17821 1913 1 6 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.060 -0.090 17821 1914 1 6 . 1 1 58 58 GLU C C 58 176.200 176.200 179.036 -2.836 17821 1915 1 6 . 1 1 58 58 GLU CA C 58 56.200 56.200 59.020 -2.820 17821 1916 1 6 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.427 -3.127 17821 1917 1 6 . 1 1 58 58 GLU H H 58 8.490 8.490 8.348 0.142 17821 1918 1 6 . 1 1 59 59 SER N N 59 116.100 116.100 115.056 1.044 17821 1919 1 6 . 1 1 59 59 SER HA H 59 4.150 4.150 4.199 -0.049 17821 1920 1 6 . 1 1 59 59 SER CA C 59 58.400 58.400 61.436 -3.036 17821 1921 1 6 . 1 1 59 59 SER CB C 59 60.300 60.300 63.215 -2.915 17821 1922 1 6 . 1 1 59 59 SER H H 59 7.790 7.790 8.304 -0.514 17821 1923 1 6 . 1 1 60 60 MET N N 60 117.500 117.500 117.376 0.124 17821 1924 1 6 . 1 1 60 60 MET HA H 60 4.170 4.170 4.379 -0.209 17821 1925 1 6 . 1 1 60 60 MET C C 60 176.400 176.400 177.867 -1.467 17821 1926 1 6 . 1 1 60 60 MET CA C 60 54.400 54.400 55.733 -1.333 17821 1927 1 6 . 1 1 60 60 MET CB C 60 29.100 29.100 32.677 -3.577 17821 1928 1 6 . 1 1 60 60 MET H H 60 7.880 7.880 7.802 0.078 17821 1929 1 6 . 1 1 61 61 ARG N N 61 121.300 121.300 121.812 -0.512 17821 1930 1 6 . 1 1 61 61 ARG HA H 61 4.170 4.170 4.010 0.160 17821 1931 1 6 . 1 1 61 61 ARG C C 61 177.500 177.500 178.327 -0.827 17821 1932 1 6 . 1 1 61 61 ARG CA C 61 56.100 56.100 58.639 -2.539 17821 1933 1 6 . 1 1 61 61 ARG CB C 61 27.500 27.500 29.739 -2.239 17821 1934 1 6 . 1 1 61 61 ARG H H 61 8.290 8.290 8.231 0.059 17821 1935 1 6 . 1 1 62 62 ALA N N 62 123.200 123.200 123.291 -0.091 17821 1936 1 6 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.077 -0.007 17821 1937 1 6 . 1 1 62 62 ALA C C 62 176.400 176.400 178.526 -2.126 17821 1938 1 6 . 1 1 62 62 ALA CA C 62 51.500 51.500 54.478 -2.978 17821 1939 1 6 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.379 -3.279 17821 1940 1 6 . 1 1 62 62 ALA H H 62 7.950 7.950 8.012 -0.062 17821 1941 1 6 . 1 1 63 63 LEU N N 63 117.500 117.500 117.176 0.324 17821 1942 1 6 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.167 0.033 17821 1943 1 6 . 1 1 63 63 LEU C C 63 174.400 174.400 177.227 -2.827 17821 1944 1 6 . 1 1 63 63 LEU CA C 63 52.900 52.900 53.959 -1.059 17821 1945 1 6 . 1 1 63 63 LEU CB C 63 39.800 39.800 40.637 -0.837 17821 1946 1 6 . 1 1 63 63 LEU H H 63 7.450 7.450 7.475 -0.025 17821 1947 1 6 . 1 1 64 64 GLY N N 64 106.300 106.300 108.364 -2.064 17821 1948 1 6 . 1 1 64 64 GLY C C 64 171.400 171.400 175.052 -3.652 17821 1949 1 6 . 1 1 64 64 GLY CA C 64 42.100 42.100 46.182 -4.082 17821 1950 1 6 . 1 1 64 64 GLY H H 64 7.780 7.780 7.845 -0.065 17821 1951 1 6 . 1 1 65 65 PHE N N 65 119.800 119.800 115.272 4.528 17821 1952 1 6 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.850 -0.380 17821 1953 1 6 . 1 1 65 65 PHE C C 65 172.300 172.300 174.819 -2.519 17821 1954 1 6 . 1 1 65 65 PHE CA C 65 54.900 54.900 54.731 0.169 17821 1955 1 6 . 1 1 65 65 PHE CB C 65 36.900 36.900 38.494 -1.594 17821 1956 1 6 . 1 1 65 65 PHE H H 65 7.840 7.840 7.316 0.524 17821 1957 1 6 . 1 1 66 66 LYS N N 66 124.000 124.000 121.382 2.618 17821 1958 1 6 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.447 -0.187 17821 1959 1 6 . 1 1 66 66 LYS C C 66 172.200 172.200 175.553 -3.353 17821 1960 1 6 . 1 1 66 66 LYS CA C 66 53.200 53.200 56.986 -3.787 17821 1961 1 6 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.327 -4.027 17821 1962 1 6 . 1 1 66 66 LYS H H 66 8.370 8.370 8.283 0.087 17821 1963 1 7 . 1 1 4 4 THR N N 4 117.400 117.400 118.494 -1.094 17821 1964 1 7 . 1 1 4 4 THR HA H 4 4.130 4.130 4.392 -0.262 17821 1965 1 7 . 1 1 4 4 THR C C 4 170.800 170.800 174.119 -3.319 17821 1966 1 7 . 1 1 4 4 THR CA C 4 58.800 58.800 63.411 -4.611 17821 1967 1 7 . 1 1 4 4 THR CB C 4 67.000 67.000 69.185 -2.185 17821 1968 1 7 . 1 1 4 4 THR H H 4 7.980 7.980 8.561 -0.581 17821 1969 1 7 . 1 1 5 5 MET N N 5 124.400 124.400 126.253 -1.853 17821 1970 1 7 . 1 1 5 5 MET C C 5 171.200 171.200 174.425 -3.225 17821 1971 1 7 . 1 1 5 5 MET CA C 5 50.400 50.400 52.760 -2.360 17821 1972 1 7 . 1 1 5 5 MET CB C 5 29.600 29.600 33.139 -3.539 17821 1973 1 7 . 1 1 5 5 MET H H 5 8.250 8.250 8.291 -0.041 17821 1974 1 7 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.530 -0.250 17821 1975 1 7 . 1 1 6 6 PRO CA C 6 60.500 60.500 63.068 -2.567 17821 1976 1 7 . 1 1 6 6 PRO CB C 6 29.200 29.200 32.114 -2.914 17821 1977 1 7 . 1 1 7 7 GLY N N 7 109.000 109.000 111.258 -2.258 17821 1978 1 7 . 1 1 7 7 GLY C C 7 171.200 171.200 174.860 -3.660 17821 1979 1 7 . 1 1 7 7 GLY CA C 7 42.400 42.400 45.643 -3.243 17821 1980 1 7 . 1 1 7 7 GLY H H 7 8.360 8.360 8.583 -0.223 17821 1981 1 7 . 1 1 8 8 LEU N N 8 121.700 121.700 121.316 0.384 17821 1982 1 7 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.628 -0.368 17821 1983 1 7 . 1 1 8 8 LEU C C 8 174.600 174.600 176.627 -2.027 17821 1984 1 7 . 1 1 8 8 LEU CA C 8 52.300 52.300 54.841 -2.541 17821 1985 1 7 . 1 1 8 8 LEU CB C 8 39.400 39.400 41.841 -2.441 17821 1986 1 7 . 1 1 8 8 LEU H H 8 7.920 7.920 8.310 -0.390 17821 1987 1 7 . 1 1 9 9 VAL N N 9 120.900 120.900 116.753 4.147 17821 1988 1 7 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.493 -0.513 17821 1989 1 7 . 1 1 9 9 VAL C C 9 172.900 172.900 174.909 -2.009 17821 1990 1 7 . 1 1 9 9 VAL CA C 9 59.400 59.400 61.115 -1.715 17821 1991 1 7 . 1 1 9 9 VAL CB C 9 30.000 30.000 33.910 -3.910 17821 1992 1 7 . 1 1 9 9 VAL H H 9 8.050 8.050 7.686 0.364 17821 1993 1 7 . 1 1 10 10 ASP N N 10 124.300 124.300 127.845 -3.545 17821 1994 1 7 . 1 1 10 10 ASP HA H 10 4.470 4.470 5.036 -0.566 17821 1995 1 7 . 1 1 10 10 ASP C C 10 173.100 173.100 175.206 -2.106 17821 1996 1 7 . 1 1 10 10 ASP CA C 10 51.500 51.500 54.244 -2.744 17821 1997 1 7 . 1 1 10 10 ASP CB C 10 38.300 38.300 40.731 -2.431 17821 1998 1 7 . 1 1 10 10 ASP H H 10 8.300 8.300 8.609 -0.309 17821 1999 1 7 . 1 1 11 11 SER N N 11 116.400 116.400 117.462 -1.062 17821 2000 1 7 . 1 1 11 11 SER HA H 11 4.290 4.290 4.755 -0.465 17821 2001 1 7 . 1 1 11 11 SER C C 11 171.200 171.200 173.329 -2.129 17821 2002 1 7 . 1 1 11 11 SER CA C 11 55.500 55.500 57.696 -2.196 17821 2003 1 7 . 1 1 11 11 SER CB C 11 60.900 60.900 64.475 -3.575 17821 2004 1 7 . 1 1 11 11 SER H H 11 8.130 8.130 8.479 -0.349 17821 2005 1 7 . 1 1 12 12 ASN N N 12 121.600 121.600 121.383 0.217 17821 2006 1 7 . 1 1 12 12 ASN HA H 12 4.230 4.230 4.992 -0.762 17821 2007 1 7 . 1 1 12 12 ASN C C 12 170.000 170.000 173.119 -3.119 17821 2008 1 7 . 1 1 12 12 ASN CA C 12 56.500 56.500 51.576 4.924 17821 2009 1 7 . 1 1 12 12 ASN CB C 12 36.000 36.000 38.571 -2.571 17821 2010 1 7 . 1 1 12 12 ASN H H 12 8.360 8.360 8.439 -0.079 17821 2011 1 7 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.561 -0.271 17821 2012 1 7 . 1 1 13 13 PRO CA C 13 60.300 60.300 62.833 -2.533 17821 2013 1 7 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.698 -3.498 17821 2014 1 7 . 1 1 14 14 ALA N N 14 125.700 125.700 127.208 -1.508 17821 2015 1 7 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.506 -0.096 17821 2016 1 7 . 1 1 14 14 ALA C C 14 172.200 172.200 176.371 -4.171 17821 2017 1 7 . 1 1 14 14 ALA CA C 14 47.500 47.500 50.680 -3.180 17821 2018 1 7 . 1 1 14 14 ALA CB C 14 15.100 15.100 18.770 -3.670 17821 2019 1 7 . 1 1 14 14 ALA H H 14 8.260 8.260 8.231 0.029 17821 2020 1 7 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.456 -0.176 17821 2021 1 7 . 1 1 16 16 PRO CA C 16 60.500 60.500 62.764 -2.264 17821 2022 1 7 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.750 -3.550 17821 2023 1 7 . 1 1 17 17 GLU N N 17 120.600 120.600 123.769 -3.169 17821 2024 1 7 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.207 -0.087 17821 2025 1 7 . 1 1 17 17 GLU C C 17 173.900 173.900 175.976 -2.076 17821 2026 1 7 . 1 1 17 17 GLU CA C 17 54.100 54.100 57.020 -2.920 17821 2027 1 7 . 1 1 17 17 GLU CB C 17 27.100 27.100 30.067 -2.967 17821 2028 1 7 . 1 1 17 17 GLU H H 17 8.550 8.550 8.494 0.056 17821 2029 1 7 . 1 1 18 18 SER N N 18 116.400 116.400 117.655 -1.255 17821 2030 1 7 . 1 1 18 18 SER HA H 18 4.310 4.310 4.429 -0.119 17821 2031 1 7 . 1 1 18 18 SER C C 18 171.900 171.900 174.249 -2.349 17821 2032 1 7 . 1 1 18 18 SER CA C 18 55.600 55.600 57.611 -2.011 17821 2033 1 7 . 1 1 18 18 SER CB C 18 60.800 60.800 64.520 -3.720 17821 2034 1 7 . 1 1 18 18 SER H H 18 8.240 8.240 8.179 0.061 17821 2035 1 7 . 1 1 19 19 GLN N N 19 122.300 122.300 121.267 1.033 17821 2036 1 7 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.366 -0.166 17821 2037 1 7 . 1 1 19 19 GLN C C 19 173.100 173.100 176.106 -3.006 17821 2038 1 7 . 1 1 19 19 GLN CA C 19 53.000 53.000 55.778 -2.777 17821 2039 1 7 . 1 1 19 19 GLN CB C 19 26.500 26.500 29.303 -2.803 17821 2040 1 7 . 1 1 19 19 GLN H H 19 8.310 8.310 8.433 -0.123 17821 2041 1 7 . 1 1 20 20 GLU N N 20 121.600 121.600 121.460 0.140 17821 2042 1 7 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.362 -0.072 17821 2043 1 7 . 1 1 20 20 GLU C C 20 173.500 173.500 176.316 -2.816 17821 2044 1 7 . 1 1 20 20 GLU CA C 20 53.900 53.900 56.522 -2.622 17821 2045 1 7 . 1 1 20 20 GLU CB C 20 27.400 27.400 30.025 -2.625 17821 2046 1 7 . 1 1 20 20 GLU H H 20 8.240 8.240 8.615 -0.375 17821 2047 1 7 . 1 1 21 21 LYS N N 21 122.900 122.900 123.662 -0.762 17821 2048 1 7 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.501 -0.321 17821 2049 1 7 . 1 1 21 21 LYS C C 21 173.400 173.400 175.436 -2.036 17821 2050 1 7 . 1 1 21 21 LYS CA C 21 53.300 53.300 55.987 -2.688 17821 2051 1 7 . 1 1 21 21 LYS CB C 21 29.800 29.800 33.999 -4.199 17821 2052 1 7 . 1 1 21 21 LYS H H 21 8.260 8.260 8.400 -0.140 17821 2053 1 7 . 1 1 22 22 LYS N N 22 124.000 124.000 124.174 -0.174 17821 2054 1 7 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.658 -0.208 17821 2055 1 7 . 1 1 22 22 LYS C C 22 171.500 171.500 174.572 -3.072 17821 2056 1 7 . 1 1 22 22 LYS CA C 22 51.200 51.200 54.382 -3.182 17821 2057 1 7 . 1 1 22 22 LYS CB C 22 29.500 29.500 32.782 -3.283 17821 2058 1 7 . 1 1 22 22 LYS H H 22 8.220 8.220 8.802 -0.582 17821 2059 1 7 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.497 -0.207 17821 2060 1 7 . 1 1 23 23 PRO CA C 23 60.100 60.100 62.587 -2.486 17821 2061 1 7 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.467 -3.267 17821 2062 1 7 . 1 1 24 24 LEU N N 24 122.700 122.700 123.156 -0.456 17821 2063 1 7 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.606 -0.446 17821 2064 1 7 . 1 1 24 24 LEU C C 24 174.400 174.400 176.084 -1.684 17821 2065 1 7 . 1 1 24 24 LEU CA C 24 52.400 52.400 54.185 -1.786 17821 2066 1 7 . 1 1 24 24 LEU CB C 24 39.600 39.600 42.882 -3.282 17821 2067 1 7 . 1 1 24 24 LEU H H 24 8.270 8.270 8.263 0.007 17821 2068 1 7 . 1 1 25 25 LYS N N 25 123.400 123.400 127.782 -4.382 17821 2069 1 7 . 1 1 25 25 LYS C C 25 171.600 171.600 175.188 -3.588 17821 2070 1 7 . 1 1 25 25 LYS CA C 25 50.900 50.900 54.025 -3.125 17821 2071 1 7 . 1 1 25 25 LYS CB C 25 29.800 29.800 32.690 -2.890 17821 2072 1 7 . 1 1 25 25 LYS H H 25 8.180 8.180 8.505 -0.325 17821 2073 1 7 . 1 1 28 28 CYS CA C 28 46.000 46.000 59.017 -13.017 17821 2074 1 7 . 1 1 28 28 CYS CB C 28 31.000 31.000 29.223 1.777 17821 2075 1 7 . 1 1 29 29 ALA N N 29 123.800 123.800 121.656 2.144 17821 2076 1 7 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.559 -0.408 17821 2077 1 7 . 1 1 29 29 ALA C C 29 173.200 173.200 175.391 -2.191 17821 2078 1 7 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.143 -1.443 17821 2079 1 7 . 1 1 29 29 ALA CB C 29 17.600 17.600 21.355 -3.755 17821 2080 1 7 . 1 1 29 29 ALA H H 29 8.050 8.050 7.917 0.133 17821 2081 1 7 . 1 1 30 30 SER N N 30 112.800 112.800 114.402 -1.602 17821 2082 1 7 . 1 1 30 30 SER HA H 30 4.580 4.580 4.990 -0.410 17821 2083 1 7 . 1 1 30 30 SER C C 30 173.300 173.300 173.651 -0.351 17821 2084 1 7 . 1 1 30 30 SER CA C 30 52.600 52.600 56.175 -3.575 17821 2085 1 7 . 1 1 30 30 SER CB C 30 59.400 59.400 62.655 -3.255 17821 2086 1 7 . 1 1 30 30 SER H H 30 8.270 8.270 8.750 -0.480 17821 2087 1 7 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.294 -0.134 17821 2088 1 7 . 1 1 31 31 PRO CA C 31 61.800 61.800 64.863 -3.063 17821 2089 1 7 . 1 1 31 31 PRO CB C 31 29.300 29.300 31.995 -2.696 17821 2090 1 7 . 1 1 32 32 GLU N N 32 119.100 119.100 118.466 0.634 17821 2091 1 7 . 1 1 32 32 GLU HA H 32 4.060 4.060 4.025 0.035 17821 2092 1 7 . 1 1 32 32 GLU C C 32 177.300 177.300 178.457 -1.157 17821 2093 1 7 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.507 -2.607 17821 2094 1 7 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.884 -2.884 17821 2095 1 7 . 1 1 32 32 GLU H H 32 8.720 8.720 8.856 -0.136 17821 2096 1 7 . 1 1 33 33 THR N N 33 110.800 110.800 112.407 -1.607 17821 2097 1 7 . 1 1 33 33 THR HA H 33 4.040 4.040 4.105 -0.065 17821 2098 1 7 . 1 1 33 33 THR C C 33 176.000 176.000 176.140 -0.140 17821 2099 1 7 . 1 1 33 33 THR CA C 33 61.700 61.700 66.622 -4.922 17821 2100 1 7 . 1 1 33 33 THR CB C 33 64.100 64.100 68.686 -4.587 17821 2101 1 7 . 1 1 33 33 THR H H 33 7.620 7.620 8.281 -0.661 17821 2102 1 7 . 1 1 34 34 LYS N N 34 127.100 127.100 122.177 4.923 17821 2103 1 7 . 1 1 34 34 LYS HA H 34 2.920 2.920 3.809 -0.889 17821 2104 1 7 . 1 1 34 34 LYS C C 34 174.300 174.300 178.257 -3.957 17821 2105 1 7 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.232 -1.932 17821 2106 1 7 . 1 1 34 34 LYS CB C 34 30.000 30.000 31.501 -1.501 17821 2107 1 7 . 1 1 34 34 LYS H H 34 7.740 7.740 8.118 -0.378 17821 2108 1 7 . 1 1 35 35 LYS N N 35 118.500 118.500 120.281 -1.781 17821 2109 1 7 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.094 -0.204 17821 2110 1 7 . 1 1 35 35 LYS C C 35 176.500 176.500 178.935 -2.435 17821 2111 1 7 . 1 1 35 35 LYS CA C 35 56.700 56.700 59.224 -2.524 17821 2112 1 7 . 1 1 35 35 LYS CB C 35 29.500 29.500 32.000 -2.500 17821 2113 1 7 . 1 1 35 35 LYS H H 35 7.880 7.880 8.171 -0.291 17821 2114 1 7 . 1 1 36 36 ALA N N 36 120.100 120.100 121.702 -1.602 17821 2115 1 7 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.180 -0.140 17821 2116 1 7 . 1 1 36 36 ALA C C 36 177.600 177.600 179.577 -1.977 17821 2117 1 7 . 1 1 36 36 ALA CA C 36 52.000 52.000 54.806 -2.806 17821 2118 1 7 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.368 -2.968 17821 2119 1 7 . 1 1 36 36 ALA H H 36 7.490 7.490 8.092 -0.602 17821 2120 1 7 . 1 1 37 37 ARG N N 37 118.500 118.500 119.472 -0.972 17821 2121 1 7 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.938 -0.318 17821 2122 1 7 . 1 1 37 37 ARG C C 37 174.100 174.100 177.800 -3.700 17821 2123 1 7 . 1 1 37 37 ARG CA C 37 56.600 56.600 59.798 -3.198 17821 2124 1 7 . 1 1 37 37 ARG CB C 37 27.100 27.100 30.156 -3.056 17821 2125 1 7 . 1 1 37 37 ARG H H 37 7.630 7.630 8.186 -0.556 17821 2126 1 7 . 1 1 38 38 ASP N N 38 120.200 120.200 119.715 0.485 17821 2127 1 7 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.278 -0.008 17821 2128 1 7 . 1 1 38 38 ASP C C 38 175.500 175.500 178.477 -2.977 17821 2129 1 7 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.315 -2.615 17821 2130 1 7 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.147 -3.947 17821 2131 1 7 . 1 1 38 38 ASP H H 38 8.680 8.680 8.320 0.360 17821 2132 1 7 . 1 1 39 39 ALA N N 39 121.100 121.100 122.035 -0.935 17821 2133 1 7 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.051 -0.041 17821 2134 1 7 . 1 1 39 39 ALA C C 39 176.800 176.800 179.605 -2.805 17821 2135 1 7 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.384 -3.284 17821 2136 1 7 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.245 -3.045 17821 2137 1 7 . 1 1 39 39 ALA H H 39 8.040 8.040 8.046 -0.006 17821 2138 1 7 . 1 1 40 40 CYS N N 40 117.600 117.600 117.886 -0.286 17821 2139 1 7 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.216 -0.036 17821 2140 1 7 . 1 1 40 40 CYS C C 40 173.800 173.800 176.965 -3.165 17821 2141 1 7 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.862 -4.962 17821 2142 1 7 . 1 1 40 40 CYS CB C 40 36.400 36.400 26.039 10.361 17821 2143 1 7 . 1 1 40 40 CYS H H 40 7.340 7.340 8.026 -0.686 17821 2144 1 7 . 1 1 41 41 ILE N N 41 121.500 121.500 121.041 0.459 17821 2145 1 7 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.730 -0.680 17821 2146 1 7 . 1 1 41 41 ILE C C 41 176.100 176.100 178.363 -2.263 17821 2147 1 7 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.579 -1.179 17821 2148 1 7 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.724 -2.425 17821 2149 1 7 . 1 1 41 41 ILE H H 41 8.230 8.230 8.502 -0.272 17821 2150 1 7 . 1 1 42 42 ILE N N 42 119.200 119.200 120.224 -1.024 17821 2151 1 7 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.664 0.026 17821 2152 1 7 . 1 1 42 42 ILE C C 42 174.200 174.200 177.963 -3.763 17821 2153 1 7 . 1 1 42 42 ILE CA C 42 61.300 61.300 65.075 -3.775 17821 2154 1 7 . 1 1 42 42 ILE CB C 42 35.800 35.800 37.968 -2.167 17821 2155 1 7 . 1 1 42 42 ILE H H 42 7.770 7.770 8.300 -0.530 17821 2156 1 7 . 1 1 43 43 GLU N N 43 118.700 118.700 118.385 0.315 17821 2157 1 7 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.208 -0.158 17821 2158 1 7 . 1 1 43 43 GLU C C 43 175.300 175.300 177.791 -2.491 17821 2159 1 7 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.714 -2.414 17821 2160 1 7 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.331 -2.131 17821 2161 1 7 . 1 1 43 43 GLU H H 43 7.600 7.600 8.335 -0.735 17821 2162 1 7 . 1 1 44 44 LYS N N 44 114.600 114.600 115.736 -1.136 17821 2163 1 7 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.667 -0.217 17821 2164 1 7 . 1 1 44 44 LYS C C 44 174.500 174.500 176.497 -1.997 17821 2165 1 7 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.163 -2.363 17821 2166 1 7 . 1 1 44 44 LYS CB C 44 32.700 32.700 35.519 -2.819 17821 2167 1 7 . 1 1 44 44 LYS H H 44 8.860 8.860 8.229 0.631 17821 2168 1 7 . 1 1 45 45 GLY N N 45 108.700 108.700 109.118 -0.418 17821 2169 1 7 . 1 1 45 45 GLY C C 45 171.000 171.000 175.023 -4.023 17821 2170 1 7 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.451 -3.151 17821 2171 1 7 . 1 1 45 45 GLY H H 45 7.690 7.690 7.695 -0.005 17821 2172 1 7 . 1 1 46 46 GLU N N 46 120.800 120.800 122.175 -1.375 17821 2173 1 7 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.942 -0.502 17821 2174 1 7 . 1 1 46 46 GLU C C 46 175.800 175.800 178.170 -2.370 17821 2175 1 7 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.357 -1.057 17821 2176 1 7 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.446 -2.346 17821 2177 1 7 . 1 1 46 46 GLU H H 46 8.900 8.900 8.945 -0.045 17821 2178 1 7 . 1 1 47 47 GLU N N 47 118.700 118.700 116.996 1.704 17821 2179 1 7 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.184 -0.244 17821 2180 1 7 . 1 1 47 47 GLU C C 47 174.300 174.300 177.354 -3.054 17821 2181 1 7 . 1 1 47 47 GLU CA C 47 55.900 55.900 57.552 -1.652 17821 2182 1 7 . 1 1 47 47 GLU CB C 47 25.500 25.500 28.906 -3.406 17821 2183 1 7 . 1 1 47 47 GLU H H 47 9.530 9.530 8.553 0.977 17821 2184 1 7 . 1 1 48 48 HIS N N 48 117.500 117.500 116.519 0.981 17821 2185 1 7 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.919 -0.049 17821 2186 1 7 . 1 1 48 48 HIS C C 48 173.300 173.300 174.139 -0.839 17821 2187 1 7 . 1 1 48 48 HIS CA C 48 53.100 53.100 54.536 -1.436 17821 2188 1 7 . 1 1 48 48 HIS CB C 48 28.900 28.900 30.501 -1.601 17821 2189 1 7 . 1 1 48 48 HIS H H 48 7.500 7.500 7.770 -0.270 17821 2190 1 7 . 1 1 49 49 CYS N N 49 116.100 116.100 118.695 -2.595 17821 2191 1 7 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.867 0.183 17821 2192 1 7 . 1 1 49 49 CYS C C 49 173.700 173.700 175.502 -1.802 17821 2193 1 7 . 1 1 49 49 CYS CA C 49 51.700 51.700 58.129 -6.429 17821 2194 1 7 . 1 1 49 49 CYS CB C 49 39.500 39.500 27.699 11.801 17821 2195 1 7 . 1 1 49 49 CYS H H 49 7.460 7.460 7.396 0.064 17821 2196 1 7 . 1 1 50 50 GLY N N 50 112.900 112.900 111.385 1.515 17821 2197 1 7 . 1 1 50 50 GLY C C 50 172.500 172.500 175.748 -3.248 17821 2198 1 7 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.584 -2.284 17821 2199 1 7 . 1 1 50 50 GLY H H 50 9.150 9.150 8.616 0.534 17821 2200 1 7 . 1 1 51 51 HIS C C 51 175.400 175.400 176.847 -1.447 17821 2201 1 7 . 1 1 51 51 HIS CA C 51 56.400 56.400 58.042 -1.642 17821 2202 1 7 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.579 -3.579 17821 2203 1 7 . 1 1 52 52 LEU N N 52 122.000 122.000 121.552 0.448 17821 2204 1 7 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.245 -0.135 17821 2205 1 7 . 1 1 52 52 LEU C C 52 177.700 177.700 179.023 -1.323 17821 2206 1 7 . 1 1 52 52 LEU CA C 52 53.800 53.800 57.207 -3.407 17821 2207 1 7 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.410 -1.910 17821 2208 1 7 . 1 1 52 52 LEU H H 52 6.810 6.810 7.487 -0.677 17821 2209 1 7 . 1 1 53 53 ILE N N 53 124.200 124.200 120.828 3.372 17821 2210 1 7 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.624 -0.194 17821 2211 1 7 . 1 1 53 53 ILE C C 53 176.100 176.100 178.301 -2.201 17821 2212 1 7 . 1 1 53 53 ILE CA C 53 63.200 63.200 66.236 -3.035 17821 2213 1 7 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.882 -1.982 17821 2214 1 7 . 1 1 53 53 ILE H H 53 8.170 8.170 8.734 -0.564 17821 2215 1 7 . 1 1 54 54 GLU N N 54 120.600 120.600 119.977 0.623 17821 2216 1 7 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.953 0.077 17821 2217 1 7 . 1 1 54 54 GLU C C 54 175.400 175.400 178.678 -3.278 17821 2218 1 7 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.860 -3.760 17821 2219 1 7 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.558 -3.558 17821 2220 1 7 . 1 1 54 54 GLU H H 54 8.380 8.380 8.222 0.158 17821 2221 1 7 . 1 1 55 55 ALA N N 55 120.800 120.800 122.410 -1.610 17821 2222 1 7 . 1 1 55 55 ALA HA H 55 4.120 4.120 4.092 0.028 17821 2223 1 7 . 1 1 55 55 ALA C C 55 177.900 177.900 179.361 -1.461 17821 2224 1 7 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.047 -2.847 17821 2225 1 7 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.296 -3.196 17821 2226 1 7 . 1 1 55 55 ALA H H 55 7.880 7.880 7.944 -0.064 17821 2227 1 7 . 1 1 56 56 HIS N N 56 117.400 117.400 119.149 -1.749 17821 2228 1 7 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.284 0.016 17821 2229 1 7 . 1 1 56 56 HIS C C 56 173.500 173.500 177.277 -3.777 17821 2230 1 7 . 1 1 56 56 HIS CA C 56 57.000 57.000 59.955 -2.955 17821 2231 1 7 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.482 -2.182 17821 2232 1 7 . 1 1 56 56 HIS H H 56 7.640 7.640 8.579 -0.939 17821 2233 1 7 . 1 1 57 57 LYS N N 57 119.200 119.200 118.956 0.244 17821 2234 1 7 . 1 1 57 57 LYS HA H 57 3.600 3.600 3.834 -0.234 17821 2235 1 7 . 1 1 57 57 LYS C C 57 176.200 176.200 178.868 -2.668 17821 2236 1 7 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.727 -2.127 17821 2237 1 7 . 1 1 57 57 LYS CB C 57 29.500 29.500 31.997 -2.497 17821 2238 1 7 . 1 1 57 57 LYS H H 57 7.620 7.620 8.224 -0.604 17821 2239 1 7 . 1 1 58 58 GLU N N 58 118.400 118.400 120.022 -1.622 17821 2240 1 7 . 1 1 58 58 GLU HA H 58 3.970 3.970 3.995 -0.025 17821 2241 1 7 . 1 1 58 58 GLU C C 58 176.200 176.200 178.827 -2.627 17821 2242 1 7 . 1 1 58 58 GLU CA C 58 56.200 56.200 59.270 -3.071 17821 2243 1 7 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.358 -3.058 17821 2244 1 7 . 1 1 58 58 GLU H H 58 8.490 8.490 8.383 0.107 17821 2245 1 7 . 1 1 59 59 SER N N 59 116.100 116.100 115.085 1.015 17821 2246 1 7 . 1 1 59 59 SER HA H 59 4.150 4.150 4.246 -0.096 17821 2247 1 7 . 1 1 59 59 SER CA C 59 58.400 58.400 61.054 -2.654 17821 2248 1 7 . 1 1 59 59 SER CB C 59 60.300 60.300 63.141 -2.841 17821 2249 1 7 . 1 1 59 59 SER H H 59 7.790 7.790 7.970 -0.180 17821 2250 1 7 . 1 1 60 60 MET N N 60 117.500 117.500 118.691 -1.191 17821 2251 1 7 . 1 1 60 60 MET HA H 60 4.170 4.170 4.374 -0.204 17821 2252 1 7 . 1 1 60 60 MET C C 60 176.400 176.400 177.516 -1.116 17821 2253 1 7 . 1 1 60 60 MET CA C 60 54.400 54.400 56.645 -2.245 17821 2254 1 7 . 1 1 60 60 MET CB C 60 29.100 29.100 32.852 -3.752 17821 2255 1 7 . 1 1 60 60 MET H H 60 7.880 7.880 7.853 0.027 17821 2256 1 7 . 1 1 61 61 ARG N N 61 121.300 121.300 121.811 -0.511 17821 2257 1 7 . 1 1 61 61 ARG HA H 61 4.170 4.170 4.146 0.024 17821 2258 1 7 . 1 1 61 61 ARG C C 61 177.500 177.500 178.832 -1.332 17821 2259 1 7 . 1 1 61 61 ARG CA C 61 56.100 56.100 59.286 -3.186 17821 2260 1 7 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.273 -2.773 17821 2261 1 7 . 1 1 61 61 ARG H H 61 8.290 8.290 8.298 -0.008 17821 2262 1 7 . 1 1 62 62 ALA N N 62 123.200 123.200 122.906 0.294 17821 2263 1 7 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.085 -0.015 17821 2264 1 7 . 1 1 62 62 ALA C C 62 176.400 176.400 178.588 -2.188 17821 2265 1 7 . 1 1 62 62 ALA CA C 62 51.500 51.500 54.453 -2.953 17821 2266 1 7 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.411 -3.311 17821 2267 1 7 . 1 1 62 62 ALA H H 62 7.950 7.950 7.990 -0.040 17821 2268 1 7 . 1 1 63 63 LEU N N 63 117.500 117.500 117.720 -0.220 17821 2269 1 7 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.156 0.044 17821 2270 1 7 . 1 1 63 63 LEU C C 63 174.400 174.400 177.738 -3.338 17821 2271 1 7 . 1 1 63 63 LEU CA C 63 52.900 52.900 54.300 -1.400 17821 2272 1 7 . 1 1 63 63 LEU CB C 63 39.800 39.800 41.066 -1.266 17821 2273 1 7 . 1 1 63 63 LEU H H 63 7.450 7.450 7.246 0.204 17821 2274 1 7 . 1 1 64 64 GLY N N 64 106.300 106.300 108.074 -1.774 17821 2275 1 7 . 1 1 64 64 GLY C C 64 171.400 171.400 175.019 -3.619 17821 2276 1 7 . 1 1 64 64 GLY CA C 64 42.100 42.100 45.979 -3.879 17821 2277 1 7 . 1 1 64 64 GLY H H 64 7.780 7.780 7.831 -0.051 17821 2278 1 7 . 1 1 65 65 PHE N N 65 119.800 119.800 115.368 4.432 17821 2279 1 7 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.816 -0.346 17821 2280 1 7 . 1 1 65 65 PHE C C 65 172.300 172.300 174.357 -2.057 17821 2281 1 7 . 1 1 65 65 PHE CA C 65 54.900 54.900 54.642 0.258 17821 2282 1 7 . 1 1 65 65 PHE CB C 65 36.900 36.900 39.124 -2.224 17821 2283 1 7 . 1 1 65 65 PHE H H 65 7.840 7.840 7.274 0.566 17821 2284 1 7 . 1 1 66 66 LYS N N 66 124.000 124.000 121.845 2.155 17821 2285 1 7 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.560 -0.300 17821 2286 1 7 . 1 1 66 66 LYS C C 66 172.200 172.200 175.625 -3.425 17821 2287 1 7 . 1 1 66 66 LYS CA C 66 53.200 53.200 55.485 -2.285 17821 2288 1 7 . 1 1 66 66 LYS CB C 66 29.300 29.300 34.769 -5.469 17821 2289 1 7 . 1 1 66 66 LYS H H 66 8.370 8.370 7.709 0.661 17821 2290 1 8 . 1 1 4 4 THR N N 4 117.400 117.400 117.681 -0.281 17821 2291 1 8 . 1 1 4 4 THR HA H 4 4.130 4.130 4.495 -0.365 17821 2292 1 8 . 1 1 4 4 THR C C 4 170.800 170.800 172.552 -1.752 17821 2293 1 8 . 1 1 4 4 THR CA C 4 58.800 58.800 60.721 -1.921 17821 2294 1 8 . 1 1 4 4 THR CB C 4 67.000 67.000 70.326 -3.326 17821 2295 1 8 . 1 1 4 4 THR H H 4 7.980 7.980 7.675 0.305 17821 2296 1 8 . 1 1 5 5 MET N N 5 124.400 124.400 121.078 3.322 17821 2297 1 8 . 1 1 5 5 MET C C 5 171.200 171.200 175.036 -3.836 17821 2298 1 8 . 1 1 5 5 MET CA C 5 50.400 50.400 52.921 -2.521 17821 2299 1 8 . 1 1 5 5 MET CB C 5 29.600 29.600 31.611 -2.011 17821 2300 1 8 . 1 1 5 5 MET H H 5 8.250 8.250 8.441 -0.191 17821 2301 1 8 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.372 -0.092 17821 2302 1 8 . 1 1 6 6 PRO CA C 6 60.500 60.500 63.277 -2.777 17821 2303 1 8 . 1 1 6 6 PRO CB C 6 29.200 29.200 32.117 -2.917 17821 2304 1 8 . 1 1 7 7 GLY N N 7 109.000 109.000 111.920 -2.920 17821 2305 1 8 . 1 1 7 7 GLY C C 7 171.200 171.200 175.556 -4.356 17821 2306 1 8 . 1 1 7 7 GLY CA C 7 42.400 42.400 45.460 -3.060 17821 2307 1 8 . 1 1 7 7 GLY H H 7 8.360 8.360 8.481 -0.121 17821 2308 1 8 . 1 1 8 8 LEU N N 8 121.700 121.700 119.725 1.975 17821 2309 1 8 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.396 -0.136 17821 2310 1 8 . 1 1 8 8 LEU C C 8 174.600 174.600 175.933 -1.333 17821 2311 1 8 . 1 1 8 8 LEU CA C 8 52.300 52.300 54.800 -2.500 17821 2312 1 8 . 1 1 8 8 LEU CB C 8 39.400 39.400 39.767 -0.367 17821 2313 1 8 . 1 1 8 8 LEU H H 8 7.920 7.920 8.186 -0.266 17821 2314 1 8 . 1 1 9 9 VAL N N 9 120.900 120.900 117.703 3.197 17821 2315 1 8 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.345 -0.365 17821 2316 1 8 . 1 1 9 9 VAL C C 9 172.900 172.900 175.215 -2.315 17821 2317 1 8 . 1 1 9 9 VAL CA C 9 59.400 59.400 60.983 -1.583 17821 2318 1 8 . 1 1 9 9 VAL CB C 9 30.000 30.000 32.958 -2.958 17821 2319 1 8 . 1 1 9 9 VAL H H 9 8.050 8.050 7.837 0.213 17821 2320 1 8 . 1 1 10 10 ASP N N 10 124.300 124.300 127.266 -2.966 17821 2321 1 8 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.736 -0.266 17821 2322 1 8 . 1 1 10 10 ASP C C 10 173.100 173.100 175.569 -2.469 17821 2323 1 8 . 1 1 10 10 ASP CA C 10 51.500 51.500 54.392 -2.892 17821 2324 1 8 . 1 1 10 10 ASP CB C 10 38.300 38.300 40.227 -1.927 17821 2325 1 8 . 1 1 10 10 ASP H H 10 8.300 8.300 8.559 -0.259 17821 2326 1 8 . 1 1 11 11 SER N N 11 116.400 116.400 118.100 -1.700 17821 2327 1 8 . 1 1 11 11 SER HA H 11 4.290 4.290 4.764 -0.474 17821 2328 1 8 . 1 1 11 11 SER C C 11 171.200 171.200 173.786 -2.586 17821 2329 1 8 . 1 1 11 11 SER CA C 11 55.500 55.500 57.428 -1.928 17821 2330 1 8 . 1 1 11 11 SER CB C 11 60.900 60.900 64.856 -3.956 17821 2331 1 8 . 1 1 11 11 SER H H 11 8.130 8.130 8.001 0.129 17821 2332 1 8 . 1 1 12 12 ASN N N 12 121.600 121.600 121.339 0.261 17821 2333 1 8 . 1 1 12 12 ASN HA H 12 4.230 4.230 5.154 -0.924 17821 2334 1 8 . 1 1 12 12 ASN C C 12 170.000 170.000 173.841 -3.841 17821 2335 1 8 . 1 1 12 12 ASN CA C 12 56.500 56.500 51.406 5.094 17821 2336 1 8 . 1 1 12 12 ASN CB C 12 36.000 36.000 38.135 -2.135 17821 2337 1 8 . 1 1 12 12 ASN H H 12 8.360 8.360 8.438 -0.079 17821 2338 1 8 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.558 -0.268 17821 2339 1 8 . 1 1 13 13 PRO CA C 13 60.300 60.300 62.755 -2.455 17821 2340 1 8 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.562 -3.362 17821 2341 1 8 . 1 1 14 14 ALA N N 14 125.700 125.700 124.367 1.333 17821 2342 1 8 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.606 -0.196 17821 2343 1 8 . 1 1 14 14 ALA C C 14 172.200 172.200 175.522 -3.322 17821 2344 1 8 . 1 1 14 14 ALA CA C 14 47.500 47.500 50.235 -2.735 17821 2345 1 8 . 1 1 14 14 ALA CB C 14 15.100 15.100 18.980 -3.880 17821 2346 1 8 . 1 1 14 14 ALA H H 14 8.260 8.260 8.181 0.079 17821 2347 1 8 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.436 -0.156 17821 2348 1 8 . 1 1 16 16 PRO CA C 16 60.500 60.500 62.735 -2.235 17821 2349 1 8 . 1 1 16 16 PRO CB C 16 29.200 29.200 30.820 -1.619 17821 2350 1 8 . 1 1 17 17 GLU N N 17 120.600 120.600 119.707 0.893 17821 2351 1 8 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.290 -0.170 17821 2352 1 8 . 1 1 17 17 GLU C C 17 173.900 173.900 176.214 -2.314 17821 2353 1 8 . 1 1 17 17 GLU CA C 17 54.100 54.100 55.352 -1.252 17821 2354 1 8 . 1 1 17 17 GLU CB C 17 27.100 27.100 30.272 -3.172 17821 2355 1 8 . 1 1 17 17 GLU H H 17 8.550 8.550 7.830 0.720 17821 2356 1 8 . 1 1 18 18 SER N N 18 116.400 116.400 115.796 0.604 17821 2357 1 8 . 1 1 18 18 SER HA H 18 4.310 4.310 4.375 -0.065 17821 2358 1 8 . 1 1 18 18 SER C C 18 171.900 171.900 175.102 -3.202 17821 2359 1 8 . 1 1 18 18 SER CA C 18 55.600 55.600 58.621 -3.021 17821 2360 1 8 . 1 1 18 18 SER CB C 18 60.800 60.800 63.241 -2.441 17821 2361 1 8 . 1 1 18 18 SER H H 18 8.240 8.240 8.361 -0.121 17821 2362 1 8 . 1 1 19 19 GLN N N 19 122.300 122.300 123.876 -1.576 17821 2363 1 8 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.417 -0.217 17821 2364 1 8 . 1 1 19 19 GLN C C 19 173.100 173.100 175.293 -2.193 17821 2365 1 8 . 1 1 19 19 GLN CA C 19 53.000 53.000 56.706 -3.706 17821 2366 1 8 . 1 1 19 19 GLN CB C 19 26.500 26.500 29.194 -2.694 17821 2367 1 8 . 1 1 19 19 GLN H H 19 8.310 8.310 8.607 -0.297 17821 2368 1 8 . 1 1 20 20 GLU N N 20 121.600 121.600 118.653 2.947 17821 2369 1 8 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.594 -0.304 17821 2370 1 8 . 1 1 20 20 GLU C C 20 173.500 173.500 174.632 -1.132 17821 2371 1 8 . 1 1 20 20 GLU CA C 20 53.900 53.900 55.348 -1.448 17821 2372 1 8 . 1 1 20 20 GLU CB C 20 27.400 27.400 32.806 -5.406 17821 2373 1 8 . 1 1 20 20 GLU H H 20 8.240 8.240 7.809 0.431 17821 2374 1 8 . 1 1 21 21 LYS N N 21 122.900 122.900 122.407 0.493 17821 2375 1 8 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.147 0.033 17821 2376 1 8 . 1 1 21 21 LYS C C 21 173.400 173.400 176.142 -2.742 17821 2377 1 8 . 1 1 21 21 LYS CA C 21 53.300 53.300 57.120 -3.820 17821 2378 1 8 . 1 1 21 21 LYS CB C 21 29.800 29.800 32.910 -3.111 17821 2379 1 8 . 1 1 21 21 LYS H H 21 8.260 8.260 8.169 0.091 17821 2380 1 8 . 1 1 22 22 LYS N N 22 124.000 124.000 126.761 -2.761 17821 2381 1 8 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.542 -0.092 17821 2382 1 8 . 1 1 22 22 LYS C C 22 171.500 171.500 174.572 -3.072 17821 2383 1 8 . 1 1 22 22 LYS CA C 22 51.200 51.200 54.473 -3.273 17821 2384 1 8 . 1 1 22 22 LYS CB C 22 29.500 29.500 32.286 -2.786 17821 2385 1 8 . 1 1 22 22 LYS H H 22 8.220 8.220 8.322 -0.102 17821 2386 1 8 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.447 -0.157 17821 2387 1 8 . 1 1 23 23 PRO CA C 23 60.100 60.100 62.901 -2.801 17821 2388 1 8 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.156 -2.956 17821 2389 1 8 . 1 1 24 24 LEU N N 24 122.700 122.700 119.155 3.545 17821 2390 1 8 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.629 -0.469 17821 2391 1 8 . 1 1 24 24 LEU C C 24 174.400 174.400 176.121 -1.721 17821 2392 1 8 . 1 1 24 24 LEU CA C 24 52.400 52.400 55.166 -2.766 17821 2393 1 8 . 1 1 24 24 LEU CB C 24 39.600 39.600 42.116 -2.516 17821 2394 1 8 . 1 1 24 24 LEU H H 24 8.270 8.270 8.212 0.058 17821 2395 1 8 . 1 1 25 25 LYS N N 25 123.400 123.400 124.331 -0.931 17821 2396 1 8 . 1 1 25 25 LYS C C 25 171.600 171.600 174.412 -2.812 17821 2397 1 8 . 1 1 25 25 LYS CA C 25 50.900 50.900 53.239 -2.339 17821 2398 1 8 . 1 1 25 25 LYS CB C 25 29.800 29.800 34.397 -4.597 17821 2399 1 8 . 1 1 25 25 LYS H H 25 8.180 8.180 8.443 -0.263 17821 2400 1 8 . 1 1 28 28 CYS CA C 28 46.000 46.000 59.915 -13.915 17821 2401 1 8 . 1 1 28 28 CYS CB C 28 31.000 31.000 25.316 5.684 17821 2402 1 8 . 1 1 29 29 ALA N N 29 123.800 123.800 127.843 -4.043 17821 2403 1 8 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.633 -0.483 17821 2404 1 8 . 1 1 29 29 ALA C C 29 173.200 173.200 176.412 -3.212 17821 2405 1 8 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.190 -1.490 17821 2406 1 8 . 1 1 29 29 ALA CB C 29 17.600 17.600 21.274 -3.674 17821 2407 1 8 . 1 1 29 29 ALA H H 29 8.050 8.050 7.817 0.233 17821 2408 1 8 . 1 1 30 30 SER N N 30 112.800 112.800 115.554 -2.754 17821 2409 1 8 . 1 1 30 30 SER HA H 30 4.580 4.580 4.962 -0.382 17821 2410 1 8 . 1 1 30 30 SER C C 30 173.300 173.300 173.891 -0.591 17821 2411 1 8 . 1 1 30 30 SER CA C 30 52.600 52.600 56.308 -3.708 17821 2412 1 8 . 1 1 30 30 SER CB C 30 59.400 59.400 63.456 -4.056 17821 2413 1 8 . 1 1 30 30 SER H H 30 8.270 8.270 8.726 -0.456 17821 2414 1 8 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.305 -0.145 17821 2415 1 8 . 1 1 31 31 PRO CA C 31 61.800 61.800 64.632 -2.832 17821 2416 1 8 . 1 1 31 31 PRO CB C 31 29.300 29.300 31.954 -2.654 17821 2417 1 8 . 1 1 32 32 GLU N N 32 119.100 119.100 118.357 0.743 17821 2418 1 8 . 1 1 32 32 GLU HA H 32 4.060 4.060 3.998 0.062 17821 2419 1 8 . 1 1 32 32 GLU C C 32 177.300 177.300 178.456 -1.156 17821 2420 1 8 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.254 -2.354 17821 2421 1 8 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.295 -2.295 17821 2422 1 8 . 1 1 32 32 GLU H H 32 8.720 8.720 8.783 -0.063 17821 2423 1 8 . 1 1 33 33 THR N N 33 110.800 110.800 112.557 -1.757 17821 2424 1 8 . 1 1 33 33 THR HA H 33 4.040 4.040 4.065 -0.025 17821 2425 1 8 . 1 1 33 33 THR C C 33 176.000 176.000 176.503 -0.503 17821 2426 1 8 . 1 1 33 33 THR CA C 33 61.700 61.700 65.875 -4.175 17821 2427 1 8 . 1 1 33 33 THR CB C 33 64.100 64.100 68.782 -4.682 17821 2428 1 8 . 1 1 33 33 THR H H 33 7.620 7.620 8.116 -0.496 17821 2429 1 8 . 1 1 34 34 LYS N N 34 127.100 127.100 122.505 4.595 17821 2430 1 8 . 1 1 34 34 LYS HA H 34 2.920 2.920 3.787 -0.867 17821 2431 1 8 . 1 1 34 34 LYS C C 34 174.300 174.300 178.466 -4.166 17821 2432 1 8 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.062 -1.762 17821 2433 1 8 . 1 1 34 34 LYS CB C 34 30.000 30.000 31.753 -1.753 17821 2434 1 8 . 1 1 34 34 LYS H H 34 7.740 7.740 7.868 -0.128 17821 2435 1 8 . 1 1 35 35 LYS N N 35 118.500 118.500 118.688 -0.188 17821 2436 1 8 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.107 -0.217 17821 2437 1 8 . 1 1 35 35 LYS C C 35 176.500 176.500 178.901 -2.401 17821 2438 1 8 . 1 1 35 35 LYS CA C 35 56.700 56.700 58.782 -2.083 17821 2439 1 8 . 1 1 35 35 LYS CB C 35 29.500 29.500 31.767 -2.267 17821 2440 1 8 . 1 1 35 35 LYS H H 35 7.880 7.880 8.448 -0.568 17821 2441 1 8 . 1 1 36 36 ALA N N 36 120.100 120.100 122.412 -2.312 17821 2442 1 8 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.181 -0.141 17821 2443 1 8 . 1 1 36 36 ALA C C 36 177.600 177.600 179.481 -1.881 17821 2444 1 8 . 1 1 36 36 ALA CA C 36 52.000 52.000 54.912 -2.912 17821 2445 1 8 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.372 -2.972 17821 2446 1 8 . 1 1 36 36 ALA H H 36 7.490 7.490 8.056 -0.566 17821 2447 1 8 . 1 1 37 37 ARG N N 37 118.500 118.500 119.500 -1.000 17821 2448 1 8 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.912 -0.292 17821 2449 1 8 . 1 1 37 37 ARG C C 37 174.100 174.100 177.890 -3.790 17821 2450 1 8 . 1 1 37 37 ARG CA C 37 56.600 56.600 59.958 -3.358 17821 2451 1 8 . 1 1 37 37 ARG CB C 37 27.100 27.100 30.120 -3.020 17821 2452 1 8 . 1 1 37 37 ARG H H 37 7.630 7.630 8.312 -0.682 17821 2453 1 8 . 1 1 38 38 ASP N N 38 120.200 120.200 119.478 0.722 17821 2454 1 8 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.309 -0.039 17821 2455 1 8 . 1 1 38 38 ASP C C 38 175.500 175.500 178.567 -3.067 17821 2456 1 8 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.283 -2.583 17821 2457 1 8 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.154 -3.954 17821 2458 1 8 . 1 1 38 38 ASP H H 38 8.680 8.680 8.327 0.353 17821 2459 1 8 . 1 1 39 39 ALA N N 39 121.100 121.100 122.282 -1.182 17821 2460 1 8 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.061 -0.051 17821 2461 1 8 . 1 1 39 39 ALA C C 39 176.800 176.800 179.587 -2.787 17821 2462 1 8 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.337 -3.237 17821 2463 1 8 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.267 -3.067 17821 2464 1 8 . 1 1 39 39 ALA H H 39 8.040 8.040 8.045 -0.005 17821 2465 1 8 . 1 1 40 40 CYS N N 40 117.600 117.600 117.773 -0.173 17821 2466 1 8 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.173 0.007 17821 2467 1 8 . 1 1 40 40 CYS C C 40 173.800 173.800 176.983 -3.183 17821 2468 1 8 . 1 1 40 40 CYS CA C 40 57.900 57.900 63.003 -5.103 17821 2469 1 8 . 1 1 40 40 CYS CB C 40 36.400 36.400 26.052 10.348 17821 2470 1 8 . 1 1 40 40 CYS H H 40 7.340 7.340 8.203 -0.863 17821 2471 1 8 . 1 1 41 41 ILE N N 41 121.500 121.500 120.719 0.781 17821 2472 1 8 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.851 -0.801 17821 2473 1 8 . 1 1 41 41 ILE C C 41 176.100 176.100 178.424 -2.324 17821 2474 1 8 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.620 -1.220 17821 2475 1 8 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.852 -2.552 17821 2476 1 8 . 1 1 41 41 ILE H H 41 8.230 8.230 8.430 -0.200 17821 2477 1 8 . 1 1 42 42 ILE N N 42 119.200 119.200 119.894 -0.694 17821 2478 1 8 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.719 -0.029 17821 2479 1 8 . 1 1 42 42 ILE C C 42 174.200 174.200 177.594 -3.394 17821 2480 1 8 . 1 1 42 42 ILE CA C 42 61.300 61.300 64.533 -3.233 17821 2481 1 8 . 1 1 42 42 ILE CB C 42 35.800 35.800 38.043 -2.243 17821 2482 1 8 . 1 1 42 42 ILE H H 42 7.770 7.770 8.015 -0.245 17821 2483 1 8 . 1 1 43 43 GLU N N 43 118.700 118.700 118.418 0.282 17821 2484 1 8 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.289 -0.239 17821 2485 1 8 . 1 1 43 43 GLU C C 43 175.300 175.300 177.603 -2.303 17821 2486 1 8 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.348 -2.048 17821 2487 1 8 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.705 -2.505 17821 2488 1 8 . 1 1 43 43 GLU H H 43 7.600 7.600 8.373 -0.773 17821 2489 1 8 . 1 1 44 44 LYS N N 44 114.600 114.600 116.772 -2.172 17821 2490 1 8 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.632 -0.182 17821 2491 1 8 . 1 1 44 44 LYS C C 44 174.500 174.500 176.705 -2.205 17821 2492 1 8 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.167 -2.367 17821 2493 1 8 . 1 1 44 44 LYS CB C 44 32.700 32.700 35.328 -2.628 17821 2494 1 8 . 1 1 44 44 LYS H H 44 8.860 8.860 8.226 0.634 17821 2495 1 8 . 1 1 45 45 GLY N N 45 108.700 108.700 109.117 -0.417 17821 2496 1 8 . 1 1 45 45 GLY C C 45 171.000 171.000 175.180 -4.180 17821 2497 1 8 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.449 -3.149 17821 2498 1 8 . 1 1 45 45 GLY H H 45 7.690 7.690 7.768 -0.078 17821 2499 1 8 . 1 1 46 46 GLU N N 46 120.800 120.800 122.323 -1.523 17821 2500 1 8 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.802 -0.362 17821 2501 1 8 . 1 1 46 46 GLU C C 46 175.800 175.800 178.307 -2.507 17821 2502 1 8 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.607 -1.307 17821 2503 1 8 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.506 -2.406 17821 2504 1 8 . 1 1 46 46 GLU H H 46 8.900 8.900 8.892 0.008 17821 2505 1 8 . 1 1 47 47 GLU N N 47 118.700 118.700 118.246 0.454 17821 2506 1 8 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.063 -0.123 17821 2507 1 8 . 1 1 47 47 GLU C C 47 174.300 174.300 177.589 -3.289 17821 2508 1 8 . 1 1 47 47 GLU CA C 47 55.900 55.900 58.248 -2.348 17821 2509 1 8 . 1 1 47 47 GLU CB C 47 25.500 25.500 28.763 -3.263 17821 2510 1 8 . 1 1 47 47 GLU H H 47 9.530 9.530 8.690 0.840 17821 2511 1 8 . 1 1 48 48 HIS N N 48 117.500 117.500 115.479 2.021 17821 2512 1 8 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.879 -0.009 17821 2513 1 8 . 1 1 48 48 HIS C C 48 173.300 173.300 174.050 -0.750 17821 2514 1 8 . 1 1 48 48 HIS CA C 48 53.100 53.100 54.399 -1.299 17821 2515 1 8 . 1 1 48 48 HIS CB C 48 28.900 28.900 30.478 -1.578 17821 2516 1 8 . 1 1 48 48 HIS H H 48 7.500 7.500 7.868 -0.368 17821 2517 1 8 . 1 1 49 49 CYS N N 49 116.100 116.100 117.895 -1.795 17821 2518 1 8 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.914 0.136 17821 2519 1 8 . 1 1 49 49 CYS C C 49 173.700 173.700 175.889 -2.189 17821 2520 1 8 . 1 1 49 49 CYS CA C 49 51.700 51.700 58.190 -6.490 17821 2521 1 8 . 1 1 49 49 CYS CB C 49 39.500 39.500 27.383 12.117 17821 2522 1 8 . 1 1 49 49 CYS H H 49 7.460 7.460 7.679 -0.219 17821 2523 1 8 . 1 1 50 50 GLY N N 50 112.900 112.900 110.179 2.721 17821 2524 1 8 . 1 1 50 50 GLY C C 50 172.500 172.500 175.491 -2.991 17821 2525 1 8 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.443 -2.143 17821 2526 1 8 . 1 1 50 50 GLY H H 50 9.150 9.150 8.695 0.455 17821 2527 1 8 . 1 1 51 51 HIS C C 51 175.400 175.400 177.205 -1.805 17821 2528 1 8 . 1 1 51 51 HIS CA C 51 56.400 56.400 57.191 -0.790 17821 2529 1 8 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.777 -3.777 17821 2530 1 8 . 1 1 52 52 LEU N N 52 122.000 122.000 121.967 0.033 17821 2531 1 8 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.137 -0.027 17821 2532 1 8 . 1 1 52 52 LEU C C 52 177.700 177.700 178.406 -0.706 17821 2533 1 8 . 1 1 52 52 LEU CA C 52 53.800 53.800 57.318 -3.518 17821 2534 1 8 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.244 -1.744 17821 2535 1 8 . 1 1 52 52 LEU H H 52 6.810 6.810 7.689 -0.879 17821 2536 1 8 . 1 1 53 53 ILE N N 53 124.200 124.200 120.389 3.811 17821 2537 1 8 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.683 -0.253 17821 2538 1 8 . 1 1 53 53 ILE C C 53 176.100 176.100 178.355 -2.255 17821 2539 1 8 . 1 1 53 53 ILE CA C 53 63.200 63.200 66.038 -2.838 17821 2540 1 8 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.947 -2.047 17821 2541 1 8 . 1 1 53 53 ILE H H 53 8.170 8.170 8.578 -0.408 17821 2542 1 8 . 1 1 54 54 GLU N N 54 120.600 120.600 120.227 0.373 17821 2543 1 8 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.960 0.070 17821 2544 1 8 . 1 1 54 54 GLU C C 54 175.400 175.400 178.669 -3.269 17821 2545 1 8 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.976 -3.876 17821 2546 1 8 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.696 -3.696 17821 2547 1 8 . 1 1 54 54 GLU H H 54 8.380 8.380 8.218 0.162 17821 2548 1 8 . 1 1 55 55 ALA N N 55 120.800 120.800 121.843 -1.043 17821 2549 1 8 . 1 1 55 55 ALA HA H 55 4.120 4.120 4.014 0.106 17821 2550 1 8 . 1 1 55 55 ALA C C 55 177.900 177.900 179.203 -1.303 17821 2551 1 8 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.287 -3.087 17821 2552 1 8 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.120 -3.021 17821 2553 1 8 . 1 1 55 55 ALA H H 55 7.880 7.880 7.969 -0.089 17821 2554 1 8 . 1 1 56 56 HIS N N 56 117.400 117.400 119.424 -2.024 17821 2555 1 8 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.230 0.070 17821 2556 1 8 . 1 1 56 56 HIS C C 56 173.500 173.500 177.292 -3.792 17821 2557 1 8 . 1 1 56 56 HIS CA C 56 57.000 57.000 59.998 -2.998 17821 2558 1 8 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.351 -2.051 17821 2559 1 8 . 1 1 56 56 HIS H H 56 7.640 7.640 8.610 -0.970 17821 2560 1 8 . 1 1 57 57 LYS N N 57 119.200 119.200 118.746 0.454 17821 2561 1 8 . 1 1 57 57 LYS HA H 57 3.600 3.600 3.855 -0.255 17821 2562 1 8 . 1 1 57 57 LYS C C 57 176.200 176.200 178.996 -2.796 17821 2563 1 8 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.489 -1.889 17821 2564 1 8 . 1 1 57 57 LYS CB C 57 29.500 29.500 32.117 -2.617 17821 2565 1 8 . 1 1 57 57 LYS H H 57 7.620 7.620 8.293 -0.673 17821 2566 1 8 . 1 1 58 58 GLU N N 58 118.400 118.400 120.299 -1.899 17821 2567 1 8 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.026 -0.056 17821 2568 1 8 . 1 1 58 58 GLU C C 58 176.200 176.200 178.937 -2.737 17821 2569 1 8 . 1 1 58 58 GLU CA C 58 56.200 56.200 58.971 -2.771 17821 2570 1 8 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.267 -2.967 17821 2571 1 8 . 1 1 58 58 GLU H H 58 8.490 8.490 8.313 0.177 17821 2572 1 8 . 1 1 59 59 SER N N 59 116.100 116.100 116.122 -0.022 17821 2573 1 8 . 1 1 59 59 SER HA H 59 4.150 4.150 4.175 -0.025 17821 2574 1 8 . 1 1 59 59 SER CA C 59 58.400 58.400 61.625 -3.225 17821 2575 1 8 . 1 1 59 59 SER CB C 59 60.300 60.300 63.233 -2.933 17821 2576 1 8 . 1 1 59 59 SER H H 59 7.790 7.790 8.089 -0.299 17821 2577 1 8 . 1 1 60 60 MET N N 60 117.500 117.500 119.160 -1.660 17821 2578 1 8 . 1 1 60 60 MET HA H 60 4.170 4.170 4.213 -0.043 17821 2579 1 8 . 1 1 60 60 MET C C 60 176.400 176.400 177.547 -1.147 17821 2580 1 8 . 1 1 60 60 MET CA C 60 54.400 54.400 56.378 -1.978 17821 2581 1 8 . 1 1 60 60 MET CB C 60 29.100 29.100 32.007 -2.906 17821 2582 1 8 . 1 1 60 60 MET H H 60 7.880 7.880 8.204 -0.324 17821 2583 1 8 . 1 1 61 61 ARG N N 61 121.300 121.300 121.115 0.185 17821 2584 1 8 . 1 1 61 61 ARG HA H 61 4.170 4.170 4.058 0.112 17821 2585 1 8 . 1 1 61 61 ARG C C 61 177.500 177.500 178.049 -0.549 17821 2586 1 8 . 1 1 61 61 ARG CA C 61 56.100 56.100 58.793 -2.693 17821 2587 1 8 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.111 -2.611 17821 2588 1 8 . 1 1 61 61 ARG H H 61 8.290 8.290 8.261 0.029 17821 2589 1 8 . 1 1 62 62 ALA N N 62 123.200 123.200 121.402 1.798 17821 2590 1 8 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.138 -0.068 17821 2591 1 8 . 1 1 62 62 ALA C C 62 176.400 176.400 178.483 -2.083 17821 2592 1 8 . 1 1 62 62 ALA CA C 62 51.500 51.500 53.757 -2.257 17821 2593 1 8 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.260 -3.160 17821 2594 1 8 . 1 1 62 62 ALA H H 62 7.950 7.950 7.669 0.281 17821 2595 1 8 . 1 1 63 63 LEU N N 63 117.500 117.500 116.673 0.827 17821 2596 1 8 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.016 0.184 17821 2597 1 8 . 1 1 63 63 LEU C C 63 174.400 174.400 177.460 -3.060 17821 2598 1 8 . 1 1 63 63 LEU CA C 63 52.900 52.900 54.600 -1.700 17821 2599 1 8 . 1 1 63 63 LEU CB C 63 39.800 39.800 40.859 -1.059 17821 2600 1 8 . 1 1 63 63 LEU H H 63 7.450 7.450 7.304 0.146 17821 2601 1 8 . 1 1 64 64 GLY N N 64 106.300 106.300 107.865 -1.565 17821 2602 1 8 . 1 1 64 64 GLY C C 64 171.400 171.400 174.876 -3.476 17821 2603 1 8 . 1 1 64 64 GLY CA C 64 42.100 42.100 45.820 -3.720 17821 2604 1 8 . 1 1 64 64 GLY H H 64 7.780 7.780 7.611 0.169 17821 2605 1 8 . 1 1 65 65 PHE N N 65 119.800 119.800 115.357 4.443 17821 2606 1 8 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.922 -0.452 17821 2607 1 8 . 1 1 65 65 PHE C C 65 172.300 172.300 174.716 -2.416 17821 2608 1 8 . 1 1 65 65 PHE CA C 65 54.900 54.900 56.096 -1.196 17821 2609 1 8 . 1 1 65 65 PHE CB C 65 36.900 36.900 38.736 -1.837 17821 2610 1 8 . 1 1 65 65 PHE H H 65 7.840 7.840 7.717 0.123 17821 2611 1 8 . 1 1 66 66 LYS N N 66 124.000 124.000 120.929 3.071 17821 2612 1 8 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.420 -0.160 17821 2613 1 8 . 1 1 66 66 LYS C C 66 172.200 172.200 175.603 -3.403 17821 2614 1 8 . 1 1 66 66 LYS CA C 66 53.200 53.200 56.993 -3.793 17821 2615 1 8 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.471 -4.171 17821 2616 1 8 . 1 1 66 66 LYS H H 66 8.370 8.370 8.312 0.058 17821 2617 1 9 . 1 1 4 4 THR N N 4 117.400 117.400 114.137 3.263 17821 2618 1 9 . 1 1 4 4 THR HA H 4 4.130 4.130 4.224 -0.094 17821 2619 1 9 . 1 1 4 4 THR C C 4 170.800 170.800 173.999 -3.199 17821 2620 1 9 . 1 1 4 4 THR CA C 4 58.800 58.800 62.512 -3.712 17821 2621 1 9 . 1 1 4 4 THR CB C 4 67.000 67.000 69.141 -2.142 17821 2622 1 9 . 1 1 4 4 THR H H 4 7.980 7.980 8.335 -0.355 17821 2623 1 9 . 1 1 5 5 MET N N 5 124.400 124.400 125.301 -0.901 17821 2624 1 9 . 1 1 5 5 MET C C 5 171.200 171.200 174.927 -3.727 17821 2625 1 9 . 1 1 5 5 MET CA C 5 50.400 50.400 53.325 -2.925 17821 2626 1 9 . 1 1 5 5 MET CB C 5 29.600 29.600 32.698 -3.098 17821 2627 1 9 . 1 1 5 5 MET H H 5 8.250 8.250 8.177 0.073 17821 2628 1 9 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.410 -0.130 17821 2629 1 9 . 1 1 6 6 PRO CA C 6 60.500 60.500 62.912 -2.412 17821 2630 1 9 . 1 1 6 6 PRO CB C 6 29.200 29.200 32.111 -2.910 17821 2631 1 9 . 1 1 7 7 GLY N N 7 109.000 109.000 109.286 -0.286 17821 2632 1 9 . 1 1 7 7 GLY C C 7 171.200 171.200 175.018 -3.818 17821 2633 1 9 . 1 1 7 7 GLY CA C 7 42.400 42.400 44.840 -2.440 17821 2634 1 9 . 1 1 7 7 GLY H H 7 8.360 8.360 8.458 -0.098 17821 2635 1 9 . 1 1 8 8 LEU N N 8 121.700 121.700 121.974 -0.274 17821 2636 1 9 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.498 -0.238 17821 2637 1 9 . 1 1 8 8 LEU C C 8 174.600 174.600 176.782 -2.182 17821 2638 1 9 . 1 1 8 8 LEU CA C 8 52.300 52.300 55.004 -2.704 17821 2639 1 9 . 1 1 8 8 LEU CB C 8 39.400 39.400 39.514 -0.113 17821 2640 1 9 . 1 1 8 8 LEU H H 8 7.920 7.920 8.266 -0.346 17821 2641 1 9 . 1 1 9 9 VAL N N 9 120.900 120.900 119.519 1.381 17821 2642 1 9 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.468 -0.488 17821 2643 1 9 . 1 1 9 9 VAL C C 9 172.900 172.900 174.698 -1.798 17821 2644 1 9 . 1 1 9 9 VAL CA C 9 59.400 59.400 61.093 -1.693 17821 2645 1 9 . 1 1 9 9 VAL CB C 9 30.000 30.000 34.773 -4.773 17821 2646 1 9 . 1 1 9 9 VAL H H 9 8.050 8.050 7.781 0.269 17821 2647 1 9 . 1 1 10 10 ASP N N 10 124.300 124.300 123.651 0.649 17821 2648 1 9 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.797 -0.327 17821 2649 1 9 . 1 1 10 10 ASP C C 10 173.100 173.100 176.639 -3.539 17821 2650 1 9 . 1 1 10 10 ASP CA C 10 51.500 51.500 53.334 -1.834 17821 2651 1 9 . 1 1 10 10 ASP CB C 10 38.300 38.300 42.514 -4.214 17821 2652 1 9 . 1 1 10 10 ASP H H 10 8.300 8.300 8.376 -0.076 17821 2653 1 9 . 1 1 11 11 SER N N 11 116.400 116.400 121.968 -5.568 17821 2654 1 9 . 1 1 11 11 SER HA H 11 4.290 4.290 4.426 -0.136 17821 2655 1 9 . 1 1 11 11 SER C C 11 171.200 171.200 173.513 -2.313 17821 2656 1 9 . 1 1 11 11 SER CA C 11 55.500 55.500 57.939 -2.439 17821 2657 1 9 . 1 1 11 11 SER CB C 11 60.900 60.900 62.347 -1.448 17821 2658 1 9 . 1 1 11 11 SER H H 11 8.130 8.130 8.591 -0.461 17821 2659 1 9 . 1 1 12 12 ASN N N 12 121.600 121.600 122.202 -0.602 17821 2660 1 9 . 1 1 12 12 ASN HA H 12 4.230 4.230 4.498 -0.268 17821 2661 1 9 . 1 1 12 12 ASN C C 12 170.000 170.000 174.292 -4.292 17821 2662 1 9 . 1 1 12 12 ASN CA C 12 56.500 56.500 52.777 3.723 17821 2663 1 9 . 1 1 12 12 ASN CB C 12 36.000 36.000 38.821 -2.821 17821 2664 1 9 . 1 1 12 12 ASN H H 12 8.360 8.360 7.696 0.664 17821 2665 1 9 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.412 -0.122 17821 2666 1 9 . 1 1 13 13 PRO CA C 13 60.300 60.300 63.235 -2.935 17821 2667 1 9 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.324 -3.124 17821 2668 1 9 . 1 1 14 14 ALA N N 14 125.700 125.700 126.030 -0.330 17821 2669 1 9 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.436 -0.026 17821 2670 1 9 . 1 1 14 14 ALA C C 14 172.200 172.200 176.277 -4.077 17821 2671 1 9 . 1 1 14 14 ALA CA C 14 47.500 47.500 50.733 -3.233 17821 2672 1 9 . 1 1 14 14 ALA CB C 14 15.100 15.100 18.406 -3.306 17821 2673 1 9 . 1 1 14 14 ALA H H 14 8.260 8.260 8.180 0.080 17821 2674 1 9 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.520 -0.240 17821 2675 1 9 . 1 1 16 16 PRO CA C 16 60.500 60.500 63.195 -2.695 17821 2676 1 9 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.311 -3.111 17821 2677 1 9 . 1 1 17 17 GLU N N 17 120.600 120.600 119.771 0.829 17821 2678 1 9 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.359 -0.239 17821 2679 1 9 . 1 1 17 17 GLU C C 17 173.900 173.900 176.259 -2.359 17821 2680 1 9 . 1 1 17 17 GLU CA C 17 54.100 54.100 56.486 -2.386 17821 2681 1 9 . 1 1 17 17 GLU CB C 17 27.100 27.100 29.915 -2.815 17821 2682 1 9 . 1 1 17 17 GLU H H 17 8.550 8.550 8.776 -0.226 17821 2683 1 9 . 1 1 18 18 SER N N 18 116.400 116.400 114.674 1.726 17821 2684 1 9 . 1 1 18 18 SER HA H 18 4.310 4.310 4.497 -0.187 17821 2685 1 9 . 1 1 18 18 SER C C 18 171.900 171.900 174.829 -2.929 17821 2686 1 9 . 1 1 18 18 SER CA C 18 55.600 55.600 57.917 -2.317 17821 2687 1 9 . 1 1 18 18 SER CB C 18 60.800 60.800 63.479 -2.679 17821 2688 1 9 . 1 1 18 18 SER H H 18 8.240 8.240 7.837 0.403 17821 2689 1 9 . 1 1 19 19 GLN N N 19 122.300 122.300 122.176 0.124 17821 2690 1 9 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.339 -0.139 17821 2691 1 9 . 1 1 19 19 GLN C C 19 173.100 173.100 175.150 -2.050 17821 2692 1 9 . 1 1 19 19 GLN CA C 19 53.000 53.000 56.208 -3.208 17821 2693 1 9 . 1 1 19 19 GLN CB C 19 26.500 26.500 29.487 -2.987 17821 2694 1 9 . 1 1 19 19 GLN H H 19 8.310 8.310 7.884 0.426 17821 2695 1 9 . 1 1 20 20 GLU N N 20 121.600 121.600 123.089 -1.489 17821 2696 1 9 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.509 -0.219 17821 2697 1 9 . 1 1 20 20 GLU C C 20 173.500 173.500 175.362 -1.862 17821 2698 1 9 . 1 1 20 20 GLU CA C 20 53.900 53.900 55.355 -1.455 17821 2699 1 9 . 1 1 20 20 GLU CB C 20 27.400 27.400 31.801 -4.401 17821 2700 1 9 . 1 1 20 20 GLU H H 20 8.240 8.240 8.510 -0.270 17821 2701 1 9 . 1 1 21 21 LYS N N 21 122.900 122.900 122.419 0.481 17821 2702 1 9 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.285 -0.105 17821 2703 1 9 . 1 1 21 21 LYS C C 21 173.400 173.400 176.123 -2.723 17821 2704 1 9 . 1 1 21 21 LYS CA C 21 53.300 53.300 56.726 -3.426 17821 2705 1 9 . 1 1 21 21 LYS CB C 21 29.800 29.800 32.959 -3.159 17821 2706 1 9 . 1 1 21 21 LYS H H 21 8.260 8.260 8.050 0.210 17821 2707 1 9 . 1 1 22 22 LYS N N 22 124.000 124.000 125.092 -1.092 17821 2708 1 9 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.732 -0.282 17821 2709 1 9 . 1 1 22 22 LYS C C 22 171.500 171.500 174.499 -2.999 17821 2710 1 9 . 1 1 22 22 LYS CA C 22 51.200 51.200 54.279 -3.079 17821 2711 1 9 . 1 1 22 22 LYS CB C 22 29.500 29.500 32.678 -3.179 17821 2712 1 9 . 1 1 22 22 LYS H H 22 8.220 8.220 8.737 -0.517 17821 2713 1 9 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.509 -0.219 17821 2714 1 9 . 1 1 23 23 PRO CA C 23 60.100 60.100 62.808 -2.708 17821 2715 1 9 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.326 -3.126 17821 2716 1 9 . 1 1 24 24 LEU N N 24 122.700 122.700 122.137 0.563 17821 2717 1 9 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.535 -0.375 17821 2718 1 9 . 1 1 24 24 LEU C C 24 174.400 174.400 177.255 -2.855 17821 2719 1 9 . 1 1 24 24 LEU CA C 24 52.400 52.400 53.821 -1.421 17821 2720 1 9 . 1 1 24 24 LEU CB C 24 39.600 39.600 42.903 -3.303 17821 2721 1 9 . 1 1 24 24 LEU H H 24 8.270 8.270 8.226 0.044 17821 2722 1 9 . 1 1 25 25 LYS N N 25 123.400 123.400 123.699 -0.299 17821 2723 1 9 . 1 1 25 25 LYS C C 25 171.600 171.600 174.999 -3.399 17821 2724 1 9 . 1 1 25 25 LYS CA C 25 50.900 50.900 55.113 -4.213 17821 2725 1 9 . 1 1 25 25 LYS CB C 25 29.800 29.800 31.940 -2.140 17821 2726 1 9 . 1 1 25 25 LYS H H 25 8.180 8.180 8.324 -0.144 17821 2727 1 9 . 1 1 28 28 CYS CA C 28 46.000 46.000 59.432 -13.432 17821 2728 1 9 . 1 1 28 28 CYS CB C 28 31.000 31.000 25.890 5.110 17821 2729 1 9 . 1 1 29 29 ALA N N 29 123.800 123.800 122.916 0.884 17821 2730 1 9 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.560 -0.410 17821 2731 1 9 . 1 1 29 29 ALA C C 29 173.200 173.200 176.621 -3.421 17821 2732 1 9 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.453 -1.753 17821 2733 1 9 . 1 1 29 29 ALA CB C 29 17.600 17.600 20.229 -2.629 17821 2734 1 9 . 1 1 29 29 ALA H H 29 8.050 8.050 7.809 0.241 17821 2735 1 9 . 1 1 30 30 SER N N 30 112.800 112.800 115.162 -2.362 17821 2736 1 9 . 1 1 30 30 SER HA H 30 4.580 4.580 4.829 -0.249 17821 2737 1 9 . 1 1 30 30 SER C C 30 173.300 173.300 173.782 -0.482 17821 2738 1 9 . 1 1 30 30 SER CA C 30 52.600 52.600 56.317 -3.717 17821 2739 1 9 . 1 1 30 30 SER CB C 30 59.400 59.400 62.631 -3.231 17821 2740 1 9 . 1 1 30 30 SER H H 30 8.270 8.270 8.377 -0.107 17821 2741 1 9 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.349 -0.189 17821 2742 1 9 . 1 1 31 31 PRO CA C 31 61.800 61.800 64.736 -2.936 17821 2743 1 9 . 1 1 31 31 PRO CB C 31 29.300 29.300 32.000 -2.700 17821 2744 1 9 . 1 1 32 32 GLU N N 32 119.100 119.100 118.198 0.902 17821 2745 1 9 . 1 1 32 32 GLU HA H 32 4.060 4.060 4.078 -0.018 17821 2746 1 9 . 1 1 32 32 GLU C C 32 177.300 177.300 178.197 -0.897 17821 2747 1 9 . 1 1 32 32 GLU CA C 32 56.900 56.900 60.348 -3.448 17821 2748 1 9 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.701 -2.700 17821 2749 1 9 . 1 1 32 32 GLU H H 32 8.720 8.720 8.876 -0.156 17821 2750 1 9 . 1 1 33 33 THR N N 33 110.800 110.800 112.216 -1.416 17821 2751 1 9 . 1 1 33 33 THR HA H 33 4.040 4.040 4.057 -0.017 17821 2752 1 9 . 1 1 33 33 THR C C 33 176.000 176.000 176.404 -0.404 17821 2753 1 9 . 1 1 33 33 THR CA C 33 61.700 61.700 65.581 -3.881 17821 2754 1 9 . 1 1 33 33 THR CB C 33 64.100 64.100 67.896 -3.796 17821 2755 1 9 . 1 1 33 33 THR H H 33 7.620 7.620 7.983 -0.363 17821 2756 1 9 . 1 1 34 34 LYS N N 34 127.100 127.100 122.774 4.326 17821 2757 1 9 . 1 1 34 34 LYS HA H 34 2.920 2.920 3.913 -0.993 17821 2758 1 9 . 1 1 34 34 LYS C C 34 174.300 174.300 178.617 -4.317 17821 2759 1 9 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.233 -1.933 17821 2760 1 9 . 1 1 34 34 LYS CB C 34 30.000 30.000 31.764 -1.764 17821 2761 1 9 . 1 1 34 34 LYS H H 34 7.740 7.740 7.303 0.437 17821 2762 1 9 . 1 1 35 35 LYS N N 35 118.500 118.500 118.417 0.083 17821 2763 1 9 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.093 -0.203 17821 2764 1 9 . 1 1 35 35 LYS C C 35 176.500 176.500 178.968 -2.468 17821 2765 1 9 . 1 1 35 35 LYS CA C 35 56.700 56.700 59.049 -2.349 17821 2766 1 9 . 1 1 35 35 LYS CB C 35 29.500 29.500 31.914 -2.414 17821 2767 1 9 . 1 1 35 35 LYS H H 35 7.880 7.880 8.075 -0.195 17821 2768 1 9 . 1 1 36 36 ALA N N 36 120.100 120.100 121.876 -1.776 17821 2769 1 9 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.314 -0.274 17821 2770 1 9 . 1 1 36 36 ALA C C 36 177.600 177.600 179.827 -2.227 17821 2771 1 9 . 1 1 36 36 ALA CA C 36 52.000 52.000 54.748 -2.748 17821 2772 1 9 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.491 -3.091 17821 2773 1 9 . 1 1 36 36 ALA H H 36 7.490 7.490 8.343 -0.853 17821 2774 1 9 . 1 1 37 37 ARG N N 37 118.500 118.500 120.042 -1.542 17821 2775 1 9 . 1 1 37 37 ARG HA H 37 3.620 3.620 4.096 -0.476 17821 2776 1 9 . 1 1 37 37 ARG C C 37 174.100 174.100 177.997 -3.897 17821 2777 1 9 . 1 1 37 37 ARG CA C 37 56.600 56.600 59.142 -2.542 17821 2778 1 9 . 1 1 37 37 ARG CB C 37 27.100 27.100 29.855 -2.755 17821 2779 1 9 . 1 1 37 37 ARG H H 37 7.630 7.630 8.523 -0.893 17821 2780 1 9 . 1 1 38 38 ASP N N 38 120.200 120.200 119.556 0.644 17821 2781 1 9 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.329 -0.059 17821 2782 1 9 . 1 1 38 38 ASP C C 38 175.500 175.500 178.681 -3.181 17821 2783 1 9 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.418 -2.718 17821 2784 1 9 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.178 -3.978 17821 2785 1 9 . 1 1 38 38 ASP H H 38 8.680 8.680 8.314 0.366 17821 2786 1 9 . 1 1 39 39 ALA N N 39 121.100 121.100 121.954 -0.854 17821 2787 1 9 . 1 1 39 39 ALA HA H 39 4.010 4.010 3.977 0.033 17821 2788 1 9 . 1 1 39 39 ALA C C 39 176.800 176.800 178.992 -2.192 17821 2789 1 9 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.691 -3.591 17821 2790 1 9 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.379 -3.179 17821 2791 1 9 . 1 1 39 39 ALA H H 39 8.040 8.040 8.106 -0.066 17821 2792 1 9 . 1 1 40 40 CYS N N 40 117.600 117.600 117.843 -0.243 17821 2793 1 9 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.237 -0.057 17821 2794 1 9 . 1 1 40 40 CYS C C 40 173.800 173.800 176.980 -3.180 17821 2795 1 9 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.844 -4.944 17821 2796 1 9 . 1 1 40 40 CYS CB C 40 36.400 36.400 26.081 10.319 17821 2797 1 9 . 1 1 40 40 CYS H H 40 7.340 7.340 8.161 -0.821 17821 2798 1 9 . 1 1 41 41 ILE N N 41 121.500 121.500 121.142 0.358 17821 2799 1 9 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.798 -0.748 17821 2800 1 9 . 1 1 41 41 ILE C C 41 176.100 176.100 178.464 -2.364 17821 2801 1 9 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.493 -1.093 17821 2802 1 9 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.728 -2.429 17821 2803 1 9 . 1 1 41 41 ILE H H 41 8.230 8.230 8.535 -0.305 17821 2804 1 9 . 1 1 42 42 ILE N N 42 119.200 119.200 120.039 -0.839 17821 2805 1 9 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.757 -0.067 17821 2806 1 9 . 1 1 42 42 ILE C C 42 174.200 174.200 177.802 -3.602 17821 2807 1 9 . 1 1 42 42 ILE CA C 42 61.300 61.300 64.874 -3.574 17821 2808 1 9 . 1 1 42 42 ILE CB C 42 35.800 35.800 37.981 -2.181 17821 2809 1 9 . 1 1 42 42 ILE H H 42 7.770 7.770 8.421 -0.651 17821 2810 1 9 . 1 1 43 43 GLU N N 43 118.700 118.700 118.873 -0.173 17821 2811 1 9 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.264 -0.214 17821 2812 1 9 . 1 1 43 43 GLU C C 43 175.300 175.300 177.682 -2.382 17821 2813 1 9 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.536 -2.236 17821 2814 1 9 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.358 -2.159 17821 2815 1 9 . 1 1 43 43 GLU H H 43 7.600 7.600 8.245 -0.645 17821 2816 1 9 . 1 1 44 44 LYS N N 44 114.600 114.600 115.899 -1.299 17821 2817 1 9 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.488 -0.038 17821 2818 1 9 . 1 1 44 44 LYS C C 44 174.500 174.500 176.123 -1.623 17821 2819 1 9 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.454 -2.654 17821 2820 1 9 . 1 1 44 44 LYS CB C 44 32.700 32.700 35.299 -2.599 17821 2821 1 9 . 1 1 44 44 LYS H H 44 8.860 8.860 8.301 0.559 17821 2822 1 9 . 1 1 45 45 GLY N N 45 108.700 108.700 108.489 0.211 17821 2823 1 9 . 1 1 45 45 GLY C C 45 171.000 171.000 175.191 -4.191 17821 2824 1 9 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.529 -3.229 17821 2825 1 9 . 1 1 45 45 GLY H H 45 7.690 7.690 8.123 -0.433 17821 2826 1 9 . 1 1 46 46 GLU N N 46 120.800 120.800 122.901 -2.101 17821 2827 1 9 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.856 -0.416 17821 2828 1 9 . 1 1 46 46 GLU C C 46 175.800 175.800 178.620 -2.820 17821 2829 1 9 . 1 1 46 46 GLU CA C 46 58.300 58.300 60.064 -1.764 17821 2830 1 9 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.665 -2.565 17821 2831 1 9 . 1 1 46 46 GLU H H 46 8.900 8.900 8.952 -0.052 17821 2832 1 9 . 1 1 47 47 GLU N N 47 118.700 118.700 117.539 1.161 17821 2833 1 9 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.112 -0.172 17821 2834 1 9 . 1 1 47 47 GLU C C 47 174.300 174.300 177.559 -3.259 17821 2835 1 9 . 1 1 47 47 GLU CA C 47 55.900 55.900 57.904 -2.004 17821 2836 1 9 . 1 1 47 47 GLU CB C 47 25.500 25.500 29.202 -3.702 17821 2837 1 9 . 1 1 47 47 GLU H H 47 9.530 9.530 8.794 0.736 17821 2838 1 9 . 1 1 48 48 HIS N N 48 117.500 117.500 115.037 2.463 17821 2839 1 9 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.858 0.012 17821 2840 1 9 . 1 1 48 48 HIS C C 48 173.300 173.300 175.152 -1.852 17821 2841 1 9 . 1 1 48 48 HIS CA C 48 53.100 53.100 56.468 -3.368 17821 2842 1 9 . 1 1 48 48 HIS CB C 48 28.900 28.900 30.745 -1.845 17821 2843 1 9 . 1 1 48 48 HIS H H 48 7.500 7.500 7.894 -0.394 17821 2844 1 9 . 1 1 49 49 CYS N N 49 116.100 116.100 118.561 -2.461 17821 2845 1 9 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.956 0.094 17821 2846 1 9 . 1 1 49 49 CYS C C 49 173.700 173.700 176.100 -2.400 17821 2847 1 9 . 1 1 49 49 CYS CA C 49 51.700 51.700 58.129 -6.429 17821 2848 1 9 . 1 1 49 49 CYS CB C 49 39.500 39.500 27.139 12.361 17821 2849 1 9 . 1 1 49 49 CYS H H 49 7.460 7.460 7.742 -0.282 17821 2850 1 9 . 1 1 50 50 GLY N N 50 112.900 112.900 110.414 2.486 17821 2851 1 9 . 1 1 50 50 GLY C C 50 172.500 172.500 175.408 -2.908 17821 2852 1 9 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.219 -1.919 17821 2853 1 9 . 1 1 50 50 GLY H H 50 9.150 9.150 8.815 0.335 17821 2854 1 9 . 1 1 51 51 HIS C C 51 175.400 175.400 177.454 -2.054 17821 2855 1 9 . 1 1 51 51 HIS CA C 51 56.400 56.400 59.166 -2.766 17821 2856 1 9 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.541 -3.542 17821 2857 1 9 . 1 1 52 52 LEU N N 52 122.000 122.000 120.592 1.408 17821 2858 1 9 . 1 1 52 52 LEU HA H 52 4.110 4.110 3.848 0.262 17821 2859 1 9 . 1 1 52 52 LEU C C 52 177.700 177.700 178.492 -0.792 17821 2860 1 9 . 1 1 52 52 LEU CA C 52 53.800 53.800 57.324 -3.524 17821 2861 1 9 . 1 1 52 52 LEU CB C 52 39.500 39.500 40.749 -1.249 17821 2862 1 9 . 1 1 52 52 LEU H H 52 6.810 6.810 8.097 -1.287 17821 2863 1 9 . 1 1 53 53 ILE N N 53 124.200 124.200 118.819 5.381 17821 2864 1 9 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.576 -0.146 17821 2865 1 9 . 1 1 53 53 ILE C C 53 176.100 176.100 178.401 -2.301 17821 2866 1 9 . 1 1 53 53 ILE CA C 53 63.200 63.200 64.933 -1.733 17821 2867 1 9 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.542 -1.642 17821 2868 1 9 . 1 1 53 53 ILE H H 53 8.170 8.170 7.460 0.710 17821 2869 1 9 . 1 1 54 54 GLU N N 54 120.600 120.600 120.337 0.263 17821 2870 1 9 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.833 0.197 17821 2871 1 9 . 1 1 54 54 GLU C C 54 175.400 175.400 178.648 -3.248 17821 2872 1 9 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.900 -3.800 17821 2873 1 9 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.507 -3.507 17821 2874 1 9 . 1 1 54 54 GLU H H 54 8.380 8.380 8.199 0.181 17821 2875 1 9 . 1 1 55 55 ALA N N 55 120.800 120.800 121.530 -0.730 17821 2876 1 9 . 1 1 55 55 ALA HA H 55 4.120 4.120 4.009 0.111 17821 2877 1 9 . 1 1 55 55 ALA C C 55 177.900 177.900 179.857 -1.957 17821 2878 1 9 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.109 -2.909 17821 2879 1 9 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.505 -3.405 17821 2880 1 9 . 1 1 55 55 ALA H H 55 7.880 7.880 7.789 0.091 17821 2881 1 9 . 1 1 56 56 HIS N N 56 117.400 117.400 117.281 0.119 17821 2882 1 9 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.332 -0.032 17821 2883 1 9 . 1 1 56 56 HIS C C 56 173.500 173.500 178.025 -4.525 17821 2884 1 9 . 1 1 56 56 HIS CA C 56 57.000 57.000 58.573 -1.573 17821 2885 1 9 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.088 -1.788 17821 2886 1 9 . 1 1 56 56 HIS H H 56 7.640 7.640 8.015 -0.375 17821 2887 1 9 . 1 1 57 57 LYS N N 57 119.200 119.200 120.672 -1.472 17821 2888 1 9 . 1 1 57 57 LYS HA H 57 3.600 3.600 4.031 -0.431 17821 2889 1 9 . 1 1 57 57 LYS C C 57 176.200 176.200 178.810 -2.610 17821 2890 1 9 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.798 -2.198 17821 2891 1 9 . 1 1 57 57 LYS CB C 57 29.500 29.500 32.139 -2.639 17821 2892 1 9 . 1 1 57 57 LYS H H 57 7.620 7.620 8.624 -1.004 17821 2893 1 9 . 1 1 58 58 GLU N N 58 118.400 118.400 119.788 -1.388 17821 2894 1 9 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.136 -0.166 17821 2895 1 9 . 1 1 58 58 GLU C C 58 176.200 176.200 178.869 -2.669 17821 2896 1 9 . 1 1 58 58 GLU CA C 58 56.200 56.200 58.808 -2.608 17821 2897 1 9 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.326 -3.026 17821 2898 1 9 . 1 1 58 58 GLU H H 58 8.490 8.490 8.275 0.215 17821 2899 1 9 . 1 1 59 59 SER N N 59 116.100 116.100 116.440 -0.340 17821 2900 1 9 . 1 1 59 59 SER HA H 59 4.150 4.150 4.190 -0.040 17821 2901 1 9 . 1 1 59 59 SER CA C 59 58.400 58.400 61.500 -3.100 17821 2902 1 9 . 1 1 59 59 SER CB C 59 60.300 60.300 63.227 -2.927 17821 2903 1 9 . 1 1 59 59 SER H H 59 7.790 7.790 8.315 -0.525 17821 2904 1 9 . 1 1 60 60 MET N N 60 117.500 117.500 119.251 -1.751 17821 2905 1 9 . 1 1 60 60 MET HA H 60 4.170 4.170 4.159 0.011 17821 2906 1 9 . 1 1 60 60 MET C C 60 176.400 176.400 178.008 -1.608 17821 2907 1 9 . 1 1 60 60 MET CA C 60 54.400 54.400 56.185 -1.785 17821 2908 1 9 . 1 1 60 60 MET CB C 60 29.100 29.100 31.257 -2.157 17821 2909 1 9 . 1 1 60 60 MET H H 60 7.880 7.880 7.998 -0.118 17821 2910 1 9 . 1 1 61 61 ARG N N 61 121.300 121.300 120.512 0.788 17821 2911 1 9 . 1 1 61 61 ARG HA H 61 4.170 4.170 4.053 0.117 17821 2912 1 9 . 1 1 61 61 ARG C C 61 177.500 177.500 178.771 -1.271 17821 2913 1 9 . 1 1 61 61 ARG CA C 61 56.100 56.100 59.033 -2.933 17821 2914 1 9 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.039 -2.539 17821 2915 1 9 . 1 1 61 61 ARG H H 61 8.290 8.290 8.432 -0.142 17821 2916 1 9 . 1 1 62 62 ALA N N 62 123.200 123.200 122.947 0.253 17821 2917 1 9 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.135 -0.065 17821 2918 1 9 . 1 1 62 62 ALA C C 62 176.400 176.400 178.475 -2.075 17821 2919 1 9 . 1 1 62 62 ALA CA C 62 51.500 51.500 54.237 -2.737 17821 2920 1 9 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.342 -3.242 17821 2921 1 9 . 1 1 62 62 ALA H H 62 7.950 7.950 7.857 0.093 17821 2922 1 9 . 1 1 63 63 LEU N N 63 117.500 117.500 117.460 0.040 17821 2923 1 9 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.252 -0.052 17821 2924 1 9 . 1 1 63 63 LEU C C 63 174.400 174.400 177.134 -2.734 17821 2925 1 9 . 1 1 63 63 LEU CA C 63 52.900 52.900 53.977 -1.077 17821 2926 1 9 . 1 1 63 63 LEU CB C 63 39.800 39.800 40.337 -0.537 17821 2927 1 9 . 1 1 63 63 LEU H H 63 7.450 7.450 7.159 0.291 17821 2928 1 9 . 1 1 64 64 GLY N N 64 106.300 106.300 108.118 -1.818 17821 2929 1 9 . 1 1 64 64 GLY C C 64 171.400 171.400 174.978 -3.578 17821 2930 1 9 . 1 1 64 64 GLY CA C 64 42.100 42.100 46.023 -3.924 17821 2931 1 9 . 1 1 64 64 GLY H H 64 7.780 7.780 7.753 0.027 17821 2932 1 9 . 1 1 65 65 PHE N N 65 119.800 119.800 115.741 4.059 17821 2933 1 9 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.929 -0.459 17821 2934 1 9 . 1 1 65 65 PHE C C 65 172.300 172.300 174.984 -2.684 17821 2935 1 9 . 1 1 65 65 PHE CA C 65 54.900 54.900 55.935 -1.035 17821 2936 1 9 . 1 1 65 65 PHE CB C 65 36.900 36.900 38.786 -1.887 17821 2937 1 9 . 1 1 65 65 PHE H H 65 7.840 7.840 7.523 0.317 17821 2938 1 9 . 1 1 66 66 LYS N N 66 124.000 124.000 120.395 3.605 17821 2939 1 9 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.457 -0.197 17821 2940 1 9 . 1 1 66 66 LYS C C 66 172.200 172.200 175.612 -3.412 17821 2941 1 9 . 1 1 66 66 LYS CA C 66 53.200 53.200 57.124 -3.924 17821 2942 1 9 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.699 -4.399 17821 2943 1 9 . 1 1 66 66 LYS H H 66 8.370 8.370 8.324 0.046 17821 2944 1 10 . 1 1 4 4 THR N N 4 117.400 117.400 116.843 0.557 17821 2945 1 10 . 1 1 4 4 THR HA H 4 4.130 4.130 4.584 -0.454 17821 2946 1 10 . 1 1 4 4 THR C C 4 170.800 170.800 174.273 -3.473 17821 2947 1 10 . 1 1 4 4 THR CA C 4 58.800 58.800 61.035 -2.235 17821 2948 1 10 . 1 1 4 4 THR CB C 4 67.000 67.000 69.840 -2.840 17821 2949 1 10 . 1 1 4 4 THR H H 4 7.980 7.980 8.197 -0.217 17821 2950 1 10 . 1 1 5 5 MET N N 5 124.400 124.400 123.772 0.628 17821 2951 1 10 . 1 1 5 5 MET C C 5 171.200 171.200 174.253 -3.053 17821 2952 1 10 . 1 1 5 5 MET CA C 5 50.400 50.400 53.942 -3.542 17821 2953 1 10 . 1 1 5 5 MET CB C 5 29.600 29.600 31.160 -1.560 17821 2954 1 10 . 1 1 5 5 MET H H 5 8.250 8.250 8.381 -0.131 17821 2955 1 10 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.534 -0.254 17821 2956 1 10 . 1 1 6 6 PRO CA C 6 60.500 60.500 62.678 -2.178 17821 2957 1 10 . 1 1 6 6 PRO CB C 6 29.200 29.200 32.755 -3.555 17821 2958 1 10 . 1 1 7 7 GLY N N 7 109.000 109.000 110.416 -1.416 17821 2959 1 10 . 1 1 7 7 GLY C C 7 171.200 171.200 174.326 -3.126 17821 2960 1 10 . 1 1 7 7 GLY CA C 7 42.400 42.400 44.872 -2.472 17821 2961 1 10 . 1 1 7 7 GLY H H 7 8.360 8.360 8.595 -0.235 17821 2962 1 10 . 1 1 8 8 LEU N N 8 121.700 121.700 122.044 -0.344 17821 2963 1 10 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.361 -0.101 17821 2964 1 10 . 1 1 8 8 LEU C C 8 174.600 174.600 176.413 -1.813 17821 2965 1 10 . 1 1 8 8 LEU CA C 8 52.300 52.300 54.279 -1.979 17821 2966 1 10 . 1 1 8 8 LEU CB C 8 39.400 39.400 38.995 0.405 17821 2967 1 10 . 1 1 8 8 LEU H H 8 7.920 7.920 8.202 -0.282 17821 2968 1 10 . 1 1 9 9 VAL N N 9 120.900 120.900 119.154 1.746 17821 2969 1 10 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.435 -0.455 17821 2970 1 10 . 1 1 9 9 VAL C C 9 172.900 172.900 175.393 -2.493 17821 2971 1 10 . 1 1 9 9 VAL CA C 9 59.400 59.400 61.171 -1.771 17821 2972 1 10 . 1 1 9 9 VAL CB C 9 30.000 30.000 33.258 -3.258 17821 2973 1 10 . 1 1 9 9 VAL H H 9 8.050 8.050 7.782 0.268 17821 2974 1 10 . 1 1 10 10 ASP N N 10 124.300 124.300 128.416 -4.116 17821 2975 1 10 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.922 -0.452 17821 2976 1 10 . 1 1 10 10 ASP C C 10 173.100 173.100 175.890 -2.790 17821 2977 1 10 . 1 1 10 10 ASP CA C 10 51.500 51.500 54.675 -3.175 17821 2978 1 10 . 1 1 10 10 ASP CB C 10 38.300 38.300 40.899 -2.599 17821 2979 1 10 . 1 1 10 10 ASP H H 10 8.300 8.300 8.702 -0.402 17821 2980 1 10 . 1 1 11 11 SER N N 11 116.400 116.400 116.797 -0.397 17821 2981 1 10 . 1 1 11 11 SER HA H 11 4.290 4.290 4.479 -0.189 17821 2982 1 10 . 1 1 11 11 SER C C 11 171.200 171.200 174.793 -3.593 17821 2983 1 10 . 1 1 11 11 SER CA C 11 55.500 55.500 57.812 -2.312 17821 2984 1 10 . 1 1 11 11 SER CB C 11 60.900 60.900 63.929 -3.029 17821 2985 1 10 . 1 1 11 11 SER H H 11 8.130 8.130 8.432 -0.302 17821 2986 1 10 . 1 1 12 12 ASN N N 12 121.600 121.600 123.592 -1.992 17821 2987 1 10 . 1 1 12 12 ASN HA H 12 4.230 4.230 4.852 -0.622 17821 2988 1 10 . 1 1 12 12 ASN C C 12 170.000 170.000 173.983 -3.983 17821 2989 1 10 . 1 1 12 12 ASN CA C 12 56.500 56.500 51.983 4.517 17821 2990 1 10 . 1 1 12 12 ASN CB C 12 36.000 36.000 38.804 -2.804 17821 2991 1 10 . 1 1 12 12 ASN H H 12 8.360 8.360 8.144 0.216 17821 2992 1 10 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.378 -0.088 17821 2993 1 10 . 1 1 13 13 PRO CA C 13 60.300 60.300 62.571 -2.271 17821 2994 1 10 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.275 -3.075 17821 2995 1 10 . 1 1 14 14 ALA N N 14 125.700 125.700 124.322 1.378 17821 2996 1 10 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.287 0.123 17821 2997 1 10 . 1 1 14 14 ALA C C 14 172.200 172.200 176.735 -4.535 17821 2998 1 10 . 1 1 14 14 ALA CA C 14 47.500 47.500 51.055 -3.555 17821 2999 1 10 . 1 1 14 14 ALA CB C 14 15.100 15.100 18.775 -3.675 17821 3000 1 10 . 1 1 14 14 ALA H H 14 8.260 8.260 8.277 -0.017 17821 3001 1 10 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.522 -0.242 17821 3002 1 10 . 1 1 16 16 PRO CA C 16 60.500 60.500 62.697 -2.197 17821 3003 1 10 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.438 -3.238 17821 3004 1 10 . 1 1 17 17 GLU N N 17 120.600 120.600 122.109 -1.509 17821 3005 1 10 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.197 -0.077 17821 3006 1 10 . 1 1 17 17 GLU C C 17 173.900 173.900 176.238 -2.338 17821 3007 1 10 . 1 1 17 17 GLU CA C 17 54.100 54.100 56.867 -2.767 17821 3008 1 10 . 1 1 17 17 GLU CB C 17 27.100 27.100 30.225 -3.125 17821 3009 1 10 . 1 1 17 17 GLU H H 17 8.550 8.550 8.572 -0.022 17821 3010 1 10 . 1 1 18 18 SER N N 18 116.400 116.400 119.606 -3.206 17821 3011 1 10 . 1 1 18 18 SER HA H 18 4.310 4.310 4.598 -0.288 17821 3012 1 10 . 1 1 18 18 SER C C 18 171.900 171.900 173.686 -1.786 17821 3013 1 10 . 1 1 18 18 SER CA C 18 55.600 55.600 57.268 -1.668 17821 3014 1 10 . 1 1 18 18 SER CB C 18 60.800 60.800 64.229 -3.429 17821 3015 1 10 . 1 1 18 18 SER H H 18 8.240 8.240 8.510 -0.270 17821 3016 1 10 . 1 1 19 19 GLN N N 19 122.300 122.300 121.323 0.977 17821 3017 1 10 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.321 -0.121 17821 3018 1 10 . 1 1 19 19 GLN C C 19 173.100 173.100 176.175 -3.075 17821 3019 1 10 . 1 1 19 19 GLN CA C 19 53.000 53.000 56.295 -3.295 17821 3020 1 10 . 1 1 19 19 GLN CB C 19 26.500 26.500 28.332 -1.832 17821 3021 1 10 . 1 1 19 19 GLN H H 19 8.310 8.310 8.470 -0.160 17821 3022 1 10 . 1 1 20 20 GLU N N 20 121.600 121.600 123.060 -1.460 17821 3023 1 10 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.523 -0.233 17821 3024 1 10 . 1 1 20 20 GLU C C 20 173.500 173.500 175.866 -2.366 17821 3025 1 10 . 1 1 20 20 GLU CA C 20 53.900 53.900 55.467 -1.567 17821 3026 1 10 . 1 1 20 20 GLU CB C 20 27.400 27.400 32.293 -4.893 17821 3027 1 10 . 1 1 20 20 GLU H H 20 8.240 8.240 8.458 -0.218 17821 3028 1 10 . 1 1 21 21 LYS N N 21 122.900 122.900 122.060 0.840 17821 3029 1 10 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.379 -0.199 17821 3030 1 10 . 1 1 21 21 LYS C C 21 173.400 173.400 175.795 -2.395 17821 3031 1 10 . 1 1 21 21 LYS CA C 21 53.300 53.300 56.664 -3.364 17821 3032 1 10 . 1 1 21 21 LYS CB C 21 29.800 29.800 33.015 -3.215 17821 3033 1 10 . 1 1 21 21 LYS H H 21 8.260 8.260 8.167 0.093 17821 3034 1 10 . 1 1 22 22 LYS N N 22 124.000 124.000 122.128 1.872 17821 3035 1 10 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.717 -0.267 17821 3036 1 10 . 1 1 22 22 LYS C C 22 171.500 171.500 174.670 -3.170 17821 3037 1 10 . 1 1 22 22 LYS CA C 22 51.200 51.200 54.173 -2.974 17821 3038 1 10 . 1 1 22 22 LYS CB C 22 29.500 29.500 32.182 -2.682 17821 3039 1 10 . 1 1 22 22 LYS H H 22 8.220 8.220 8.146 0.074 17821 3040 1 10 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.316 -0.026 17821 3041 1 10 . 1 1 23 23 PRO CA C 23 60.100 60.100 63.155 -3.055 17821 3042 1 10 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.160 -2.961 17821 3043 1 10 . 1 1 24 24 LEU N N 24 122.700 122.700 122.827 -0.127 17821 3044 1 10 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.465 -0.305 17821 3045 1 10 . 1 1 24 24 LEU C C 24 174.400 174.400 177.451 -3.051 17821 3046 1 10 . 1 1 24 24 LEU CA C 24 52.400 52.400 54.644 -2.244 17821 3047 1 10 . 1 1 24 24 LEU CB C 24 39.600 39.600 42.639 -3.039 17821 3048 1 10 . 1 1 24 24 LEU H H 24 8.270 8.270 8.232 0.038 17821 3049 1 10 . 1 1 25 25 LYS N N 25 123.400 123.400 124.471 -1.071 17821 3050 1 10 . 1 1 25 25 LYS C C 25 171.600 171.600 174.988 -3.388 17821 3051 1 10 . 1 1 25 25 LYS CA C 25 50.900 50.900 54.725 -3.825 17821 3052 1 10 . 1 1 25 25 LYS CB C 25 29.800 29.800 32.417 -2.617 17821 3053 1 10 . 1 1 25 25 LYS H H 25 8.180 8.180 8.363 -0.183 17821 3054 1 10 . 1 1 28 28 CYS CA C 28 46.000 46.000 60.086 -14.086 17821 3055 1 10 . 1 1 28 28 CYS CB C 28 31.000 31.000 27.410 3.591 17821 3056 1 10 . 1 1 29 29 ALA N N 29 123.800 123.800 122.695 1.105 17821 3057 1 10 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.530 -0.380 17821 3058 1 10 . 1 1 29 29 ALA C C 29 173.200 173.200 175.377 -2.177 17821 3059 1 10 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.417 -1.717 17821 3060 1 10 . 1 1 29 29 ALA CB C 29 17.600 17.600 20.548 -2.948 17821 3061 1 10 . 1 1 29 29 ALA H H 29 8.050 8.050 7.727 0.323 17821 3062 1 10 . 1 1 30 30 SER N N 30 112.800 112.800 113.628 -0.828 17821 3063 1 10 . 1 1 30 30 SER HA H 30 4.580 4.580 4.926 -0.346 17821 3064 1 10 . 1 1 30 30 SER C C 30 173.300 173.300 174.310 -1.010 17821 3065 1 10 . 1 1 30 30 SER CA C 30 52.600 52.600 54.634 -2.034 17821 3066 1 10 . 1 1 30 30 SER CB C 30 59.400 59.400 62.992 -3.592 17821 3067 1 10 . 1 1 30 30 SER H H 30 8.270 8.270 8.593 -0.323 17821 3068 1 10 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.213 -0.053 17821 3069 1 10 . 1 1 31 31 PRO CA C 31 61.800 61.800 65.193 -3.393 17821 3070 1 10 . 1 1 31 31 PRO CB C 31 29.300 29.300 32.012 -2.712 17821 3071 1 10 . 1 1 32 32 GLU N N 32 119.100 119.100 117.930 1.170 17821 3072 1 10 . 1 1 32 32 GLU HA H 32 4.060 4.060 4.121 -0.061 17821 3073 1 10 . 1 1 32 32 GLU C C 32 177.300 177.300 178.713 -1.413 17821 3074 1 10 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.587 -2.687 17821 3075 1 10 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.558 -2.558 17821 3076 1 10 . 1 1 32 32 GLU H H 32 8.720 8.720 8.861 -0.141 17821 3077 1 10 . 1 1 33 33 THR N N 33 110.800 110.800 112.409 -1.609 17821 3078 1 10 . 1 1 33 33 THR HA H 33 4.040 4.040 4.102 -0.062 17821 3079 1 10 . 1 1 33 33 THR C C 33 176.000 176.000 176.472 -0.472 17821 3080 1 10 . 1 1 33 33 THR CA C 33 61.700 61.700 65.716 -4.016 17821 3081 1 10 . 1 1 33 33 THR CB C 33 64.100 64.100 68.862 -4.762 17821 3082 1 10 . 1 1 33 33 THR H H 33 7.620 7.620 7.888 -0.268 17821 3083 1 10 . 1 1 34 34 LYS N N 34 127.100 127.100 123.062 4.038 17821 3084 1 10 . 1 1 34 34 LYS HA H 34 2.920 2.920 4.090 -1.170 17821 3085 1 10 . 1 1 34 34 LYS C C 34 174.300 174.300 178.746 -4.446 17821 3086 1 10 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.789 -2.489 17821 3087 1 10 . 1 1 34 34 LYS CB C 34 30.000 30.000 32.575 -2.575 17821 3088 1 10 . 1 1 34 34 LYS H H 34 7.740 7.740 7.821 -0.081 17821 3089 1 10 . 1 1 35 35 LYS N N 35 118.500 118.500 119.315 -0.815 17821 3090 1 10 . 1 1 35 35 LYS HA H 35 3.890 3.890 3.984 -0.094 17821 3091 1 10 . 1 1 35 35 LYS C C 35 176.500 176.500 179.027 -2.527 17821 3092 1 10 . 1 1 35 35 LYS CA C 35 56.700 56.700 59.290 -2.590 17821 3093 1 10 . 1 1 35 35 LYS CB C 35 29.500 29.500 32.096 -2.596 17821 3094 1 10 . 1 1 35 35 LYS H H 35 7.880 7.880 8.171 -0.291 17821 3095 1 10 . 1 1 36 36 ALA N N 36 120.100 120.100 121.473 -1.373 17821 3096 1 10 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.127 -0.087 17821 3097 1 10 . 1 1 36 36 ALA C C 36 177.600 177.600 179.654 -2.054 17821 3098 1 10 . 1 1 36 36 ALA CA C 36 52.000 52.000 55.024 -3.024 17821 3099 1 10 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.305 -2.905 17821 3100 1 10 . 1 1 36 36 ALA H H 36 7.490 7.490 8.263 -0.773 17821 3101 1 10 . 1 1 37 37 ARG N N 37 118.500 118.500 119.355 -0.855 17821 3102 1 10 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.919 -0.299 17821 3103 1 10 . 1 1 37 37 ARG C C 37 174.100 174.100 177.818 -3.718 17821 3104 1 10 . 1 1 37 37 ARG CA C 37 56.600 56.600 59.936 -3.336 17821 3105 1 10 . 1 1 37 37 ARG CB C 37 27.100 27.100 30.139 -3.039 17821 3106 1 10 . 1 1 37 37 ARG H H 37 7.630 7.630 8.388 -0.758 17821 3107 1 10 . 1 1 38 38 ASP N N 38 120.200 120.200 118.876 1.324 17821 3108 1 10 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.402 -0.132 17821 3109 1 10 . 1 1 38 38 ASP C C 38 175.500 175.500 178.423 -2.923 17821 3110 1 10 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.285 -2.585 17821 3111 1 10 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.744 -4.544 17821 3112 1 10 . 1 1 38 38 ASP H H 38 8.680 8.680 8.071 0.609 17821 3113 1 10 . 1 1 39 39 ALA N N 39 121.100 121.100 121.887 -0.787 17821 3114 1 10 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.085 -0.075 17821 3115 1 10 . 1 1 39 39 ALA C C 39 176.800 176.800 179.194 -2.394 17821 3116 1 10 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.276 -3.176 17821 3117 1 10 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.164 -2.964 17821 3118 1 10 . 1 1 39 39 ALA H H 39 8.040 8.040 8.462 -0.422 17821 3119 1 10 . 1 1 40 40 CYS N N 40 117.600 117.600 118.683 -1.083 17821 3120 1 10 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.144 0.036 17821 3121 1 10 . 1 1 40 40 CYS C C 40 173.800 173.800 176.925 -3.125 17821 3122 1 10 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.793 -4.893 17821 3123 1 10 . 1 1 40 40 CYS CB C 40 36.400 36.400 25.810 10.590 17821 3124 1 10 . 1 1 40 40 CYS H H 40 7.340 7.340 8.166 -0.826 17821 3125 1 10 . 1 1 41 41 ILE N N 41 121.500 121.500 120.916 0.584 17821 3126 1 10 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.764 -0.714 17821 3127 1 10 . 1 1 41 41 ILE C C 41 176.100 176.100 178.239 -2.139 17821 3128 1 10 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.997 -1.597 17821 3129 1 10 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.705 -2.405 17821 3130 1 10 . 1 1 41 41 ILE H H 41 8.230 8.230 8.542 -0.312 17821 3131 1 10 . 1 1 42 42 ILE N N 42 119.200 119.200 119.479 -0.279 17821 3132 1 10 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.792 -0.102 17821 3133 1 10 . 1 1 42 42 ILE C C 42 174.200 174.200 178.049 -3.849 17821 3134 1 10 . 1 1 42 42 ILE CA C 42 61.300 61.300 63.583 -2.283 17821 3135 1 10 . 1 1 42 42 ILE CB C 42 35.800 35.800 37.207 -1.407 17821 3136 1 10 . 1 1 42 42 ILE H H 42 7.770 7.770 7.865 -0.095 17821 3137 1 10 . 1 1 43 43 GLU N N 43 118.700 118.700 117.798 0.902 17821 3138 1 10 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.187 -0.137 17821 3139 1 10 . 1 1 43 43 GLU C C 43 175.300 175.300 178.006 -2.706 17821 3140 1 10 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.355 -2.055 17821 3141 1 10 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.776 -2.576 17821 3142 1 10 . 1 1 43 43 GLU H H 43 7.600 7.600 8.297 -0.697 17821 3143 1 10 . 1 1 44 44 LYS N N 44 114.600 114.600 114.878 -0.278 17821 3144 1 10 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.632 -0.182 17821 3145 1 10 . 1 1 44 44 LYS C C 44 174.500 174.500 175.844 -1.344 17821 3146 1 10 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.190 -2.390 17821 3147 1 10 . 1 1 44 44 LYS CB C 44 32.700 32.700 35.226 -2.526 17821 3148 1 10 . 1 1 44 44 LYS H H 44 8.860 8.860 8.503 0.357 17821 3149 1 10 . 1 1 45 45 GLY N N 45 108.700 108.700 109.310 -0.610 17821 3150 1 10 . 1 1 45 45 GLY C C 45 171.000 171.000 174.902 -3.902 17821 3151 1 10 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.702 -3.402 17821 3152 1 10 . 1 1 45 45 GLY H H 45 7.690 7.690 8.005 -0.315 17821 3153 1 10 . 1 1 46 46 GLU N N 46 120.800 120.800 122.210 -1.410 17821 3154 1 10 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.789 -0.349 17821 3155 1 10 . 1 1 46 46 GLU C C 46 175.800 175.800 178.350 -2.550 17821 3156 1 10 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.904 -1.604 17821 3157 1 10 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.565 -2.465 17821 3158 1 10 . 1 1 46 46 GLU H H 46 8.900 8.900 8.923 -0.023 17821 3159 1 10 . 1 1 47 47 GLU N N 47 118.700 118.700 117.753 0.947 17821 3160 1 10 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.038 -0.098 17821 3161 1 10 . 1 1 47 47 GLU C C 47 174.300 174.300 177.261 -2.961 17821 3162 1 10 . 1 1 47 47 GLU CA C 47 55.900 55.900 57.763 -1.863 17821 3163 1 10 . 1 1 47 47 GLU CB C 47 25.500 25.500 28.548 -3.048 17821 3164 1 10 . 1 1 47 47 GLU H H 47 9.530 9.530 8.753 0.777 17821 3165 1 10 . 1 1 48 48 HIS N N 48 117.500 117.500 116.033 1.467 17821 3166 1 10 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.846 0.024 17821 3167 1 10 . 1 1 48 48 HIS C C 48 173.300 173.300 174.731 -1.431 17821 3168 1 10 . 1 1 48 48 HIS CA C 48 53.100 53.100 56.032 -2.932 17821 3169 1 10 . 1 1 48 48 HIS CB C 48 28.900 28.900 30.655 -1.755 17821 3170 1 10 . 1 1 48 48 HIS H H 48 7.500 7.500 7.663 -0.163 17821 3171 1 10 . 1 1 49 49 CYS N N 49 116.100 116.100 118.708 -2.608 17821 3172 1 10 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.855 0.195 17821 3173 1 10 . 1 1 49 49 CYS C C 49 173.700 173.700 175.783 -2.083 17821 3174 1 10 . 1 1 49 49 CYS CA C 49 51.700 51.700 57.774 -6.074 17821 3175 1 10 . 1 1 49 49 CYS CB C 49 39.500 39.500 28.112 11.388 17821 3176 1 10 . 1 1 49 49 CYS H H 49 7.460 7.460 7.599 -0.139 17821 3177 1 10 . 1 1 50 50 GLY N N 50 112.900 112.900 110.783 2.117 17821 3178 1 10 . 1 1 50 50 GLY C C 50 172.500 172.500 175.528 -3.028 17821 3179 1 10 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.612 -2.312 17821 3180 1 10 . 1 1 50 50 GLY H H 50 9.150 9.150 8.560 0.590 17821 3181 1 10 . 1 1 51 51 HIS C C 51 175.400 175.400 177.121 -1.721 17821 3182 1 10 . 1 1 51 51 HIS CA C 51 56.400 56.400 58.776 -2.376 17821 3183 1 10 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.863 -3.863 17821 3184 1 10 . 1 1 52 52 LEU N N 52 122.000 122.000 120.787 1.213 17821 3185 1 10 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.131 -0.021 17821 3186 1 10 . 1 1 52 52 LEU C C 52 177.700 177.700 178.797 -1.097 17821 3187 1 10 . 1 1 52 52 LEU CA C 52 53.800 53.800 57.339 -3.538 17821 3188 1 10 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.296 -1.796 17821 3189 1 10 . 1 1 52 52 LEU H H 52 6.810 6.810 7.757 -0.947 17821 3190 1 10 . 1 1 53 53 ILE N N 53 124.200 124.200 120.692 3.508 17821 3191 1 10 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.556 -0.126 17821 3192 1 10 . 1 1 53 53 ILE C C 53 176.100 176.100 178.151 -2.051 17821 3193 1 10 . 1 1 53 53 ILE CA C 53 63.200 63.200 66.048 -2.848 17821 3194 1 10 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.794 -1.895 17821 3195 1 10 . 1 1 53 53 ILE H H 53 8.170 8.170 8.343 -0.173 17821 3196 1 10 . 1 1 54 54 GLU N N 54 120.600 120.600 120.281 0.319 17821 3197 1 10 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.906 0.124 17821 3198 1 10 . 1 1 54 54 GLU C C 54 175.400 175.400 178.577 -3.177 17821 3199 1 10 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.948 -3.848 17821 3200 1 10 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.631 -3.631 17821 3201 1 10 . 1 1 54 54 GLU H H 54 8.380 8.380 8.512 -0.132 17821 3202 1 10 . 1 1 55 55 ALA N N 55 120.800 120.800 122.175 -1.375 17821 3203 1 10 . 1 1 55 55 ALA HA H 55 4.120 4.120 3.910 0.210 17821 3204 1 10 . 1 1 55 55 ALA C C 55 177.900 177.900 179.285 -1.385 17821 3205 1 10 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.123 -2.923 17821 3206 1 10 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.001 -2.901 17821 3207 1 10 . 1 1 55 55 ALA H H 55 7.880 7.880 7.803 0.077 17821 3208 1 10 . 1 1 56 56 HIS N N 56 117.400 117.400 119.011 -1.611 17821 3209 1 10 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.282 0.018 17821 3210 1 10 . 1 1 56 56 HIS C C 56 173.500 173.500 177.577 -4.077 17821 3211 1 10 . 1 1 56 56 HIS CA C 56 57.000 57.000 59.891 -2.891 17821 3212 1 10 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.374 -2.074 17821 3213 1 10 . 1 1 56 56 HIS H H 56 7.640 7.640 8.502 -0.862 17821 3214 1 10 . 1 1 57 57 LYS N N 57 119.200 119.200 118.872 0.328 17821 3215 1 10 . 1 1 57 57 LYS HA H 57 3.600 3.600 4.075 -0.475 17821 3216 1 10 . 1 1 57 57 LYS C C 57 176.200 176.200 178.922 -2.722 17821 3217 1 10 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.565 -1.965 17821 3218 1 10 . 1 1 57 57 LYS CB C 57 29.500 29.500 32.254 -2.754 17821 3219 1 10 . 1 1 57 57 LYS H H 57 7.620 7.620 8.250 -0.630 17821 3220 1 10 . 1 1 58 58 GLU N N 58 118.400 118.400 120.829 -2.429 17821 3221 1 10 . 1 1 58 58 GLU HA H 58 3.970 3.970 3.971 -0.001 17821 3222 1 10 . 1 1 58 58 GLU C C 58 176.200 176.200 178.939 -2.739 17821 3223 1 10 . 1 1 58 58 GLU CA C 58 56.200 56.200 59.160 -2.960 17821 3224 1 10 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.324 -3.024 17821 3225 1 10 . 1 1 58 58 GLU H H 58 8.490 8.490 8.529 -0.039 17821 3226 1 10 . 1 1 59 59 SER N N 59 116.100 116.100 115.299 0.801 17821 3227 1 10 . 1 1 59 59 SER HA H 59 4.150 4.150 4.128 0.022 17821 3228 1 10 . 1 1 59 59 SER CA C 59 58.400 58.400 61.169 -2.769 17821 3229 1 10 . 1 1 59 59 SER CB C 59 60.300 60.300 63.123 -2.823 17821 3230 1 10 . 1 1 59 59 SER H H 59 7.790 7.790 8.153 -0.363 17821 3231 1 10 . 1 1 60 60 MET N N 60 117.500 117.500 120.057 -2.557 17821 3232 1 10 . 1 1 60 60 MET HA H 60 4.170 4.170 3.966 0.204 17821 3233 1 10 . 1 1 60 60 MET C C 60 176.400 176.400 177.458 -1.058 17821 3234 1 10 . 1 1 60 60 MET CA C 60 54.400 54.400 57.951 -3.551 17821 3235 1 10 . 1 1 60 60 MET CB C 60 29.100 29.100 32.550 -3.450 17821 3236 1 10 . 1 1 60 60 MET H H 60 7.880 7.880 7.875 0.005 17821 3237 1 10 . 1 1 61 61 ARG N N 61 121.300 121.300 120.430 0.870 17821 3238 1 10 . 1 1 61 61 ARG HA H 61 4.170 4.170 3.902 0.268 17821 3239 1 10 . 1 1 61 61 ARG C C 61 177.500 177.500 178.166 -0.666 17821 3240 1 10 . 1 1 61 61 ARG CA C 61 56.100 56.100 59.035 -2.935 17821 3241 1 10 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.173 -2.673 17821 3242 1 10 . 1 1 61 61 ARG H H 61 8.290 8.290 7.976 0.314 17821 3243 1 10 . 1 1 62 62 ALA N N 62 123.200 123.200 121.454 1.746 17821 3244 1 10 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.107 -0.037 17821 3245 1 10 . 1 1 62 62 ALA C C 62 176.400 176.400 178.466 -2.066 17821 3246 1 10 . 1 1 62 62 ALA CA C 62 51.500 51.500 53.962 -2.462 17821 3247 1 10 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.518 -3.418 17821 3248 1 10 . 1 1 62 62 ALA H H 62 7.950 7.950 7.755 0.195 17821 3249 1 10 . 1 1 63 63 LEU N N 63 117.500 117.500 116.824 0.676 17821 3250 1 10 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.367 -0.167 17821 3251 1 10 . 1 1 63 63 LEU C C 63 174.400 174.400 177.391 -2.991 17821 3252 1 10 . 1 1 63 63 LEU CA C 63 52.900 52.900 54.553 -1.653 17821 3253 1 10 . 1 1 63 63 LEU CB C 63 39.800 39.800 41.455 -1.655 17821 3254 1 10 . 1 1 63 63 LEU H H 63 7.450 7.450 7.521 -0.071 17821 3255 1 10 . 1 1 64 64 GLY N N 64 106.300 106.300 108.219 -1.919 17821 3256 1 10 . 1 1 64 64 GLY C C 64 171.400 171.400 175.080 -3.680 17821 3257 1 10 . 1 1 64 64 GLY CA C 64 42.100 42.100 45.669 -3.569 17821 3258 1 10 . 1 1 64 64 GLY H H 64 7.780 7.780 7.408 0.372 17821 3259 1 10 . 1 1 65 65 PHE N N 65 119.800 119.800 115.879 3.921 17821 3260 1 10 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.940 -0.470 17821 3261 1 10 . 1 1 65 65 PHE C C 65 172.300 172.300 175.048 -2.748 17821 3262 1 10 . 1 1 65 65 PHE CA C 65 54.900 54.900 56.275 -1.375 17821 3263 1 10 . 1 1 65 65 PHE CB C 65 36.900 36.900 38.899 -1.999 17821 3264 1 10 . 1 1 65 65 PHE H H 65 7.840 7.840 7.234 0.606 17821 3265 1 10 . 1 1 66 66 LYS N N 66 124.000 124.000 120.896 3.104 17821 3266 1 10 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.675 -0.415 17821 3267 1 10 . 1 1 66 66 LYS C C 66 172.200 172.200 175.727 -3.527 17821 3268 1 10 . 1 1 66 66 LYS CA C 66 53.200 53.200 55.561 -2.361 17821 3269 1 10 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.633 -4.333 17821 3270 1 10 . 1 1 66 66 LYS H H 66 8.370 8.370 7.676 0.694 17821 3271 1 11 . 1 1 4 4 THR N N 4 117.400 117.400 111.296 6.104 17821 3272 1 11 . 1 1 4 4 THR HA H 4 4.130 4.130 4.074 0.056 17821 3273 1 11 . 1 1 4 4 THR C C 4 170.800 170.800 175.368 -4.568 17821 3274 1 11 . 1 1 4 4 THR CA C 4 58.800 58.800 62.948 -4.148 17821 3275 1 11 . 1 1 4 4 THR CB C 4 67.000 67.000 68.965 -1.965 17821 3276 1 11 . 1 1 4 4 THR H H 4 7.980 7.980 7.809 0.171 17821 3277 1 11 . 1 1 5 5 MET N N 5 124.400 124.400 123.474 0.926 17821 3278 1 11 . 1 1 5 5 MET C C 5 171.200 171.200 174.403 -3.203 17821 3279 1 11 . 1 1 5 5 MET CA C 5 50.400 50.400 53.301 -2.901 17821 3280 1 11 . 1 1 5 5 MET CB C 5 29.600 29.600 32.812 -3.212 17821 3281 1 11 . 1 1 5 5 MET H H 5 8.250 8.250 7.373 0.877 17821 3282 1 11 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.470 -0.190 17821 3283 1 11 . 1 1 6 6 PRO CA C 6 60.500 60.500 63.112 -2.612 17821 3284 1 11 . 1 1 6 6 PRO CB C 6 29.200 29.200 32.012 -2.812 17821 3285 1 11 . 1 1 7 7 GLY N N 7 109.000 109.000 113.112 -4.112 17821 3286 1 11 . 1 1 7 7 GLY C C 7 171.200 171.200 175.270 -4.070 17821 3287 1 11 . 1 1 7 7 GLY CA C 7 42.400 42.400 45.537 -3.137 17821 3288 1 11 . 1 1 7 7 GLY H H 7 8.360 8.360 8.447 -0.087 17821 3289 1 11 . 1 1 8 8 LEU N N 8 121.700 121.700 117.937 3.763 17821 3290 1 11 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.409 -0.149 17821 3291 1 11 . 1 1 8 8 LEU C C 8 174.600 174.600 177.592 -2.992 17821 3292 1 11 . 1 1 8 8 LEU CA C 8 52.300 52.300 55.016 -2.716 17821 3293 1 11 . 1 1 8 8 LEU CB C 8 39.400 39.400 41.498 -2.098 17821 3294 1 11 . 1 1 8 8 LEU H H 8 7.920 7.920 7.747 0.173 17821 3295 1 11 . 1 1 9 9 VAL N N 9 120.900 120.900 118.620 2.280 17821 3296 1 11 . 1 1 9 9 VAL HA H 9 3.980 3.980 3.905 0.075 17821 3297 1 11 . 1 1 9 9 VAL C C 9 172.900 172.900 175.843 -2.943 17821 3298 1 11 . 1 1 9 9 VAL CA C 9 59.400 59.400 62.115 -2.715 17821 3299 1 11 . 1 1 9 9 VAL CB C 9 30.000 30.000 30.104 -0.104 17821 3300 1 11 . 1 1 9 9 VAL H H 9 8.050 8.050 7.541 0.509 17821 3301 1 11 . 1 1 10 10 ASP N N 10 124.300 124.300 127.924 -3.624 17821 3302 1 11 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.457 0.013 17821 3303 1 11 . 1 1 10 10 ASP C C 10 173.100 173.100 176.208 -3.108 17821 3304 1 11 . 1 1 10 10 ASP CA C 10 51.500 51.500 54.496 -2.996 17821 3305 1 11 . 1 1 10 10 ASP CB C 10 38.300 38.300 41.263 -2.963 17821 3306 1 11 . 1 1 10 10 ASP H H 10 8.300 8.300 8.175 0.125 17821 3307 1 11 . 1 1 11 11 SER N N 11 116.400 116.400 119.851 -3.451 17821 3308 1 11 . 1 1 11 11 SER HA H 11 4.290 4.290 4.411 -0.121 17821 3309 1 11 . 1 1 11 11 SER C C 11 171.200 171.200 174.375 -3.175 17821 3310 1 11 . 1 1 11 11 SER CA C 11 55.500 55.500 58.156 -2.655 17821 3311 1 11 . 1 1 11 11 SER CB C 11 60.900 60.900 64.081 -3.181 17821 3312 1 11 . 1 1 11 11 SER H H 11 8.130 8.130 8.447 -0.317 17821 3313 1 11 . 1 1 12 12 ASN N N 12 121.600 121.600 122.107 -0.507 17821 3314 1 11 . 1 1 12 12 ASN HA H 12 4.230 4.230 4.778 -0.548 17821 3315 1 11 . 1 1 12 12 ASN C C 12 170.000 170.000 174.057 -4.057 17821 3316 1 11 . 1 1 12 12 ASN CA C 12 56.500 56.500 52.451 4.049 17821 3317 1 11 . 1 1 12 12 ASN CB C 12 36.000 36.000 37.656 -1.655 17821 3318 1 11 . 1 1 12 12 ASN H H 12 8.360 8.360 8.435 -0.075 17821 3319 1 11 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.366 -0.076 17821 3320 1 11 . 1 1 13 13 PRO CA C 13 60.300 60.300 62.943 -2.643 17821 3321 1 11 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.294 -3.094 17821 3322 1 11 . 1 1 14 14 ALA N N 14 125.700 125.700 123.366 2.334 17821 3323 1 11 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.233 0.177 17821 3324 1 11 . 1 1 14 14 ALA C C 14 172.200 172.200 176.563 -4.363 17821 3325 1 11 . 1 1 14 14 ALA CA C 14 47.500 47.500 51.209 -3.709 17821 3326 1 11 . 1 1 14 14 ALA CB C 14 15.100 15.100 18.467 -3.367 17821 3327 1 11 . 1 1 14 14 ALA H H 14 8.260 8.260 8.244 0.016 17821 3328 1 11 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.508 -0.228 17821 3329 1 11 . 1 1 16 16 PRO CA C 16 60.500 60.500 62.587 -2.087 17821 3330 1 11 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.488 -3.288 17821 3331 1 11 . 1 1 17 17 GLU N N 17 120.600 120.600 119.754 0.846 17821 3332 1 11 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.270 -0.150 17821 3333 1 11 . 1 1 17 17 GLU C C 17 173.900 173.900 176.284 -2.384 17821 3334 1 11 . 1 1 17 17 GLU CA C 17 54.100 54.100 55.983 -1.883 17821 3335 1 11 . 1 1 17 17 GLU CB C 17 27.100 27.100 29.978 -2.878 17821 3336 1 11 . 1 1 17 17 GLU H H 17 8.550 8.550 8.299 0.251 17821 3337 1 11 . 1 1 18 18 SER N N 18 116.400 116.400 115.971 0.429 17821 3338 1 11 . 1 1 18 18 SER HA H 18 4.310 4.310 4.323 -0.013 17821 3339 1 11 . 1 1 18 18 SER C C 18 171.900 171.900 173.760 -1.860 17821 3340 1 11 . 1 1 18 18 SER CA C 18 55.600 55.600 59.406 -3.806 17821 3341 1 11 . 1 1 18 18 SER CB C 18 60.800 60.800 63.516 -2.716 17821 3342 1 11 . 1 1 18 18 SER H H 18 8.240 8.240 8.384 -0.144 17821 3343 1 11 . 1 1 19 19 GLN N N 19 122.300 122.300 121.100 1.200 17821 3344 1 11 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.607 -0.407 17821 3345 1 11 . 1 1 19 19 GLN C C 19 173.100 173.100 174.621 -1.521 17821 3346 1 11 . 1 1 19 19 GLN CA C 19 53.000 53.000 55.188 -2.188 17821 3347 1 11 . 1 1 19 19 GLN CB C 19 26.500 26.500 31.006 -4.506 17821 3348 1 11 . 1 1 19 19 GLN H H 19 8.310 8.310 8.238 0.072 17821 3349 1 11 . 1 1 20 20 GLU N N 20 121.600 121.600 121.554 0.046 17821 3350 1 11 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.611 -0.321 17821 3351 1 11 . 1 1 20 20 GLU C C 20 173.500 173.500 175.941 -2.441 17821 3352 1 11 . 1 1 20 20 GLU CA C 20 53.900 53.900 56.046 -2.146 17821 3353 1 11 . 1 1 20 20 GLU CB C 20 27.400 27.400 31.495 -4.095 17821 3354 1 11 . 1 1 20 20 GLU H H 20 8.240 8.240 8.691 -0.451 17821 3355 1 11 . 1 1 21 21 LYS N N 21 122.900 122.900 124.530 -1.630 17821 3356 1 11 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.344 -0.164 17821 3357 1 11 . 1 1 21 21 LYS C C 21 173.400 173.400 176.543 -3.143 17821 3358 1 11 . 1 1 21 21 LYS CA C 21 53.300 53.300 56.722 -3.422 17821 3359 1 11 . 1 1 21 21 LYS CB C 21 29.800 29.800 32.982 -3.182 17821 3360 1 11 . 1 1 21 21 LYS H H 21 8.260 8.260 8.548 -0.288 17821 3361 1 11 . 1 1 22 22 LYS N N 22 124.000 124.000 121.986 2.014 17821 3362 1 11 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.699 -0.249 17821 3363 1 11 . 1 1 22 22 LYS C C 22 171.500 171.500 174.461 -2.961 17821 3364 1 11 . 1 1 22 22 LYS CA C 22 51.200 51.200 54.283 -3.083 17821 3365 1 11 . 1 1 22 22 LYS CB C 22 29.500 29.500 32.403 -2.903 17821 3366 1 11 . 1 1 22 22 LYS H H 22 8.220 8.220 8.296 -0.076 17821 3367 1 11 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.356 -0.066 17821 3368 1 11 . 1 1 23 23 PRO CA C 23 60.100 60.100 62.671 -2.571 17821 3369 1 11 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.316 -3.116 17821 3370 1 11 . 1 1 24 24 LEU N N 24 122.700 122.700 124.554 -1.854 17821 3371 1 11 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.442 -0.282 17821 3372 1 11 . 1 1 24 24 LEU C C 24 174.400 174.400 176.858 -2.458 17821 3373 1 11 . 1 1 24 24 LEU CA C 24 52.400 52.400 54.579 -2.179 17821 3374 1 11 . 1 1 24 24 LEU CB C 24 39.600 39.600 42.795 -3.195 17821 3375 1 11 . 1 1 24 24 LEU H H 24 8.270 8.270 8.196 0.074 17821 3376 1 11 . 1 1 25 25 LYS N N 25 123.400 123.400 125.709 -2.309 17821 3377 1 11 . 1 1 25 25 LYS C C 25 171.600 171.600 175.014 -3.414 17821 3378 1 11 . 1 1 25 25 LYS CA C 25 50.900 50.900 54.538 -3.639 17821 3379 1 11 . 1 1 25 25 LYS CB C 25 29.800 29.800 31.722 -1.922 17821 3380 1 11 . 1 1 25 25 LYS H H 25 8.180 8.180 8.351 -0.171 17821 3381 1 11 . 1 1 28 28 CYS CA C 28 46.000 46.000 59.224 -13.224 17821 3382 1 11 . 1 1 28 28 CYS CB C 28 31.000 31.000 25.690 5.310 17821 3383 1 11 . 1 1 29 29 ALA N N 29 123.800 123.800 121.052 2.748 17821 3384 1 11 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.594 -0.444 17821 3385 1 11 . 1 1 29 29 ALA C C 29 173.200 173.200 175.099 -1.899 17821 3386 1 11 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.216 -1.516 17821 3387 1 11 . 1 1 29 29 ALA CB C 29 17.600 17.600 21.188 -3.588 17821 3388 1 11 . 1 1 29 29 ALA H H 29 8.050 8.050 7.535 0.515 17821 3389 1 11 . 1 1 30 30 SER N N 30 112.800 112.800 114.774 -1.974 17821 3390 1 11 . 1 1 30 30 SER HA H 30 4.580 4.580 4.982 -0.402 17821 3391 1 11 . 1 1 30 30 SER C C 30 173.300 173.300 173.939 -0.639 17821 3392 1 11 . 1 1 30 30 SER CA C 30 52.600 52.600 55.678 -3.078 17821 3393 1 11 . 1 1 30 30 SER CB C 30 59.400 59.400 62.812 -3.412 17821 3394 1 11 . 1 1 30 30 SER H H 30 8.270 8.270 8.736 -0.466 17821 3395 1 11 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.314 -0.154 17821 3396 1 11 . 1 1 31 31 PRO CA C 31 61.800 61.800 64.543 -2.743 17821 3397 1 11 . 1 1 31 31 PRO CB C 31 29.300 29.300 32.080 -2.780 17821 3398 1 11 . 1 1 32 32 GLU N N 32 119.100 119.100 118.032 1.068 17821 3399 1 11 . 1 1 32 32 GLU HA H 32 4.060 4.060 3.995 0.065 17821 3400 1 11 . 1 1 32 32 GLU C C 32 177.300 177.300 178.495 -1.195 17821 3401 1 11 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.332 -2.432 17821 3402 1 11 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.404 -2.404 17821 3403 1 11 . 1 1 32 32 GLU H H 32 8.720 8.720 8.708 0.012 17821 3404 1 11 . 1 1 33 33 THR N N 33 110.800 110.800 112.543 -1.743 17821 3405 1 11 . 1 1 33 33 THR HA H 33 4.040 4.040 4.089 -0.049 17821 3406 1 11 . 1 1 33 33 THR C C 33 176.000 176.000 176.402 -0.402 17821 3407 1 11 . 1 1 33 33 THR CA C 33 61.700 61.700 65.757 -4.057 17821 3408 1 11 . 1 1 33 33 THR CB C 33 64.100 64.100 68.785 -4.685 17821 3409 1 11 . 1 1 33 33 THR H H 33 7.620 7.620 8.185 -0.565 17821 3410 1 11 . 1 1 34 34 LYS N N 34 127.100 127.100 122.873 4.227 17821 3411 1 11 . 1 1 34 34 LYS HA H 34 2.920 2.920 3.410 -0.490 17821 3412 1 11 . 1 1 34 34 LYS C C 34 174.300 174.300 178.507 -4.207 17821 3413 1 11 . 1 1 34 34 LYS CA C 34 57.300 57.300 58.898 -1.598 17821 3414 1 11 . 1 1 34 34 LYS CB C 34 30.000 30.000 31.535 -1.535 17821 3415 1 11 . 1 1 34 34 LYS H H 34 7.740 7.740 7.971 -0.231 17821 3416 1 11 . 1 1 35 35 LYS N N 35 118.500 118.500 119.082 -0.582 17821 3417 1 11 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.248 -0.358 17821 3418 1 11 . 1 1 35 35 LYS C C 35 176.500 176.500 178.975 -2.475 17821 3419 1 11 . 1 1 35 35 LYS CA C 35 56.700 56.700 58.833 -2.133 17821 3420 1 11 . 1 1 35 35 LYS CB C 35 29.500 29.500 31.819 -2.319 17821 3421 1 11 . 1 1 35 35 LYS H H 35 7.880 7.880 8.311 -0.431 17821 3422 1 11 . 1 1 36 36 ALA N N 36 120.100 120.100 122.160 -2.060 17821 3423 1 11 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.151 -0.111 17821 3424 1 11 . 1 1 36 36 ALA C C 36 177.600 177.600 179.742 -2.142 17821 3425 1 11 . 1 1 36 36 ALA CA C 36 52.000 52.000 55.012 -3.012 17821 3426 1 11 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.294 -2.894 17821 3427 1 11 . 1 1 36 36 ALA H H 36 7.490 7.490 8.188 -0.698 17821 3428 1 11 . 1 1 37 37 ARG N N 37 118.500 118.500 118.978 -0.478 17821 3429 1 11 . 1 1 37 37 ARG HA H 37 3.620 3.620 4.070 -0.450 17821 3430 1 11 . 1 1 37 37 ARG C C 37 174.100 174.100 178.080 -3.980 17821 3431 1 11 . 1 1 37 37 ARG CA C 37 56.600 56.600 58.816 -2.216 17821 3432 1 11 . 1 1 37 37 ARG CB C 37 27.100 27.100 29.723 -2.623 17821 3433 1 11 . 1 1 37 37 ARG H H 37 7.630 7.630 8.085 -0.455 17821 3434 1 11 . 1 1 38 38 ASP N N 38 120.200 120.200 119.897 0.303 17821 3435 1 11 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.346 -0.076 17821 3436 1 11 . 1 1 38 38 ASP C C 38 175.500 175.500 178.379 -2.879 17821 3437 1 11 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.404 -2.704 17821 3438 1 11 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.383 -4.183 17821 3439 1 11 . 1 1 38 38 ASP H H 38 8.680 8.680 8.305 0.375 17821 3440 1 11 . 1 1 39 39 ALA N N 39 121.100 121.100 122.309 -1.209 17821 3441 1 11 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.068 -0.058 17821 3442 1 11 . 1 1 39 39 ALA C C 39 176.800 176.800 179.595 -2.795 17821 3443 1 11 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.349 -3.249 17821 3444 1 11 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.241 -3.041 17821 3445 1 11 . 1 1 39 39 ALA H H 39 8.040 8.040 8.127 -0.087 17821 3446 1 11 . 1 1 40 40 CYS N N 40 117.600 117.600 117.671 -0.071 17821 3447 1 11 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.215 -0.035 17821 3448 1 11 . 1 1 40 40 CYS C C 40 173.800 173.800 176.936 -3.136 17821 3449 1 11 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.997 -5.097 17821 3450 1 11 . 1 1 40 40 CYS CB C 40 36.400 36.400 25.977 10.423 17821 3451 1 11 . 1 1 40 40 CYS H H 40 7.340 7.340 8.140 -0.800 17821 3452 1 11 . 1 1 41 41 ILE N N 41 121.500 121.500 120.890 0.610 17821 3453 1 11 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.857 -0.807 17821 3454 1 11 . 1 1 41 41 ILE C C 41 176.100 176.100 178.263 -2.163 17821 3455 1 11 . 1 1 41 41 ILE CA C 41 63.400 63.400 63.953 -0.553 17821 3456 1 11 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.519 -2.219 17821 3457 1 11 . 1 1 41 41 ILE H H 41 8.230 8.230 8.153 0.077 17821 3458 1 11 . 1 1 42 42 ILE N N 42 119.200 119.200 120.541 -1.341 17821 3459 1 11 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.708 -0.018 17821 3460 1 11 . 1 1 42 42 ILE C C 42 174.200 174.200 178.142 -3.942 17821 3461 1 11 . 1 1 42 42 ILE CA C 42 61.300 61.300 64.367 -3.067 17821 3462 1 11 . 1 1 42 42 ILE CB C 42 35.800 35.800 36.666 -0.866 17821 3463 1 11 . 1 1 42 42 ILE H H 42 7.770 7.770 8.236 -0.466 17821 3464 1 11 . 1 1 43 43 GLU N N 43 118.700 118.700 118.757 -0.057 17821 3465 1 11 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.193 -0.143 17821 3466 1 11 . 1 1 43 43 GLU C C 43 175.300 175.300 178.044 -2.744 17821 3467 1 11 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.728 -2.428 17821 3468 1 11 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.341 -2.141 17821 3469 1 11 . 1 1 43 43 GLU H H 43 7.600 7.600 8.268 -0.668 17821 3470 1 11 . 1 1 44 44 LYS N N 44 114.600 114.600 115.705 -1.105 17821 3471 1 11 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.640 -0.190 17821 3472 1 11 . 1 1 44 44 LYS C C 44 174.500 174.500 176.534 -2.034 17821 3473 1 11 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.223 -2.423 17821 3474 1 11 . 1 1 44 44 LYS CB C 44 32.700 32.700 35.298 -2.598 17821 3475 1 11 . 1 1 44 44 LYS H H 44 8.860 8.860 8.251 0.609 17821 3476 1 11 . 1 1 45 45 GLY N N 45 108.700 108.700 108.786 -0.086 17821 3477 1 11 . 1 1 45 45 GLY C C 45 171.000 171.000 175.013 -4.013 17821 3478 1 11 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.355 -3.055 17821 3479 1 11 . 1 1 45 45 GLY H H 45 7.690 7.690 7.964 -0.274 17821 3480 1 11 . 1 1 46 46 GLU N N 46 120.800 120.800 121.747 -0.947 17821 3481 1 11 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.824 -0.384 17821 3482 1 11 . 1 1 46 46 GLU C C 46 175.800 175.800 178.028 -2.228 17821 3483 1 11 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.838 -1.538 17821 3484 1 11 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.671 -2.571 17821 3485 1 11 . 1 1 46 46 GLU H H 46 8.900 8.900 8.874 0.026 17821 3486 1 11 . 1 1 47 47 GLU N N 47 118.700 118.700 117.454 1.246 17821 3487 1 11 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.308 -0.368 17821 3488 1 11 . 1 1 47 47 GLU C C 47 174.300 174.300 176.988 -2.688 17821 3489 1 11 . 1 1 47 47 GLU CA C 47 55.900 55.900 57.632 -1.732 17821 3490 1 11 . 1 1 47 47 GLU CB C 47 25.500 25.500 28.470 -2.970 17821 3491 1 11 . 1 1 47 47 GLU H H 47 9.530 9.530 8.557 0.973 17821 3492 1 11 . 1 1 48 48 HIS N N 48 117.500 117.500 116.015 1.485 17821 3493 1 11 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.855 0.015 17821 3494 1 11 . 1 1 48 48 HIS C C 48 173.300 173.300 174.136 -0.836 17821 3495 1 11 . 1 1 48 48 HIS CA C 48 53.100 53.100 54.903 -1.803 17821 3496 1 11 . 1 1 48 48 HIS CB C 48 28.900 28.900 30.553 -1.653 17821 3497 1 11 . 1 1 48 48 HIS H H 48 7.500 7.500 7.948 -0.448 17821 3498 1 11 . 1 1 49 49 CYS N N 49 116.100 116.100 119.114 -3.014 17821 3499 1 11 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.898 0.152 17821 3500 1 11 . 1 1 49 49 CYS C C 49 173.700 173.700 175.499 -1.799 17821 3501 1 11 . 1 1 49 49 CYS CA C 49 51.700 51.700 58.153 -6.453 17821 3502 1 11 . 1 1 49 49 CYS CB C 49 39.500 39.500 27.622 11.877 17821 3503 1 11 . 1 1 49 49 CYS H H 49 7.460 7.460 7.540 -0.080 17821 3504 1 11 . 1 1 50 50 GLY N N 50 112.900 112.900 111.142 1.758 17821 3505 1 11 . 1 1 50 50 GLY C C 50 172.500 172.500 175.905 -3.405 17821 3506 1 11 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.508 -2.208 17821 3507 1 11 . 1 1 50 50 GLY H H 50 9.150 9.150 8.747 0.403 17821 3508 1 11 . 1 1 51 51 HIS C C 51 175.400 175.400 176.942 -1.542 17821 3509 1 11 . 1 1 51 51 HIS CA C 51 56.400 56.400 58.794 -2.394 17821 3510 1 11 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.990 -3.990 17821 3511 1 11 . 1 1 52 52 LEU N N 52 122.000 122.000 122.049 -0.049 17821 3512 1 11 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.203 -0.093 17821 3513 1 11 . 1 1 52 52 LEU C C 52 177.700 177.700 178.847 -1.147 17821 3514 1 11 . 1 1 52 52 LEU CA C 52 53.800 53.800 57.231 -3.431 17821 3515 1 11 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.276 -1.776 17821 3516 1 11 . 1 1 52 52 LEU H H 52 6.810 6.810 7.491 -0.681 17821 3517 1 11 . 1 1 53 53 ILE N N 53 124.200 124.200 121.060 3.140 17821 3518 1 11 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.647 -0.217 17821 3519 1 11 . 1 1 53 53 ILE C C 53 176.100 176.100 178.310 -2.210 17821 3520 1 11 . 1 1 53 53 ILE CA C 53 63.200 63.200 66.232 -3.032 17821 3521 1 11 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.960 -2.060 17821 3522 1 11 . 1 1 53 53 ILE H H 53 8.170 8.170 8.717 -0.547 17821 3523 1 11 . 1 1 54 54 GLU N N 54 120.600 120.600 119.999 0.601 17821 3524 1 11 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.896 0.134 17821 3525 1 11 . 1 1 54 54 GLU C C 54 175.400 175.400 178.756 -3.356 17821 3526 1 11 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.919 -3.818 17821 3527 1 11 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.615 -3.615 17821 3528 1 11 . 1 1 54 54 GLU H H 54 8.380 8.380 8.466 -0.086 17821 3529 1 11 . 1 1 55 55 ALA N N 55 120.800 120.800 122.160 -1.360 17821 3530 1 11 . 1 1 55 55 ALA HA H 55 4.120 4.120 4.087 0.033 17821 3531 1 11 . 1 1 55 55 ALA C C 55 177.900 177.900 179.235 -1.335 17821 3532 1 11 . 1 1 55 55 ALA CA C 55 52.200 52.200 54.963 -2.763 17821 3533 1 11 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.274 -3.174 17821 3534 1 11 . 1 1 55 55 ALA H H 55 7.880 7.880 8.043 -0.163 17821 3535 1 11 . 1 1 56 56 HIS N N 56 117.400 117.400 119.201 -1.801 17821 3536 1 11 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.262 0.038 17821 3537 1 11 . 1 1 56 56 HIS C C 56 173.500 173.500 177.347 -3.847 17821 3538 1 11 . 1 1 56 56 HIS CA C 56 57.000 57.000 59.552 -2.552 17821 3539 1 11 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.298 -1.998 17821 3540 1 11 . 1 1 56 56 HIS H H 56 7.640 7.640 8.552 -0.912 17821 3541 1 11 . 1 1 57 57 LYS N N 57 119.200 119.200 118.674 0.526 17821 3542 1 11 . 1 1 57 57 LYS HA H 57 3.600 3.600 3.775 -0.175 17821 3543 1 11 . 1 1 57 57 LYS C C 57 176.200 176.200 178.811 -2.611 17821 3544 1 11 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.390 -1.790 17821 3545 1 11 . 1 1 57 57 LYS CB C 57 29.500 29.500 31.950 -2.450 17821 3546 1 11 . 1 1 57 57 LYS H H 57 7.620 7.620 8.274 -0.654 17821 3547 1 11 . 1 1 58 58 GLU N N 58 118.400 118.400 120.798 -2.398 17821 3548 1 11 . 1 1 58 58 GLU HA H 58 3.970 3.970 3.934 0.036 17821 3549 1 11 . 1 1 58 58 GLU C C 58 176.200 176.200 178.942 -2.742 17821 3550 1 11 . 1 1 58 58 GLU CA C 58 56.200 56.200 59.295 -3.095 17821 3551 1 11 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.289 -2.989 17821 3552 1 11 . 1 1 58 58 GLU H H 58 8.490 8.490 8.232 0.258 17821 3553 1 11 . 1 1 59 59 SER N N 59 116.100 116.100 114.104 1.996 17821 3554 1 11 . 1 1 59 59 SER HA H 59 4.150 4.150 4.220 -0.070 17821 3555 1 11 . 1 1 59 59 SER CA C 59 58.400 58.400 61.313 -2.913 17821 3556 1 11 . 1 1 59 59 SER CB C 59 60.300 60.300 63.298 -2.998 17821 3557 1 11 . 1 1 59 59 SER H H 59 7.790 7.790 7.966 -0.176 17821 3558 1 11 . 1 1 60 60 MET N N 60 117.500 117.500 116.562 0.938 17821 3559 1 11 . 1 1 60 60 MET HA H 60 4.170 4.170 4.427 -0.257 17821 3560 1 11 . 1 1 60 60 MET C C 60 176.400 176.400 178.197 -1.797 17821 3561 1 11 . 1 1 60 60 MET CA C 60 54.400 54.400 55.504 -1.104 17821 3562 1 11 . 1 1 60 60 MET CB C 60 29.100 29.100 32.264 -3.164 17821 3563 1 11 . 1 1 60 60 MET H H 60 7.880 7.880 7.869 0.011 17821 3564 1 11 . 1 1 61 61 ARG N N 61 121.300 121.300 122.507 -1.207 17821 3565 1 11 . 1 1 61 61 ARG HA H 61 4.170 4.170 3.976 0.194 17821 3566 1 11 . 1 1 61 61 ARG C C 61 177.500 177.500 178.468 -0.968 17821 3567 1 11 . 1 1 61 61 ARG CA C 61 56.100 56.100 58.974 -2.874 17821 3568 1 11 . 1 1 61 61 ARG CB C 61 27.500 27.500 29.907 -2.407 17821 3569 1 11 . 1 1 61 61 ARG H H 61 8.290 8.290 8.413 -0.123 17821 3570 1 11 . 1 1 62 62 ALA N N 62 123.200 123.200 122.670 0.530 17821 3571 1 11 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.107 -0.037 17821 3572 1 11 . 1 1 62 62 ALA C C 62 176.400 176.400 178.251 -1.851 17821 3573 1 11 . 1 1 62 62 ALA CA C 62 51.500 51.500 54.256 -2.756 17821 3574 1 11 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.538 -3.438 17821 3575 1 11 . 1 1 62 62 ALA H H 62 7.950 7.950 7.995 -0.045 17821 3576 1 11 . 1 1 63 63 LEU N N 63 117.500 117.500 115.704 1.796 17821 3577 1 11 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.365 -0.165 17821 3578 1 11 . 1 1 63 63 LEU C C 63 174.400 174.400 177.672 -3.272 17821 3579 1 11 . 1 1 63 63 LEU CA C 63 52.900 52.900 53.759 -0.859 17821 3580 1 11 . 1 1 63 63 LEU CB C 63 39.800 39.800 41.355 -1.556 17821 3581 1 11 . 1 1 63 63 LEU H H 63 7.450 7.450 7.229 0.221 17821 3582 1 11 . 1 1 64 64 GLY N N 64 106.300 106.300 108.505 -2.205 17821 3583 1 11 . 1 1 64 64 GLY C C 64 171.400 171.400 175.249 -3.849 17821 3584 1 11 . 1 1 64 64 GLY CA C 64 42.100 42.100 46.497 -4.397 17821 3585 1 11 . 1 1 64 64 GLY H H 64 7.780 7.780 7.597 0.183 17821 3586 1 11 . 1 1 65 65 PHE N N 65 119.800 119.800 119.838 -0.038 17821 3587 1 11 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.863 -0.393 17821 3588 1 11 . 1 1 65 65 PHE C C 65 172.300 172.300 175.187 -2.887 17821 3589 1 11 . 1 1 65 65 PHE CA C 65 54.900 54.900 55.478 -0.578 17821 3590 1 11 . 1 1 65 65 PHE CB C 65 36.900 36.900 36.991 -0.091 17821 3591 1 11 . 1 1 65 65 PHE H H 65 7.840 7.840 7.002 0.838 17821 3592 1 11 . 1 1 66 66 LYS N N 66 124.000 124.000 121.363 2.637 17821 3593 1 11 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.529 -0.269 17821 3594 1 11 . 1 1 66 66 LYS C C 66 172.200 172.200 175.337 -3.137 17821 3595 1 11 . 1 1 66 66 LYS CA C 66 53.200 53.200 56.756 -3.556 17821 3596 1 11 . 1 1 66 66 LYS CB C 66 29.300 29.300 34.860 -5.560 17821 3597 1 11 . 1 1 66 66 LYS H H 66 8.370 8.370 8.145 0.225 17821 3598 1 12 . 1 1 4 4 THR N N 4 117.400 117.400 118.805 -1.405 17821 3599 1 12 . 1 1 4 4 THR HA H 4 4.130 4.130 4.374 -0.244 17821 3600 1 12 . 1 1 4 4 THR C C 4 170.800 170.800 172.693 -1.893 17821 3601 1 12 . 1 1 4 4 THR CA C 4 58.800 58.800 60.190 -1.390 17821 3602 1 12 . 1 1 4 4 THR CB C 4 67.000 67.000 70.675 -3.675 17821 3603 1 12 . 1 1 4 4 THR H H 4 7.980 7.980 7.416 0.564 17821 3604 1 12 . 1 1 5 5 MET N N 5 124.400 124.400 121.922 2.478 17821 3605 1 12 . 1 1 5 5 MET C C 5 171.200 171.200 174.269 -3.069 17821 3606 1 12 . 1 1 5 5 MET CA C 5 50.400 50.400 53.464 -3.064 17821 3607 1 12 . 1 1 5 5 MET CB C 5 29.600 29.600 33.364 -3.764 17821 3608 1 12 . 1 1 5 5 MET H H 5 8.250 8.250 8.292 -0.042 17821 3609 1 12 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.372 -0.092 17821 3610 1 12 . 1 1 6 6 PRO CA C 6 60.500 60.500 63.240 -2.740 17821 3611 1 12 . 1 1 6 6 PRO CB C 6 29.200 29.200 31.931 -2.732 17821 3612 1 12 . 1 1 7 7 GLY N N 7 109.000 109.000 109.089 -0.089 17821 3613 1 12 . 1 1 7 7 GLY C C 7 171.200 171.200 175.040 -3.840 17821 3614 1 12 . 1 1 7 7 GLY CA C 7 42.400 42.400 45.868 -3.468 17821 3615 1 12 . 1 1 7 7 GLY H H 7 8.360 8.360 8.578 -0.218 17821 3616 1 12 . 1 1 8 8 LEU N N 8 121.700 121.700 123.683 -1.983 17821 3617 1 12 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.346 -0.086 17821 3618 1 12 . 1 1 8 8 LEU C C 8 174.600 174.600 176.130 -1.530 17821 3619 1 12 . 1 1 8 8 LEU CA C 8 52.300 52.300 55.146 -2.846 17821 3620 1 12 . 1 1 8 8 LEU CB C 8 39.400 39.400 40.648 -1.248 17821 3621 1 12 . 1 1 8 8 LEU H H 8 7.920 7.920 7.701 0.219 17821 3622 1 12 . 1 1 9 9 VAL N N 9 120.900 120.900 116.709 4.191 17821 3623 1 12 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.283 -0.303 17821 3624 1 12 . 1 1 9 9 VAL C C 9 172.900 172.900 174.739 -1.839 17821 3625 1 12 . 1 1 9 9 VAL CA C 9 59.400 59.400 60.833 -1.433 17821 3626 1 12 . 1 1 9 9 VAL CB C 9 30.000 30.000 34.279 -4.279 17821 3627 1 12 . 1 1 9 9 VAL H H 9 8.050 8.050 7.679 0.371 17821 3628 1 12 . 1 1 10 10 ASP N N 10 124.300 124.300 126.913 -2.613 17821 3629 1 12 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.789 -0.319 17821 3630 1 12 . 1 1 10 10 ASP C C 10 173.100 173.100 175.662 -2.562 17821 3631 1 12 . 1 1 10 10 ASP CA C 10 51.500 51.500 54.699 -3.199 17821 3632 1 12 . 1 1 10 10 ASP CB C 10 38.300 38.300 41.155 -2.855 17821 3633 1 12 . 1 1 10 10 ASP H H 10 8.300 8.300 8.492 -0.192 17821 3634 1 12 . 1 1 11 11 SER N N 11 116.400 116.400 119.122 -2.722 17821 3635 1 12 . 1 1 11 11 SER HA H 11 4.290 4.290 4.597 -0.307 17821 3636 1 12 . 1 1 11 11 SER C C 11 171.200 171.200 173.150 -1.950 17821 3637 1 12 . 1 1 11 11 SER CA C 11 55.500 55.500 57.944 -2.444 17821 3638 1 12 . 1 1 11 11 SER CB C 11 60.900 60.900 63.852 -2.953 17821 3639 1 12 . 1 1 11 11 SER H H 11 8.130 8.130 8.490 -0.360 17821 3640 1 12 . 1 1 12 12 ASN N N 12 121.600 121.600 123.102 -1.502 17821 3641 1 12 . 1 1 12 12 ASN HA H 12 4.230 4.230 5.050 -0.820 17821 3642 1 12 . 1 1 12 12 ASN C C 12 170.000 170.000 173.020 -3.020 17821 3643 1 12 . 1 1 12 12 ASN CA C 12 56.500 56.500 51.679 4.821 17821 3644 1 12 . 1 1 12 12 ASN CB C 12 36.000 36.000 38.979 -2.979 17821 3645 1 12 . 1 1 12 12 ASN H H 12 8.360 8.360 8.668 -0.308 17821 3646 1 12 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.555 -0.265 17821 3647 1 12 . 1 1 13 13 PRO CA C 13 60.300 60.300 62.264 -1.964 17821 3648 1 12 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.356 -3.156 17821 3649 1 12 . 1 1 14 14 ALA N N 14 125.700 125.700 123.763 1.937 17821 3650 1 12 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.527 -0.117 17821 3651 1 12 . 1 1 14 14 ALA C C 14 172.200 172.200 176.720 -4.520 17821 3652 1 12 . 1 1 14 14 ALA CA C 14 47.500 47.500 50.504 -3.004 17821 3653 1 12 . 1 1 14 14 ALA CB C 14 15.100 15.100 18.944 -3.844 17821 3654 1 12 . 1 1 14 14 ALA H H 14 8.260 8.260 8.299 -0.039 17821 3655 1 12 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.679 -0.399 17821 3656 1 12 . 1 1 16 16 PRO CA C 16 60.500 60.500 62.785 -2.285 17821 3657 1 12 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.829 -3.629 17821 3658 1 12 . 1 1 17 17 GLU N N 17 120.600 120.600 119.234 1.366 17821 3659 1 12 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.472 -0.352 17821 3660 1 12 . 1 1 17 17 GLU C C 17 173.900 173.900 174.792 -0.892 17821 3661 1 12 . 1 1 17 17 GLU CA C 17 54.100 54.100 55.888 -1.788 17821 3662 1 12 . 1 1 17 17 GLU CB C 17 27.100 27.100 31.893 -4.793 17821 3663 1 12 . 1 1 17 17 GLU H H 17 8.550 8.550 8.404 0.146 17821 3664 1 12 . 1 1 18 18 SER N N 18 116.400 116.400 117.658 -1.258 17821 3665 1 12 . 1 1 18 18 SER HA H 18 4.310 4.310 4.675 -0.365 17821 3666 1 12 . 1 1 18 18 SER C C 18 171.900 171.900 174.265 -2.365 17821 3667 1 12 . 1 1 18 18 SER CA C 18 55.600 55.600 58.080 -2.480 17821 3668 1 12 . 1 1 18 18 SER CB C 18 60.800 60.800 63.794 -2.994 17821 3669 1 12 . 1 1 18 18 SER H H 18 8.240 8.240 8.482 -0.242 17821 3670 1 12 . 1 1 19 19 GLN N N 19 122.300 122.300 122.900 -0.600 17821 3671 1 12 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.145 0.055 17821 3672 1 12 . 1 1 19 19 GLN C C 19 173.100 173.100 175.059 -1.959 17821 3673 1 12 . 1 1 19 19 GLN CA C 19 53.000 53.000 56.664 -3.664 17821 3674 1 12 . 1 1 19 19 GLN CB C 19 26.500 26.500 28.372 -1.872 17821 3675 1 12 . 1 1 19 19 GLN H H 19 8.310 8.310 8.605 -0.295 17821 3676 1 12 . 1 1 20 20 GLU N N 20 121.600 121.600 121.134 0.466 17821 3677 1 12 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.213 0.077 17821 3678 1 12 . 1 1 20 20 GLU C C 20 173.500 173.500 175.819 -2.319 17821 3679 1 12 . 1 1 20 20 GLU CA C 20 53.900 53.900 57.258 -3.358 17821 3680 1 12 . 1 1 20 20 GLU CB C 20 27.400 27.400 30.393 -2.993 17821 3681 1 12 . 1 1 20 20 GLU H H 20 8.240 8.240 8.362 -0.122 17821 3682 1 12 . 1 1 21 21 LYS N N 21 122.900 122.900 124.650 -1.750 17821 3683 1 12 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.460 -0.280 17821 3684 1 12 . 1 1 21 21 LYS C C 21 173.400 173.400 176.030 -2.630 17821 3685 1 12 . 1 1 21 21 LYS CA C 21 53.300 53.300 55.583 -2.283 17821 3686 1 12 . 1 1 21 21 LYS CB C 21 29.800 29.800 34.288 -4.487 17821 3687 1 12 . 1 1 21 21 LYS H H 21 8.260 8.260 8.662 -0.402 17821 3688 1 12 . 1 1 22 22 LYS N N 22 124.000 124.000 122.955 1.045 17821 3689 1 12 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.451 -0.001 17821 3690 1 12 . 1 1 22 22 LYS C C 22 171.500 171.500 175.276 -3.776 17821 3691 1 12 . 1 1 22 22 LYS CA C 22 51.200 51.200 55.166 -3.966 17821 3692 1 12 . 1 1 22 22 LYS CB C 22 29.500 29.500 31.185 -1.685 17821 3693 1 12 . 1 1 22 22 LYS H H 22 8.220 8.220 8.477 -0.257 17821 3694 1 12 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.358 -0.068 17821 3695 1 12 . 1 1 23 23 PRO CA C 23 60.100 60.100 63.327 -3.227 17821 3696 1 12 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.265 -3.065 17821 3697 1 12 . 1 1 24 24 LEU N N 24 122.700 122.700 123.728 -1.028 17821 3698 1 12 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.543 -0.383 17821 3699 1 12 . 1 1 24 24 LEU C C 24 174.400 174.400 176.707 -2.307 17821 3700 1 12 . 1 1 24 24 LEU CA C 24 52.400 52.400 55.044 -2.643 17821 3701 1 12 . 1 1 24 24 LEU CB C 24 39.600 39.600 42.402 -2.802 17821 3702 1 12 . 1 1 24 24 LEU H H 24 8.270 8.270 8.531 -0.261 17821 3703 1 12 . 1 1 25 25 LYS N N 25 123.400 123.400 124.629 -1.229 17821 3704 1 12 . 1 1 25 25 LYS C C 25 171.600 171.600 174.949 -3.349 17821 3705 1 12 . 1 1 25 25 LYS CA C 25 50.900 50.900 53.935 -3.035 17821 3706 1 12 . 1 1 25 25 LYS CB C 25 29.800 29.800 32.870 -3.070 17821 3707 1 12 . 1 1 25 25 LYS H H 25 8.180 8.180 8.525 -0.345 17821 3708 1 12 . 1 1 28 28 CYS CA C 28 46.000 46.000 57.321 -11.321 17821 3709 1 12 . 1 1 28 28 CYS CB C 28 31.000 31.000 29.901 1.099 17821 3710 1 12 . 1 1 29 29 ALA N N 29 123.800 123.800 123.282 0.518 17821 3711 1 12 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.597 -0.447 17821 3712 1 12 . 1 1 29 29 ALA C C 29 173.200 173.200 176.895 -3.695 17821 3713 1 12 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.652 -1.952 17821 3714 1 12 . 1 1 29 29 ALA CB C 29 17.600 17.600 20.930 -3.330 17821 3715 1 12 . 1 1 29 29 ALA H H 29 8.050 8.050 8.193 -0.143 17821 3716 1 12 . 1 1 30 30 SER N N 30 112.800 112.800 116.102 -3.302 17821 3717 1 12 . 1 1 30 30 SER HA H 30 4.580 4.580 5.037 -0.457 17821 3718 1 12 . 1 1 30 30 SER C C 30 173.300 173.300 173.919 -0.619 17821 3719 1 12 . 1 1 30 30 SER CA C 30 52.600 52.600 55.642 -3.042 17821 3720 1 12 . 1 1 30 30 SER CB C 30 59.400 59.400 62.752 -3.352 17821 3721 1 12 . 1 1 30 30 SER H H 30 8.270 8.270 8.941 -0.671 17821 3722 1 12 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.255 -0.095 17821 3723 1 12 . 1 1 31 31 PRO CA C 31 61.800 61.800 65.001 -3.201 17821 3724 1 12 . 1 1 31 31 PRO CB C 31 29.300 29.300 32.137 -2.837 17821 3725 1 12 . 1 1 32 32 GLU N N 32 119.100 119.100 117.752 1.348 17821 3726 1 12 . 1 1 32 32 GLU HA H 32 4.060 4.060 4.176 -0.116 17821 3727 1 12 . 1 1 32 32 GLU C C 32 177.300 177.300 178.226 -0.926 17821 3728 1 12 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.526 -2.626 17821 3729 1 12 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.924 -2.924 17821 3730 1 12 . 1 1 32 32 GLU H H 32 8.720 8.720 8.953 -0.233 17821 3731 1 12 . 1 1 33 33 THR N N 33 110.800 110.800 112.924 -2.124 17821 3732 1 12 . 1 1 33 33 THR HA H 33 4.040 4.040 4.156 -0.116 17821 3733 1 12 . 1 1 33 33 THR C C 33 176.000 176.000 176.229 -0.229 17821 3734 1 12 . 1 1 33 33 THR CA C 33 61.700 61.700 65.773 -4.073 17821 3735 1 12 . 1 1 33 33 THR CB C 33 64.100 64.100 68.864 -4.764 17821 3736 1 12 . 1 1 33 33 THR H H 33 7.620 7.620 7.800 -0.180 17821 3737 1 12 . 1 1 34 34 LYS N N 34 127.100 127.100 122.153 4.947 17821 3738 1 12 . 1 1 34 34 LYS HA H 34 2.920 2.920 4.092 -1.172 17821 3739 1 12 . 1 1 34 34 LYS C C 34 174.300 174.300 178.470 -4.170 17821 3740 1 12 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.711 -2.411 17821 3741 1 12 . 1 1 34 34 LYS CB C 34 30.000 30.000 32.324 -2.324 17821 3742 1 12 . 1 1 34 34 LYS H H 34 7.740 7.740 7.973 -0.233 17821 3743 1 12 . 1 1 35 35 LYS N N 35 118.500 118.500 119.873 -1.373 17821 3744 1 12 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.148 -0.258 17821 3745 1 12 . 1 1 35 35 LYS C C 35 176.500 176.500 178.954 -2.454 17821 3746 1 12 . 1 1 35 35 LYS CA C 35 56.700 56.700 58.740 -2.040 17821 3747 1 12 . 1 1 35 35 LYS CB C 35 29.500 29.500 31.954 -2.454 17821 3748 1 12 . 1 1 35 35 LYS H H 35 7.880 7.880 8.251 -0.371 17821 3749 1 12 . 1 1 36 36 ALA N N 36 120.100 120.100 122.155 -2.055 17821 3750 1 12 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.146 -0.105 17821 3751 1 12 . 1 1 36 36 ALA C C 36 177.600 177.600 179.649 -2.049 17821 3752 1 12 . 1 1 36 36 ALA CA C 36 52.000 52.000 54.955 -2.955 17821 3753 1 12 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.371 -2.971 17821 3754 1 12 . 1 1 36 36 ALA H H 36 7.490 7.490 8.204 -0.714 17821 3755 1 12 . 1 1 37 37 ARG N N 37 118.500 118.500 119.279 -0.779 17821 3756 1 12 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.952 -0.332 17821 3757 1 12 . 1 1 37 37 ARG C C 37 174.100 174.100 178.008 -3.908 17821 3758 1 12 . 1 1 37 37 ARG CA C 37 56.600 56.600 59.850 -3.250 17821 3759 1 12 . 1 1 37 37 ARG CB C 37 27.100 27.100 30.198 -3.098 17821 3760 1 12 . 1 1 37 37 ARG H H 37 7.630 7.630 8.333 -0.703 17821 3761 1 12 . 1 1 38 38 ASP N N 38 120.200 120.200 119.095 1.105 17821 3762 1 12 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.360 -0.090 17821 3763 1 12 . 1 1 38 38 ASP C C 38 175.500 175.500 178.436 -2.936 17821 3764 1 12 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.447 -2.747 17821 3765 1 12 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.357 -4.157 17821 3766 1 12 . 1 1 38 38 ASP H H 38 8.680 8.680 8.187 0.493 17821 3767 1 12 . 1 1 39 39 ALA N N 39 121.100 121.100 122.379 -1.279 17821 3768 1 12 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.164 -0.154 17821 3769 1 12 . 1 1 39 39 ALA C C 39 176.800 176.800 179.627 -2.827 17821 3770 1 12 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.044 -2.944 17821 3771 1 12 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.269 -3.069 17821 3772 1 12 . 1 1 39 39 ALA H H 39 8.040 8.040 8.213 -0.173 17821 3773 1 12 . 1 1 40 40 CYS N N 40 117.600 117.600 118.603 -1.003 17821 3774 1 12 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.170 0.010 17821 3775 1 12 . 1 1 40 40 CYS C C 40 173.800 173.800 176.756 -2.956 17821 3776 1 12 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.675 -4.774 17821 3777 1 12 . 1 1 40 40 CYS CB C 40 36.400 36.400 25.872 10.528 17821 3778 1 12 . 1 1 40 40 CYS H H 40 7.340 7.340 7.983 -0.643 17821 3779 1 12 . 1 1 41 41 ILE N N 41 121.500 121.500 121.165 0.335 17821 3780 1 12 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.891 -0.841 17821 3781 1 12 . 1 1 41 41 ILE C C 41 176.100 176.100 178.304 -2.204 17821 3782 1 12 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.804 -1.404 17821 3783 1 12 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.645 -2.345 17821 3784 1 12 . 1 1 41 41 ILE H H 41 8.230 8.230 8.440 -0.210 17821 3785 1 12 . 1 1 42 42 ILE N N 42 119.200 119.200 119.423 -0.223 17821 3786 1 12 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.762 -0.072 17821 3787 1 12 . 1 1 42 42 ILE C C 42 174.200 174.200 177.789 -3.589 17821 3788 1 12 . 1 1 42 42 ILE CA C 42 61.300 61.300 63.931 -2.631 17821 3789 1 12 . 1 1 42 42 ILE CB C 42 35.800 35.800 36.777 -0.977 17821 3790 1 12 . 1 1 42 42 ILE H H 42 7.770 7.770 7.966 -0.196 17821 3791 1 12 . 1 1 43 43 GLU N N 43 118.700 118.700 119.684 -0.984 17821 3792 1 12 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.121 -0.071 17821 3793 1 12 . 1 1 43 43 GLU C C 43 175.300 175.300 177.957 -2.657 17821 3794 1 12 . 1 1 43 43 GLU CA C 43 56.300 56.300 59.093 -2.792 17821 3795 1 12 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.317 -2.117 17821 3796 1 12 . 1 1 43 43 GLU H H 43 7.600 7.600 7.922 -0.322 17821 3797 1 12 . 1 1 44 44 LYS N N 44 114.600 114.600 114.359 0.241 17821 3798 1 12 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.572 -0.122 17821 3799 1 12 . 1 1 44 44 LYS C C 44 174.500 174.500 176.535 -2.035 17821 3800 1 12 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.249 -2.449 17821 3801 1 12 . 1 1 44 44 LYS CB C 44 32.700 32.700 35.833 -3.133 17821 3802 1 12 . 1 1 44 44 LYS H H 44 8.860 8.860 8.427 0.433 17821 3803 1 12 . 1 1 45 45 GLY N N 45 108.700 108.700 108.506 0.194 17821 3804 1 12 . 1 1 45 45 GLY C C 45 171.000 171.000 173.789 -2.789 17821 3805 1 12 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.689 -3.389 17821 3806 1 12 . 1 1 45 45 GLY H H 45 7.690 7.690 7.759 -0.069 17821 3807 1 12 . 1 1 46 46 GLU N N 46 120.800 120.800 121.536 -0.736 17821 3808 1 12 . 1 1 46 46 GLU HA H 46 3.440 3.440 4.272 -0.832 17821 3809 1 12 . 1 1 46 46 GLU C C 46 175.800 175.800 176.420 -0.620 17821 3810 1 12 . 1 1 46 46 GLU CA C 46 58.300 58.300 57.730 0.570 17821 3811 1 12 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.987 -2.887 17821 3812 1 12 . 1 1 46 46 GLU H H 46 8.900 8.900 8.694 0.206 17821 3813 1 12 . 1 1 47 47 GLU N N 47 118.700 118.700 116.557 2.143 17821 3814 1 12 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.310 -0.370 17821 3815 1 12 . 1 1 47 47 GLU C C 47 174.300 174.300 176.877 -2.577 17821 3816 1 12 . 1 1 47 47 GLU CA C 47 55.900 55.900 55.678 0.222 17821 3817 1 12 . 1 1 47 47 GLU CB C 47 25.500 25.500 30.224 -4.724 17821 3818 1 12 . 1 1 47 47 GLU H H 47 9.530 9.530 7.885 1.645 17821 3819 1 12 . 1 1 48 48 HIS N N 48 117.500 117.500 114.794 2.706 17821 3820 1 12 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.224 0.646 17821 3821 1 12 . 1 1 48 48 HIS C C 48 173.300 173.300 175.008 -1.708 17821 3822 1 12 . 1 1 48 48 HIS CA C 48 53.100 53.100 58.145 -5.045 17821 3823 1 12 . 1 1 48 48 HIS CB C 48 28.900 28.900 27.928 0.972 17821 3824 1 12 . 1 1 48 48 HIS H H 48 7.500 7.500 8.685 -1.185 17821 3825 1 12 . 1 1 49 49 CYS N N 49 116.100 116.100 119.768 -3.668 17821 3826 1 12 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.680 0.370 17821 3827 1 12 . 1 1 49 49 CYS C C 49 173.700 173.700 176.279 -2.579 17821 3828 1 12 . 1 1 49 49 CYS CA C 49 51.700 51.700 58.488 -6.788 17821 3829 1 12 . 1 1 49 49 CYS CB C 49 39.500 39.500 25.972 13.528 17821 3830 1 12 . 1 1 49 49 CYS H H 49 7.460 7.460 8.004 -0.544 17821 3831 1 12 . 1 1 50 50 GLY N N 50 112.900 112.900 108.949 3.951 17821 3832 1 12 . 1 1 50 50 GLY C C 50 172.500 172.500 175.720 -3.220 17821 3833 1 12 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.348 -2.048 17821 3834 1 12 . 1 1 50 50 GLY H H 50 9.150 9.150 8.747 0.403 17821 3835 1 12 . 1 1 51 51 HIS C C 51 175.400 175.400 177.282 -1.882 17821 3836 1 12 . 1 1 51 51 HIS CA C 51 56.400 56.400 58.552 -2.152 17821 3837 1 12 . 1 1 51 51 HIS CB C 51 26.000 26.000 30.031 -4.031 17821 3838 1 12 . 1 1 52 52 LEU N N 52 122.000 122.000 121.766 0.234 17821 3839 1 12 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.212 -0.102 17821 3840 1 12 . 1 1 52 52 LEU C C 52 177.700 177.700 178.369 -0.669 17821 3841 1 12 . 1 1 52 52 LEU CA C 52 53.800 53.800 56.992 -3.192 17821 3842 1 12 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.273 -1.774 17821 3843 1 12 . 1 1 52 52 LEU H H 52 6.810 6.810 7.906 -1.096 17821 3844 1 12 . 1 1 53 53 ILE N N 53 124.200 124.200 120.875 3.325 17821 3845 1 12 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.648 -0.218 17821 3846 1 12 . 1 1 53 53 ILE C C 53 176.100 176.100 178.150 -2.050 17821 3847 1 12 . 1 1 53 53 ILE CA C 53 63.200 63.200 66.091 -2.891 17821 3848 1 12 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.840 -1.940 17821 3849 1 12 . 1 1 53 53 ILE H H 53 8.170 8.170 8.546 -0.376 17821 3850 1 12 . 1 1 54 54 GLU N N 54 120.600 120.600 120.461 0.139 17821 3851 1 12 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.942 0.088 17821 3852 1 12 . 1 1 54 54 GLU C C 54 175.400 175.400 178.646 -3.246 17821 3853 1 12 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.965 -3.865 17821 3854 1 12 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.592 -3.592 17821 3855 1 12 . 1 1 54 54 GLU H H 54 8.380 8.380 8.154 0.226 17821 3856 1 12 . 1 1 55 55 ALA N N 55 120.800 120.800 121.836 -1.036 17821 3857 1 12 . 1 1 55 55 ALA HA H 55 4.120 4.120 4.028 0.092 17821 3858 1 12 . 1 1 55 55 ALA C C 55 177.900 177.900 179.100 -1.200 17821 3859 1 12 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.285 -3.085 17821 3860 1 12 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.182 -3.082 17821 3861 1 12 . 1 1 55 55 ALA H H 55 7.880 7.880 8.003 -0.123 17821 3862 1 12 . 1 1 56 56 HIS N N 56 117.400 117.400 119.456 -2.056 17821 3863 1 12 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.326 -0.026 17821 3864 1 12 . 1 1 56 56 HIS C C 56 173.500 173.500 177.423 -3.923 17821 3865 1 12 . 1 1 56 56 HIS CA C 56 57.000 57.000 59.868 -2.868 17821 3866 1 12 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.469 -2.169 17821 3867 1 12 . 1 1 56 56 HIS H H 56 7.640 7.640 8.564 -0.924 17821 3868 1 12 . 1 1 57 57 LYS N N 57 119.200 119.200 119.319 -0.119 17821 3869 1 12 . 1 1 57 57 LYS HA H 57 3.600 3.600 3.910 -0.310 17821 3870 1 12 . 1 1 57 57 LYS C C 57 176.200 176.200 178.892 -2.692 17821 3871 1 12 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.839 -2.239 17821 3872 1 12 . 1 1 57 57 LYS CB C 57 29.500 29.500 32.117 -2.617 17821 3873 1 12 . 1 1 57 57 LYS H H 57 7.620 7.620 8.521 -0.901 17821 3874 1 12 . 1 1 58 58 GLU N N 58 118.400 118.400 120.035 -1.635 17821 3875 1 12 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.041 -0.071 17821 3876 1 12 . 1 1 58 58 GLU C C 58 176.200 176.200 179.101 -2.901 17821 3877 1 12 . 1 1 58 58 GLU CA C 58 56.200 56.200 58.951 -2.751 17821 3878 1 12 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.386 -3.086 17821 3879 1 12 . 1 1 58 58 GLU H H 58 8.490 8.490 8.286 0.204 17821 3880 1 12 . 1 1 59 59 SER N N 59 116.100 116.100 116.307 -0.207 17821 3881 1 12 . 1 1 59 59 SER HA H 59 4.150 4.150 4.095 0.055 17821 3882 1 12 . 1 1 59 59 SER CA C 59 58.400 58.400 61.901 -3.501 17821 3883 1 12 . 1 1 59 59 SER CB C 59 60.300 60.300 63.083 -2.783 17821 3884 1 12 . 1 1 59 59 SER H H 59 7.790 7.790 8.181 -0.391 17821 3885 1 12 . 1 1 60 60 MET N N 60 117.500 117.500 118.219 -0.719 17821 3886 1 12 . 1 1 60 60 MET HA H 60 4.170 4.170 3.970 0.200 17821 3887 1 12 . 1 1 60 60 MET C C 60 176.400 176.400 177.757 -1.357 17821 3888 1 12 . 1 1 60 60 MET CA C 60 54.400 54.400 55.323 -0.923 17821 3889 1 12 . 1 1 60 60 MET CB C 60 29.100 29.100 31.181 -2.081 17821 3890 1 12 . 1 1 60 60 MET H H 60 7.880 7.880 8.133 -0.253 17821 3891 1 12 . 1 1 61 61 ARG N N 61 121.300 121.300 121.188 0.112 17821 3892 1 12 . 1 1 61 61 ARG HA H 61 4.170 4.170 3.984 0.186 17821 3893 1 12 . 1 1 61 61 ARG C C 61 177.500 177.500 178.218 -0.718 17821 3894 1 12 . 1 1 61 61 ARG CA C 61 56.100 56.100 59.035 -2.934 17821 3895 1 12 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.162 -2.662 17821 3896 1 12 . 1 1 61 61 ARG H H 61 8.290 8.290 8.279 0.011 17821 3897 1 12 . 1 1 62 62 ALA N N 62 123.200 123.200 121.648 1.552 17821 3898 1 12 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.117 -0.047 17821 3899 1 12 . 1 1 62 62 ALA C C 62 176.400 176.400 178.850 -2.450 17821 3900 1 12 . 1 1 62 62 ALA CA C 62 51.500 51.500 53.941 -2.442 17821 3901 1 12 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.432 -3.332 17821 3902 1 12 . 1 1 62 62 ALA H H 62 7.950 7.950 7.737 0.213 17821 3903 1 12 . 1 1 63 63 LEU N N 63 117.500 117.500 116.800 0.700 17821 3904 1 12 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.297 -0.097 17821 3905 1 12 . 1 1 63 63 LEU C C 63 174.400 174.400 178.079 -3.679 17821 3906 1 12 . 1 1 63 63 LEU CA C 63 52.900 52.900 54.677 -1.777 17821 3907 1 12 . 1 1 63 63 LEU CB C 63 39.800 39.800 41.937 -2.137 17821 3908 1 12 . 1 1 63 63 LEU H H 63 7.450 7.450 7.189 0.261 17821 3909 1 12 . 1 1 64 64 GLY N N 64 106.300 106.300 107.748 -1.448 17821 3910 1 12 . 1 1 64 64 GLY C C 64 171.400 171.400 174.421 -3.021 17821 3911 1 12 . 1 1 64 64 GLY CA C 64 42.100 42.100 45.578 -3.478 17821 3912 1 12 . 1 1 64 64 GLY H H 64 7.780 7.780 7.849 -0.069 17821 3913 1 12 . 1 1 65 65 PHE N N 65 119.800 119.800 115.288 4.512 17821 3914 1 12 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.945 -0.475 17821 3915 1 12 . 1 1 65 65 PHE C C 65 172.300 172.300 174.647 -2.347 17821 3916 1 12 . 1 1 65 65 PHE CA C 65 54.900 54.900 55.703 -0.803 17821 3917 1 12 . 1 1 65 65 PHE CB C 65 36.900 36.900 38.338 -1.438 17821 3918 1 12 . 1 1 65 65 PHE H H 65 7.840 7.840 7.324 0.516 17821 3919 1 12 . 1 1 66 66 LYS N N 66 124.000 124.000 122.255 1.745 17821 3920 1 12 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.490 -0.230 17821 3921 1 12 . 1 1 66 66 LYS C C 66 172.200 172.200 175.329 -3.129 17821 3922 1 12 . 1 1 66 66 LYS CA C 66 53.200 53.200 56.618 -3.418 17821 3923 1 12 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.782 -4.482 17821 3924 1 12 . 1 1 66 66 LYS H H 66 8.370 8.370 8.028 0.342 17821 3925 1 13 . 1 1 4 4 THR N N 4 117.400 117.400 117.184 0.216 17821 3926 1 13 . 1 1 4 4 THR HA H 4 4.130 4.130 4.080 0.050 17821 3927 1 13 . 1 1 4 4 THR C C 4 170.800 170.800 173.327 -2.527 17821 3928 1 13 . 1 1 4 4 THR CA C 4 58.800 58.800 60.754 -1.954 17821 3929 1 13 . 1 1 4 4 THR CB C 4 67.000 67.000 69.889 -2.889 17821 3930 1 13 . 1 1 4 4 THR H H 4 7.980 7.980 8.054 -0.074 17821 3931 1 13 . 1 1 5 5 MET N N 5 124.400 124.400 125.038 -0.638 17821 3932 1 13 . 1 1 5 5 MET C C 5 171.200 171.200 174.221 -3.021 17821 3933 1 13 . 1 1 5 5 MET CA C 5 50.400 50.400 51.547 -1.147 17821 3934 1 13 . 1 1 5 5 MET CB C 5 29.600 29.600 32.780 -3.180 17821 3935 1 13 . 1 1 5 5 MET H H 5 8.250 8.250 8.078 0.172 17821 3936 1 13 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.691 -0.411 17821 3937 1 13 . 1 1 6 6 PRO CA C 6 60.500 60.500 62.435 -1.935 17821 3938 1 13 . 1 1 6 6 PRO CB C 6 29.200 29.200 32.605 -3.405 17821 3939 1 13 . 1 1 7 7 GLY N N 7 109.000 109.000 110.118 -1.118 17821 3940 1 13 . 1 1 7 7 GLY C C 7 171.200 171.200 175.129 -3.929 17821 3941 1 13 . 1 1 7 7 GLY CA C 7 42.400 42.400 45.329 -2.929 17821 3942 1 13 . 1 1 7 7 GLY H H 7 8.360 8.360 8.690 -0.330 17821 3943 1 13 . 1 1 8 8 LEU N N 8 121.700 121.700 118.716 2.984 17821 3944 1 13 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.558 -0.298 17821 3945 1 13 . 1 1 8 8 LEU C C 8 174.600 174.600 175.691 -1.091 17821 3946 1 13 . 1 1 8 8 LEU CA C 8 52.300 52.300 55.051 -2.751 17821 3947 1 13 . 1 1 8 8 LEU CB C 8 39.400 39.400 40.992 -1.592 17821 3948 1 13 . 1 1 8 8 LEU H H 8 7.920 7.920 8.132 -0.212 17821 3949 1 13 . 1 1 9 9 VAL N N 9 120.900 120.900 120.977 -0.077 17821 3950 1 13 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.219 -0.239 17821 3951 1 13 . 1 1 9 9 VAL C C 9 172.900 172.900 175.111 -2.211 17821 3952 1 13 . 1 1 9 9 VAL CA C 9 59.400 59.400 62.044 -2.644 17821 3953 1 13 . 1 1 9 9 VAL CB C 9 30.000 30.000 35.041 -5.041 17821 3954 1 13 . 1 1 9 9 VAL H H 9 8.050 8.050 7.487 0.562 17821 3955 1 13 . 1 1 10 10 ASP N N 10 124.300 124.300 128.131 -3.831 17821 3956 1 13 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.710 -0.240 17821 3957 1 13 . 1 1 10 10 ASP C C 10 173.100 173.100 175.923 -2.823 17821 3958 1 13 . 1 1 10 10 ASP CA C 10 51.500 51.500 55.611 -4.111 17821 3959 1 13 . 1 1 10 10 ASP CB C 10 38.300 38.300 40.902 -2.602 17821 3960 1 13 . 1 1 10 10 ASP H H 10 8.300 8.300 8.718 -0.418 17821 3961 1 13 . 1 1 11 11 SER N N 11 116.400 116.400 118.607 -2.207 17821 3962 1 13 . 1 1 11 11 SER HA H 11 4.290 4.290 4.544 -0.254 17821 3963 1 13 . 1 1 11 11 SER C C 11 171.200 171.200 173.944 -2.744 17821 3964 1 13 . 1 1 11 11 SER CA C 11 55.500 55.500 58.360 -2.860 17821 3965 1 13 . 1 1 11 11 SER CB C 11 60.900 60.900 63.789 -2.889 17821 3966 1 13 . 1 1 11 11 SER H H 11 8.130 8.130 8.563 -0.433 17821 3967 1 13 . 1 1 12 12 ASN N N 12 121.600 121.600 119.516 2.084 17821 3968 1 13 . 1 1 12 12 ASN HA H 12 4.230 4.230 4.953 -0.723 17821 3969 1 13 . 1 1 12 12 ASN C C 12 170.000 170.000 172.807 -2.807 17821 3970 1 13 . 1 1 12 12 ASN CA C 12 56.500 56.500 51.559 4.941 17821 3971 1 13 . 1 1 12 12 ASN CB C 12 36.000 36.000 39.637 -3.637 17821 3972 1 13 . 1 1 12 12 ASN H H 12 8.360 8.360 7.704 0.656 17821 3973 1 13 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.607 -0.317 17821 3974 1 13 . 1 1 13 13 PRO CA C 13 60.300 60.300 62.426 -2.126 17821 3975 1 13 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.305 -3.105 17821 3976 1 13 . 1 1 14 14 ALA N N 14 125.700 125.700 122.943 2.757 17821 3977 1 13 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.404 0.006 17821 3978 1 13 . 1 1 14 14 ALA C C 14 172.200 172.200 176.328 -4.128 17821 3979 1 13 . 1 1 14 14 ALA CA C 14 47.500 47.500 51.361 -3.861 17821 3980 1 13 . 1 1 14 14 ALA CB C 14 15.100 15.100 17.915 -2.815 17821 3981 1 13 . 1 1 14 14 ALA H H 14 8.260 8.260 8.166 0.094 17821 3982 1 13 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.688 -0.408 17821 3983 1 13 . 1 1 16 16 PRO CA C 16 60.500 60.500 62.754 -2.254 17821 3984 1 13 . 1 1 16 16 PRO CB C 16 29.200 29.200 33.442 -4.242 17821 3985 1 13 . 1 1 17 17 GLU N N 17 120.600 120.600 118.969 1.631 17821 3986 1 13 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.354 -0.234 17821 3987 1 13 . 1 1 17 17 GLU C C 17 173.900 173.900 176.585 -2.685 17821 3988 1 13 . 1 1 17 17 GLU CA C 17 54.100 54.100 56.559 -2.459 17821 3989 1 13 . 1 1 17 17 GLU CB C 17 27.100 27.100 29.984 -2.884 17821 3990 1 13 . 1 1 17 17 GLU H H 17 8.550 8.550 8.632 -0.082 17821 3991 1 13 . 1 1 18 18 SER N N 18 116.400 116.400 118.122 -1.722 17821 3992 1 13 . 1 1 18 18 SER HA H 18 4.310 4.310 4.521 -0.211 17821 3993 1 13 . 1 1 18 18 SER C C 18 171.900 171.900 173.823 -1.923 17821 3994 1 13 . 1 1 18 18 SER CA C 18 55.600 55.600 58.261 -2.661 17821 3995 1 13 . 1 1 18 18 SER CB C 18 60.800 60.800 63.431 -2.631 17821 3996 1 13 . 1 1 18 18 SER H H 18 8.240 8.240 8.116 0.124 17821 3997 1 13 . 1 1 19 19 GLN N N 19 122.300 122.300 123.956 -1.656 17821 3998 1 13 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.548 -0.348 17821 3999 1 13 . 1 1 19 19 GLN C C 19 173.100 173.100 174.783 -1.683 17821 4000 1 13 . 1 1 19 19 GLN CA C 19 53.000 53.000 55.722 -2.722 17821 4001 1 13 . 1 1 19 19 GLN CB C 19 26.500 26.500 30.689 -4.189 17821 4002 1 13 . 1 1 19 19 GLN H H 19 8.310 8.310 8.607 -0.297 17821 4003 1 13 . 1 1 20 20 GLU N N 20 121.600 121.600 122.970 -1.370 17821 4004 1 13 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.369 -0.079 17821 4005 1 13 . 1 1 20 20 GLU C C 20 173.500 173.500 174.726 -1.226 17821 4006 1 13 . 1 1 20 20 GLU CA C 20 53.900 53.900 56.614 -2.714 17821 4007 1 13 . 1 1 20 20 GLU CB C 20 27.400 27.400 30.417 -3.017 17821 4008 1 13 . 1 1 20 20 GLU H H 20 8.240 8.240 8.663 -0.423 17821 4009 1 13 . 1 1 21 21 LYS N N 21 122.900 122.900 123.269 -0.369 17821 4010 1 13 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.329 -0.149 17821 4011 1 13 . 1 1 21 21 LYS C C 21 173.400 173.400 176.035 -2.635 17821 4012 1 13 . 1 1 21 21 LYS CA C 21 53.300 53.300 56.680 -3.380 17821 4013 1 13 . 1 1 21 21 LYS CB C 21 29.800 29.800 32.872 -3.072 17821 4014 1 13 . 1 1 21 21 LYS H H 21 8.260 8.260 8.114 0.146 17821 4015 1 13 . 1 1 22 22 LYS N N 22 124.000 124.000 125.018 -1.018 17821 4016 1 13 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.759 -0.309 17821 4017 1 13 . 1 1 22 22 LYS C C 22 171.500 171.500 174.425 -2.925 17821 4018 1 13 . 1 1 22 22 LYS CA C 22 51.200 51.200 53.504 -2.304 17821 4019 1 13 . 1 1 22 22 LYS CB C 22 29.500 29.500 32.873 -3.373 17821 4020 1 13 . 1 1 22 22 LYS H H 22 8.220 8.220 8.354 -0.134 17821 4021 1 13 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.509 -0.219 17821 4022 1 13 . 1 1 23 23 PRO CA C 23 60.100 60.100 62.900 -2.800 17821 4023 1 13 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.132 -2.932 17821 4024 1 13 . 1 1 24 24 LEU N N 24 122.700 122.700 125.196 -2.496 17821 4025 1 13 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.307 -0.147 17821 4026 1 13 . 1 1 24 24 LEU C C 24 174.400 174.400 176.601 -2.201 17821 4027 1 13 . 1 1 24 24 LEU CA C 24 52.400 52.400 55.772 -3.372 17821 4028 1 13 . 1 1 24 24 LEU CB C 24 39.600 39.600 42.745 -3.146 17821 4029 1 13 . 1 1 24 24 LEU H H 24 8.270 8.270 8.250 0.020 17821 4030 1 13 . 1 1 25 25 LYS N N 25 123.400 123.400 126.261 -2.861 17821 4031 1 13 . 1 1 25 25 LYS C C 25 171.600 171.600 174.812 -3.212 17821 4032 1 13 . 1 1 25 25 LYS CA C 25 50.900 50.900 54.745 -3.845 17821 4033 1 13 . 1 1 25 25 LYS CB C 25 29.800 29.800 33.439 -3.639 17821 4034 1 13 . 1 1 25 25 LYS H H 25 8.180 8.180 8.570 -0.390 17821 4035 1 13 . 1 1 28 28 CYS CA C 28 46.000 46.000 59.078 -13.078 17821 4036 1 13 . 1 1 28 28 CYS CB C 28 31.000 31.000 27.559 3.441 17821 4037 1 13 . 1 1 29 29 ALA N N 29 123.800 123.800 122.641 1.159 17821 4038 1 13 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.561 -0.411 17821 4039 1 13 . 1 1 29 29 ALA C C 29 173.200 173.200 175.379 -2.179 17821 4040 1 13 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.823 -2.123 17821 4041 1 13 . 1 1 29 29 ALA CB C 29 17.600 17.600 20.432 -2.832 17821 4042 1 13 . 1 1 29 29 ALA H H 29 8.050 8.050 7.551 0.499 17821 4043 1 13 . 1 1 30 30 SER N N 30 112.800 112.800 115.080 -2.280 17821 4044 1 13 . 1 1 30 30 SER HA H 30 4.580 4.580 5.081 -0.501 17821 4045 1 13 . 1 1 30 30 SER C C 30 173.300 173.300 173.355 -0.055 17821 4046 1 13 . 1 1 30 30 SER CA C 30 52.600 52.600 55.298 -2.699 17821 4047 1 13 . 1 1 30 30 SER CB C 30 59.400 59.400 63.600 -4.200 17821 4048 1 13 . 1 1 30 30 SER H H 30 8.270 8.270 8.781 -0.511 17821 4049 1 13 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.395 -0.235 17821 4050 1 13 . 1 1 31 31 PRO CA C 31 61.800 61.800 64.733 -2.933 17821 4051 1 13 . 1 1 31 31 PRO CB C 31 29.300 29.300 31.928 -2.628 17821 4052 1 13 . 1 1 32 32 GLU N N 32 119.100 119.100 117.515 1.585 17821 4053 1 13 . 1 1 32 32 GLU HA H 32 4.060 4.060 4.062 -0.002 17821 4054 1 13 . 1 1 32 32 GLU C C 32 177.300 177.300 178.578 -1.278 17821 4055 1 13 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.502 -2.602 17821 4056 1 13 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.559 -2.559 17821 4057 1 13 . 1 1 32 32 GLU H H 32 8.720 8.720 9.074 -0.354 17821 4058 1 13 . 1 1 33 33 THR N N 33 110.800 110.800 112.327 -1.527 17821 4059 1 13 . 1 1 33 33 THR HA H 33 4.040 4.040 4.184 -0.144 17821 4060 1 13 . 1 1 33 33 THR C C 33 176.000 176.000 176.416 -0.416 17821 4061 1 13 . 1 1 33 33 THR CA C 33 61.700 61.700 65.794 -4.094 17821 4062 1 13 . 1 1 33 33 THR CB C 33 64.100 64.100 69.099 -4.999 17821 4063 1 13 . 1 1 33 33 THR H H 33 7.620 7.620 7.722 -0.102 17821 4064 1 13 . 1 1 34 34 LYS N N 34 127.100 127.100 120.989 6.111 17821 4065 1 13 . 1 1 34 34 LYS HA H 34 2.920 2.920 3.929 -1.009 17821 4066 1 13 . 1 1 34 34 LYS C C 34 174.300 174.300 178.626 -4.326 17821 4067 1 13 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.068 -1.768 17821 4068 1 13 . 1 1 34 34 LYS CB C 34 30.000 30.000 31.698 -1.698 17821 4069 1 13 . 1 1 34 34 LYS H H 34 7.740 7.740 8.093 -0.353 17821 4070 1 13 . 1 1 35 35 LYS N N 35 118.500 118.500 120.420 -1.920 17821 4071 1 13 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.031 -0.141 17821 4072 1 13 . 1 1 35 35 LYS C C 35 176.500 176.500 178.817 -2.317 17821 4073 1 13 . 1 1 35 35 LYS CA C 35 56.700 56.700 58.672 -1.972 17821 4074 1 13 . 1 1 35 35 LYS CB C 35 29.500 29.500 31.782 -2.282 17821 4075 1 13 . 1 1 35 35 LYS H H 35 7.880 7.880 8.209 -0.329 17821 4076 1 13 . 1 1 36 36 ALA N N 36 120.100 120.100 121.756 -1.656 17821 4077 1 13 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.120 -0.080 17821 4078 1 13 . 1 1 36 36 ALA C C 36 177.600 177.600 179.691 -2.091 17821 4079 1 13 . 1 1 36 36 ALA CA C 36 52.000 52.000 54.924 -2.924 17821 4080 1 13 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.341 -2.941 17821 4081 1 13 . 1 1 36 36 ALA H H 36 7.490 7.490 7.954 -0.464 17821 4082 1 13 . 1 1 37 37 ARG N N 37 118.500 118.500 119.069 -0.569 17821 4083 1 13 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.893 -0.273 17821 4084 1 13 . 1 1 37 37 ARG C C 37 174.100 174.100 177.737 -3.637 17821 4085 1 13 . 1 1 37 37 ARG CA C 37 56.600 56.600 60.007 -3.407 17821 4086 1 13 . 1 1 37 37 ARG CB C 37 27.100 27.100 30.132 -3.032 17821 4087 1 13 . 1 1 37 37 ARG H H 37 7.630 7.630 8.471 -0.841 17821 4088 1 13 . 1 1 38 38 ASP N N 38 120.200 120.200 119.140 1.060 17821 4089 1 13 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.304 -0.034 17821 4090 1 13 . 1 1 38 38 ASP C C 38 175.500 175.500 178.295 -2.795 17821 4091 1 13 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.565 -2.865 17821 4092 1 13 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.626 -4.426 17821 4093 1 13 . 1 1 38 38 ASP H H 38 8.680 8.680 8.122 0.558 17821 4094 1 13 . 1 1 39 39 ALA N N 39 121.100 121.100 121.009 0.091 17821 4095 1 13 . 1 1 39 39 ALA HA H 39 4.010 4.010 3.920 0.090 17821 4096 1 13 . 1 1 39 39 ALA C C 39 176.800 176.800 178.845 -2.045 17821 4097 1 13 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.776 -3.676 17821 4098 1 13 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.367 -3.167 17821 4099 1 13 . 1 1 39 39 ALA H H 39 8.040 8.040 7.997 0.043 17821 4100 1 13 . 1 1 40 40 CYS N N 40 117.600 117.600 117.791 -0.191 17821 4101 1 13 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.225 -0.045 17821 4102 1 13 . 1 1 40 40 CYS C C 40 173.800 173.800 176.912 -3.112 17821 4103 1 13 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.697 -4.798 17821 4104 1 13 . 1 1 40 40 CYS CB C 40 36.400 36.400 26.064 10.336 17821 4105 1 13 . 1 1 40 40 CYS H H 40 7.340 7.340 8.009 -0.669 17821 4106 1 13 . 1 1 41 41 ILE N N 41 121.500 121.500 121.335 0.165 17821 4107 1 13 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.874 -0.824 17821 4108 1 13 . 1 1 41 41 ILE C C 41 176.100 176.100 178.639 -2.539 17821 4109 1 13 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.431 -1.031 17821 4110 1 13 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.675 -2.376 17821 4111 1 13 . 1 1 41 41 ILE H H 41 8.230 8.230 8.565 -0.335 17821 4112 1 13 . 1 1 42 42 ILE N N 42 119.200 119.200 120.496 -1.296 17821 4113 1 13 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.722 -0.032 17821 4114 1 13 . 1 1 42 42 ILE C C 42 174.200 174.200 177.924 -3.724 17821 4115 1 13 . 1 1 42 42 ILE CA C 42 61.300 61.300 64.461 -3.161 17821 4116 1 13 . 1 1 42 42 ILE CB C 42 35.800 35.800 36.722 -0.923 17821 4117 1 13 . 1 1 42 42 ILE H H 42 7.770 7.770 8.391 -0.621 17821 4118 1 13 . 1 1 43 43 GLU N N 43 118.700 118.700 119.363 -0.663 17821 4119 1 13 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.163 -0.113 17821 4120 1 13 . 1 1 43 43 GLU C C 43 175.300 175.300 177.953 -2.653 17821 4121 1 13 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.632 -2.332 17821 4122 1 13 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.165 -1.965 17821 4123 1 13 . 1 1 43 43 GLU H H 43 7.600 7.600 7.949 -0.349 17821 4124 1 13 . 1 1 44 44 LYS N N 44 114.600 114.600 114.545 0.055 17821 4125 1 13 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.541 -0.091 17821 4126 1 13 . 1 1 44 44 LYS C C 44 174.500 174.500 175.835 -1.335 17821 4127 1 13 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.189 -2.389 17821 4128 1 13 . 1 1 44 44 LYS CB C 44 32.700 32.700 35.352 -2.652 17821 4129 1 13 . 1 1 44 44 LYS H H 44 8.860 8.860 8.445 0.415 17821 4130 1 13 . 1 1 45 45 GLY N N 45 108.700 108.700 108.705 -0.005 17821 4131 1 13 . 1 1 45 45 GLY C C 45 171.000 171.000 175.097 -4.097 17821 4132 1 13 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.545 -3.245 17821 4133 1 13 . 1 1 45 45 GLY H H 45 7.690 7.690 7.553 0.137 17821 4134 1 13 . 1 1 46 46 GLU N N 46 120.800 120.800 122.452 -1.652 17821 4135 1 13 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.837 -0.397 17821 4136 1 13 . 1 1 46 46 GLU C C 46 175.800 175.800 178.394 -2.594 17821 4137 1 13 . 1 1 46 46 GLU CA C 46 58.300 58.300 60.026 -1.726 17821 4138 1 13 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.561 -2.461 17821 4139 1 13 . 1 1 46 46 GLU H H 46 8.900 8.900 8.933 -0.033 17821 4140 1 13 . 1 1 47 47 GLU N N 47 118.700 118.700 117.811 0.889 17821 4141 1 13 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.052 -0.112 17821 4142 1 13 . 1 1 47 47 GLU C C 47 174.300 174.300 177.580 -3.280 17821 4143 1 13 . 1 1 47 47 GLU CA C 47 55.900 55.900 58.138 -2.238 17821 4144 1 13 . 1 1 47 47 GLU CB C 47 25.500 25.500 28.581 -3.081 17821 4145 1 13 . 1 1 47 47 GLU H H 47 9.530 9.530 8.812 0.718 17821 4146 1 13 . 1 1 48 48 HIS N N 48 117.500 117.500 115.884 1.616 17821 4147 1 13 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.821 0.049 17821 4148 1 13 . 1 1 48 48 HIS C C 48 173.300 173.300 175.326 -2.026 17821 4149 1 13 . 1 1 48 48 HIS CA C 48 53.100 53.100 56.223 -3.123 17821 4150 1 13 . 1 1 48 48 HIS CB C 48 28.900 28.900 30.950 -2.050 17821 4151 1 13 . 1 1 48 48 HIS H H 48 7.500 7.500 7.704 -0.204 17821 4152 1 13 . 1 1 49 49 CYS N N 49 116.100 116.100 120.631 -4.531 17821 4153 1 13 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.866 0.184 17821 4154 1 13 . 1 1 49 49 CYS C C 49 173.700 173.700 175.366 -1.666 17821 4155 1 13 . 1 1 49 49 CYS CA C 49 51.700 51.700 57.338 -5.638 17821 4156 1 13 . 1 1 49 49 CYS CB C 49 39.500 39.500 26.634 12.866 17821 4157 1 13 . 1 1 49 49 CYS H H 49 7.460 7.460 7.736 -0.276 17821 4158 1 13 . 1 1 50 50 GLY N N 50 112.900 112.900 110.862 2.038 17821 4159 1 13 . 1 1 50 50 GLY C C 50 172.500 172.500 175.861 -3.361 17821 4160 1 13 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.450 -2.150 17821 4161 1 13 . 1 1 50 50 GLY H H 50 9.150 9.150 8.635 0.515 17821 4162 1 13 . 1 1 51 51 HIS C C 51 175.400 175.400 176.589 -1.189 17821 4163 1 13 . 1 1 51 51 HIS CA C 51 56.400 56.400 58.566 -2.166 17821 4164 1 13 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.837 -3.837 17821 4165 1 13 . 1 1 52 52 LEU N N 52 122.000 122.000 120.773 1.227 17821 4166 1 13 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.034 0.076 17821 4167 1 13 . 1 1 52 52 LEU C C 52 177.700 177.700 179.038 -1.338 17821 4168 1 13 . 1 1 52 52 LEU CA C 52 53.800 53.800 57.160 -3.360 17821 4169 1 13 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.405 -1.905 17821 4170 1 13 . 1 1 52 52 LEU H H 52 6.810 6.810 8.106 -1.296 17821 4171 1 13 . 1 1 53 53 ILE N N 53 124.200 124.200 120.348 3.852 17821 4172 1 13 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.636 -0.206 17821 4173 1 13 . 1 1 53 53 ILE C C 53 176.100 176.100 178.353 -2.253 17821 4174 1 13 . 1 1 53 53 ILE CA C 53 63.200 63.200 66.047 -2.847 17821 4175 1 13 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.931 -2.031 17821 4176 1 13 . 1 1 53 53 ILE H H 53 8.170 8.170 8.507 -0.337 17821 4177 1 13 . 1 1 54 54 GLU N N 54 120.600 120.600 120.212 0.388 17821 4178 1 13 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.939 0.091 17821 4179 1 13 . 1 1 54 54 GLU C C 54 175.400 175.400 178.641 -3.241 17821 4180 1 13 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.816 -3.716 17821 4181 1 13 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.674 -3.674 17821 4182 1 13 . 1 1 54 54 GLU H H 54 8.380 8.380 8.152 0.228 17821 4183 1 13 . 1 1 55 55 ALA N N 55 120.800 120.800 122.067 -1.267 17821 4184 1 13 . 1 1 55 55 ALA HA H 55 4.120 4.120 3.879 0.241 17821 4185 1 13 . 1 1 55 55 ALA C C 55 177.900 177.900 178.967 -1.067 17821 4186 1 13 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.289 -3.089 17821 4187 1 13 . 1 1 55 55 ALA CB C 55 15.100 15.100 17.915 -2.815 17821 4188 1 13 . 1 1 55 55 ALA H H 55 7.880 7.880 8.295 -0.415 17821 4189 1 13 . 1 1 56 56 HIS N N 56 117.400 117.400 119.607 -2.207 17821 4190 1 13 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.158 0.142 17821 4191 1 13 . 1 1 56 56 HIS C C 56 173.500 173.500 177.283 -3.783 17821 4192 1 13 . 1 1 56 56 HIS CA C 56 57.000 57.000 60.133 -3.133 17821 4193 1 13 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.198 -1.898 17821 4194 1 13 . 1 1 56 56 HIS H H 56 7.640 7.640 8.375 -0.735 17821 4195 1 13 . 1 1 57 57 LYS N N 57 119.200 119.200 118.778 0.422 17821 4196 1 13 . 1 1 57 57 LYS HA H 57 3.600 3.600 3.808 -0.208 17821 4197 1 13 . 1 1 57 57 LYS C C 57 176.200 176.200 178.952 -2.752 17821 4198 1 13 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.648 -2.048 17821 4199 1 13 . 1 1 57 57 LYS CB C 57 29.500 29.500 32.059 -2.558 17821 4200 1 13 . 1 1 57 57 LYS H H 57 7.620 7.620 8.159 -0.539 17821 4201 1 13 . 1 1 58 58 GLU N N 58 118.400 118.400 120.094 -1.694 17821 4202 1 13 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.067 -0.097 17821 4203 1 13 . 1 1 58 58 GLU C C 58 176.200 176.200 179.077 -2.877 17821 4204 1 13 . 1 1 58 58 GLU CA C 58 56.200 56.200 58.953 -2.753 17821 4205 1 13 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.375 -3.075 17821 4206 1 13 . 1 1 58 58 GLU H H 58 8.490 8.490 8.493 -0.003 17821 4207 1 13 . 1 1 59 59 SER N N 59 116.100 116.100 116.085 0.015 17821 4208 1 13 . 1 1 59 59 SER HA H 59 4.150 4.150 4.151 -0.001 17821 4209 1 13 . 1 1 59 59 SER CA C 59 58.400 58.400 61.918 -3.518 17821 4210 1 13 . 1 1 59 59 SER CB C 59 60.300 60.300 63.130 -2.830 17821 4211 1 13 . 1 1 59 59 SER H H 59 7.790 7.790 8.236 -0.446 17821 4212 1 13 . 1 1 60 60 MET N N 60 117.500 117.500 118.889 -1.389 17821 4213 1 13 . 1 1 60 60 MET HA H 60 4.170 4.170 4.114 0.056 17821 4214 1 13 . 1 1 60 60 MET C C 60 176.400 176.400 177.609 -1.209 17821 4215 1 13 . 1 1 60 60 MET CA C 60 54.400 54.400 55.238 -0.838 17821 4216 1 13 . 1 1 60 60 MET CB C 60 29.100 29.100 31.390 -2.290 17821 4217 1 13 . 1 1 60 60 MET H H 60 7.880 7.880 8.052 -0.172 17821 4218 1 13 . 1 1 61 61 ARG N N 61 121.300 121.300 121.555 -0.255 17821 4219 1 13 . 1 1 61 61 ARG HA H 61 4.170 4.170 3.929 0.241 17821 4220 1 13 . 1 1 61 61 ARG C C 61 177.500 177.500 178.341 -0.841 17821 4221 1 13 . 1 1 61 61 ARG CA C 61 56.100 56.100 59.343 -3.243 17821 4222 1 13 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.178 -2.678 17821 4223 1 13 . 1 1 61 61 ARG H H 61 8.290 8.290 8.133 0.157 17821 4224 1 13 . 1 1 62 62 ALA N N 62 123.200 123.200 122.142 1.058 17821 4225 1 13 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.088 -0.018 17821 4226 1 13 . 1 1 62 62 ALA C C 62 176.400 176.400 178.808 -2.408 17821 4227 1 13 . 1 1 62 62 ALA CA C 62 51.500 51.500 54.266 -2.766 17821 4228 1 13 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.430 -3.330 17821 4229 1 13 . 1 1 62 62 ALA H H 62 7.950 7.950 7.842 0.108 17821 4230 1 13 . 1 1 63 63 LEU N N 63 117.500 117.500 116.402 1.098 17821 4231 1 13 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.216 -0.016 17821 4232 1 13 . 1 1 63 63 LEU C C 63 174.400 174.400 177.210 -2.810 17821 4233 1 13 . 1 1 63 63 LEU CA C 63 52.900 52.900 54.256 -1.356 17821 4234 1 13 . 1 1 63 63 LEU CB C 63 39.800 39.800 40.661 -0.862 17821 4235 1 13 . 1 1 63 63 LEU H H 63 7.450 7.450 7.469 -0.019 17821 4236 1 13 . 1 1 64 64 GLY N N 64 106.300 106.300 107.827 -1.527 17821 4237 1 13 . 1 1 64 64 GLY C C 64 171.400 171.400 175.017 -3.617 17821 4238 1 13 . 1 1 64 64 GLY CA C 64 42.100 42.100 45.824 -3.724 17821 4239 1 13 . 1 1 64 64 GLY H H 64 7.780 7.780 7.400 0.380 17821 4240 1 13 . 1 1 65 65 PHE N N 65 119.800 119.800 115.793 4.007 17821 4241 1 13 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.958 -0.488 17821 4242 1 13 . 1 1 65 65 PHE C C 65 172.300 172.300 174.980 -2.680 17821 4243 1 13 . 1 1 65 65 PHE CA C 65 54.900 54.900 55.941 -1.041 17821 4244 1 13 . 1 1 65 65 PHE CB C 65 36.900 36.900 39.020 -2.120 17821 4245 1 13 . 1 1 65 65 PHE H H 65 7.840 7.840 7.552 0.288 17821 4246 1 13 . 1 1 66 66 LYS N N 66 124.000 124.000 121.203 2.797 17821 4247 1 13 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.452 -0.192 17821 4248 1 13 . 1 1 66 66 LYS C C 66 172.200 172.200 175.321 -3.121 17821 4249 1 13 . 1 1 66 66 LYS CA C 66 53.200 53.200 56.912 -3.712 17821 4250 1 13 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.629 -4.329 17821 4251 1 13 . 1 1 66 66 LYS H H 66 8.370 8.370 8.206 0.164 17821 4252 1 14 . 1 1 4 4 THR N N 4 117.400 117.400 111.253 6.147 17821 4253 1 14 . 1 1 4 4 THR HA H 4 4.130 4.130 4.376 -0.246 17821 4254 1 14 . 1 1 4 4 THR C C 4 170.800 170.800 174.819 -4.019 17821 4255 1 14 . 1 1 4 4 THR CA C 4 58.800 58.800 62.101 -3.301 17821 4256 1 14 . 1 1 4 4 THR CB C 4 67.000 67.000 68.678 -1.678 17821 4257 1 14 . 1 1 4 4 THR H H 4 7.980 7.980 8.269 -0.289 17821 4258 1 14 . 1 1 5 5 MET N N 5 124.400 124.400 122.772 1.628 17821 4259 1 14 . 1 1 5 5 MET C C 5 171.200 171.200 174.381 -3.181 17821 4260 1 14 . 1 1 5 5 MET CA C 5 50.400 50.400 53.629 -3.228 17821 4261 1 14 . 1 1 5 5 MET CB C 5 29.600 29.600 32.078 -2.478 17821 4262 1 14 . 1 1 5 5 MET H H 5 8.250 8.250 7.425 0.825 17821 4263 1 14 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.318 -0.038 17821 4264 1 14 . 1 1 6 6 PRO CA C 6 60.500 60.500 63.809 -3.309 17821 4265 1 14 . 1 1 6 6 PRO CB C 6 29.200 29.200 31.714 -2.514 17821 4266 1 14 . 1 1 7 7 GLY N N 7 109.000 109.000 111.749 -2.749 17821 4267 1 14 . 1 1 7 7 GLY C C 7 171.200 171.200 174.548 -3.348 17821 4268 1 14 . 1 1 7 7 GLY CA C 7 42.400 42.400 44.829 -2.429 17821 4269 1 14 . 1 1 7 7 GLY H H 7 8.360 8.360 8.607 -0.247 17821 4270 1 14 . 1 1 8 8 LEU N N 8 121.700 121.700 123.579 -1.879 17821 4271 1 14 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.515 -0.255 17821 4272 1 14 . 1 1 8 8 LEU C C 8 174.600 174.600 176.279 -1.679 17821 4273 1 14 . 1 1 8 8 LEU CA C 8 52.300 52.300 54.795 -2.495 17821 4274 1 14 . 1 1 8 8 LEU CB C 8 39.400 39.400 40.076 -0.676 17821 4275 1 14 . 1 1 8 8 LEU H H 8 7.920 7.920 8.256 -0.336 17821 4276 1 14 . 1 1 9 9 VAL N N 9 120.900 120.900 125.406 -4.506 17821 4277 1 14 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.195 -0.215 17821 4278 1 14 . 1 1 9 9 VAL C C 9 172.900 172.900 175.650 -2.750 17821 4279 1 14 . 1 1 9 9 VAL CA C 9 59.400 59.400 61.740 -2.340 17821 4280 1 14 . 1 1 9 9 VAL CB C 9 30.000 30.000 31.887 -1.887 17821 4281 1 14 . 1 1 9 9 VAL H H 9 8.050 8.050 7.882 0.168 17821 4282 1 14 . 1 1 10 10 ASP N N 10 124.300 124.300 128.228 -3.928 17821 4283 1 14 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.624 -0.154 17821 4284 1 14 . 1 1 10 10 ASP C C 10 173.100 173.100 175.749 -2.649 17821 4285 1 14 . 1 1 10 10 ASP CA C 10 51.500 51.500 53.470 -1.970 17821 4286 1 14 . 1 1 10 10 ASP CB C 10 38.300 38.300 40.327 -2.027 17821 4287 1 14 . 1 1 10 10 ASP H H 10 8.300 8.300 8.713 -0.413 17821 4288 1 14 . 1 1 11 11 SER N N 11 116.400 116.400 117.132 -0.732 17821 4289 1 14 . 1 1 11 11 SER HA H 11 4.290 4.290 4.419 -0.129 17821 4290 1 14 . 1 1 11 11 SER C C 11 171.200 171.200 174.230 -3.030 17821 4291 1 14 . 1 1 11 11 SER CA C 11 55.500 55.500 59.052 -3.552 17821 4292 1 14 . 1 1 11 11 SER CB C 11 60.900 60.900 63.632 -2.732 17821 4293 1 14 . 1 1 11 11 SER H H 11 8.130 8.130 8.075 0.055 17821 4294 1 14 . 1 1 12 12 ASN N N 12 121.600 121.600 123.049 -1.449 17821 4295 1 14 . 1 1 12 12 ASN HA H 12 4.230 4.230 5.054 -0.824 17821 4296 1 14 . 1 1 12 12 ASN C C 12 170.000 170.000 173.243 -3.243 17821 4297 1 14 . 1 1 12 12 ASN CA C 12 56.500 56.500 51.886 4.614 17821 4298 1 14 . 1 1 12 12 ASN CB C 12 36.000 36.000 39.941 -3.941 17821 4299 1 14 . 1 1 12 12 ASN H H 12 8.360 8.360 8.523 -0.163 17821 4300 1 14 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.647 -0.357 17821 4301 1 14 . 1 1 13 13 PRO CA C 13 60.300 60.300 62.924 -2.624 17821 4302 1 14 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.709 -3.509 17821 4303 1 14 . 1 1 14 14 ALA N N 14 125.700 125.700 119.983 5.717 17821 4304 1 14 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.180 0.230 17821 4305 1 14 . 1 1 14 14 ALA C C 14 172.200 172.200 176.204 -4.004 17821 4306 1 14 . 1 1 14 14 ALA CA C 14 47.500 47.500 51.899 -4.399 17821 4307 1 14 . 1 1 14 14 ALA CB C 14 15.100 15.100 17.361 -2.261 17821 4308 1 14 . 1 1 14 14 ALA H H 14 8.260 8.260 8.298 -0.038 17821 4309 1 14 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.433 -0.153 17821 4310 1 14 . 1 1 16 16 PRO CA C 16 60.500 60.500 62.850 -2.350 17821 4311 1 14 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.202 -3.002 17821 4312 1 14 . 1 1 17 17 GLU N N 17 120.600 120.600 118.354 2.246 17821 4313 1 14 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.057 0.063 17821 4314 1 14 . 1 1 17 17 GLU C C 17 173.900 173.900 176.114 -2.214 17821 4315 1 14 . 1 1 17 17 GLU CA C 17 54.100 54.100 57.404 -3.304 17821 4316 1 14 . 1 1 17 17 GLU CB C 17 27.100 27.100 29.796 -2.696 17821 4317 1 14 . 1 1 17 17 GLU H H 17 8.550 8.550 8.565 -0.015 17821 4318 1 14 . 1 1 18 18 SER N N 18 116.400 116.400 115.835 0.565 17821 4319 1 14 . 1 1 18 18 SER HA H 18 4.310 4.310 4.456 -0.146 17821 4320 1 14 . 1 1 18 18 SER C C 18 171.900 171.900 174.055 -2.155 17821 4321 1 14 . 1 1 18 18 SER CA C 18 55.600 55.600 57.713 -2.113 17821 4322 1 14 . 1 1 18 18 SER CB C 18 60.800 60.800 63.985 -3.185 17821 4323 1 14 . 1 1 18 18 SER H H 18 8.240 8.240 7.596 0.644 17821 4324 1 14 . 1 1 19 19 GLN N N 19 122.300 122.300 121.393 0.907 17821 4325 1 14 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.315 -0.115 17821 4326 1 14 . 1 1 19 19 GLN C C 19 173.100 173.100 176.198 -3.098 17821 4327 1 14 . 1 1 19 19 GLN CA C 19 53.000 53.000 55.887 -2.887 17821 4328 1 14 . 1 1 19 19 GLN CB C 19 26.500 26.500 28.732 -2.232 17821 4329 1 14 . 1 1 19 19 GLN H H 19 8.310 8.310 8.402 -0.092 17821 4330 1 14 . 1 1 20 20 GLU N N 20 121.600 121.600 123.090 -1.490 17821 4331 1 14 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.169 0.121 17821 4332 1 14 . 1 1 20 20 GLU C C 20 173.500 173.500 176.869 -3.369 17821 4333 1 14 . 1 1 20 20 GLU CA C 20 53.900 53.900 56.463 -2.563 17821 4334 1 14 . 1 1 20 20 GLU CB C 20 27.400 27.400 30.482 -3.082 17821 4335 1 14 . 1 1 20 20 GLU H H 20 8.240 8.240 8.492 -0.252 17821 4336 1 14 . 1 1 21 21 LYS N N 21 122.900 122.900 124.313 -1.413 17821 4337 1 14 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.160 0.020 17821 4338 1 14 . 1 1 21 21 LYS C C 21 173.400 173.400 176.864 -3.464 17821 4339 1 14 . 1 1 21 21 LYS CA C 21 53.300 53.300 56.626 -3.326 17821 4340 1 14 . 1 1 21 21 LYS CB C 21 29.800 29.800 32.476 -2.676 17821 4341 1 14 . 1 1 21 21 LYS H H 21 8.260 8.260 8.484 -0.224 17821 4342 1 14 . 1 1 22 22 LYS N N 22 124.000 124.000 125.736 -1.736 17821 4343 1 14 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.388 0.062 17821 4344 1 14 . 1 1 22 22 LYS C C 22 171.500 171.500 175.689 -4.189 17821 4345 1 14 . 1 1 22 22 LYS CA C 22 51.200 51.200 54.973 -3.773 17821 4346 1 14 . 1 1 22 22 LYS CB C 22 29.500 29.500 31.406 -1.906 17821 4347 1 14 . 1 1 22 22 LYS H H 22 8.220 8.220 8.342 -0.122 17821 4348 1 14 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.315 -0.025 17821 4349 1 14 . 1 1 23 23 PRO CA C 23 60.100 60.100 63.014 -2.914 17821 4350 1 14 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.421 -3.221 17821 4351 1 14 . 1 1 24 24 LEU N N 24 122.700 122.700 120.567 2.133 17821 4352 1 14 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.705 -0.545 17821 4353 1 14 . 1 1 24 24 LEU C C 24 174.400 174.400 175.683 -1.283 17821 4354 1 14 . 1 1 24 24 LEU CA C 24 52.400 52.400 54.352 -1.952 17821 4355 1 14 . 1 1 24 24 LEU CB C 24 39.600 39.600 44.462 -4.862 17821 4356 1 14 . 1 1 24 24 LEU H H 24 8.270 8.270 8.103 0.167 17821 4357 1 14 . 1 1 25 25 LYS N N 25 123.400 123.400 122.797 0.603 17821 4358 1 14 . 1 1 25 25 LYS C C 25 171.600 171.600 174.554 -2.954 17821 4359 1 14 . 1 1 25 25 LYS CA C 25 50.900 50.900 53.919 -3.019 17821 4360 1 14 . 1 1 25 25 LYS CB C 25 29.800 29.800 32.820 -3.020 17821 4361 1 14 . 1 1 25 25 LYS H H 25 8.180 8.180 8.326 -0.146 17821 4362 1 14 . 1 1 28 28 CYS CA C 28 46.000 46.000 57.537 -11.537 17821 4363 1 14 . 1 1 28 28 CYS CB C 28 31.000 31.000 26.442 4.559 17821 4364 1 14 . 1 1 29 29 ALA N N 29 123.800 123.800 121.557 2.243 17821 4365 1 14 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.656 -0.506 17821 4366 1 14 . 1 1 29 29 ALA C C 29 173.200 173.200 176.096 -2.896 17821 4367 1 14 . 1 1 29 29 ALA CA C 29 49.700 49.700 50.950 -1.250 17821 4368 1 14 . 1 1 29 29 ALA CB C 29 17.600 17.600 21.195 -3.595 17821 4369 1 14 . 1 1 29 29 ALA H H 29 8.050 8.050 7.272 0.778 17821 4370 1 14 . 1 1 30 30 SER N N 30 112.800 112.800 116.315 -3.515 17821 4371 1 14 . 1 1 30 30 SER HA H 30 4.580 4.580 5.054 -0.474 17821 4372 1 14 . 1 1 30 30 SER C C 30 173.300 173.300 173.945 -0.645 17821 4373 1 14 . 1 1 30 30 SER CA C 30 52.600 52.600 55.121 -2.522 17821 4374 1 14 . 1 1 30 30 SER CB C 30 59.400 59.400 63.279 -3.880 17821 4375 1 14 . 1 1 30 30 SER H H 30 8.270 8.270 8.750 -0.480 17821 4376 1 14 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.107 0.053 17821 4377 1 14 . 1 1 31 31 PRO CA C 31 61.800 61.800 65.144 -3.344 17821 4378 1 14 . 1 1 31 31 PRO CB C 31 29.300 29.300 31.815 -2.515 17821 4379 1 14 . 1 1 32 32 GLU N N 32 119.100 119.100 117.278 1.822 17821 4380 1 14 . 1 1 32 32 GLU HA H 32 4.060 4.060 4.039 0.021 17821 4381 1 14 . 1 1 32 32 GLU C C 32 177.300 177.300 178.390 -1.090 17821 4382 1 14 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.372 -2.472 17821 4383 1 14 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.156 -2.156 17821 4384 1 14 . 1 1 32 32 GLU H H 32 8.720 8.720 8.928 -0.208 17821 4385 1 14 . 1 1 33 33 THR N N 33 110.800 110.800 112.515 -1.715 17821 4386 1 14 . 1 1 33 33 THR HA H 33 4.040 4.040 4.188 -0.148 17821 4387 1 14 . 1 1 33 33 THR C C 33 176.000 176.000 176.356 -0.356 17821 4388 1 14 . 1 1 33 33 THR CA C 33 61.700 61.700 65.260 -3.560 17821 4389 1 14 . 1 1 33 33 THR CB C 33 64.100 64.100 68.762 -4.662 17821 4390 1 14 . 1 1 33 33 THR H H 33 7.620 7.620 7.779 -0.159 17821 4391 1 14 . 1 1 34 34 LYS N N 34 127.100 127.100 122.818 4.282 17821 4392 1 14 . 1 1 34 34 LYS HA H 34 2.920 2.920 3.751 -0.831 17821 4393 1 14 . 1 1 34 34 LYS C C 34 174.300 174.300 178.379 -4.079 17821 4394 1 14 . 1 1 34 34 LYS CA C 34 57.300 57.300 60.032 -2.732 17821 4395 1 14 . 1 1 34 34 LYS CB C 34 30.000 30.000 32.145 -2.145 17821 4396 1 14 . 1 1 34 34 LYS H H 34 7.740 7.740 7.683 0.057 17821 4397 1 14 . 1 1 35 35 LYS N N 35 118.500 118.500 118.508 -0.008 17821 4398 1 14 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.091 -0.201 17821 4399 1 14 . 1 1 35 35 LYS C C 35 176.500 176.500 178.931 -2.431 17821 4400 1 14 . 1 1 35 35 LYS CA C 35 56.700 56.700 58.918 -2.218 17821 4401 1 14 . 1 1 35 35 LYS CB C 35 29.500 29.500 31.938 -2.438 17821 4402 1 14 . 1 1 35 35 LYS H H 35 7.880 7.880 8.336 -0.456 17821 4403 1 14 . 1 1 36 36 ALA N N 36 120.100 120.100 122.533 -2.433 17821 4404 1 14 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.097 -0.057 17821 4405 1 14 . 1 1 36 36 ALA C C 36 177.600 177.600 179.795 -2.195 17821 4406 1 14 . 1 1 36 36 ALA CA C 36 52.000 52.000 55.057 -3.057 17821 4407 1 14 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.255 -2.854 17821 4408 1 14 . 1 1 36 36 ALA H H 36 7.490 7.490 7.986 -0.496 17821 4409 1 14 . 1 1 37 37 ARG N N 37 118.500 118.500 118.948 -0.448 17821 4410 1 14 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.976 -0.356 17821 4411 1 14 . 1 1 37 37 ARG C C 37 174.100 174.100 178.561 -4.461 17821 4412 1 14 . 1 1 37 37 ARG CA C 37 56.600 56.600 59.132 -2.532 17821 4413 1 14 . 1 1 37 37 ARG CB C 37 27.100 27.100 29.570 -2.470 17821 4414 1 14 . 1 1 37 37 ARG H H 37 7.630 7.630 8.219 -0.589 17821 4415 1 14 . 1 1 38 38 ASP N N 38 120.200 120.200 119.229 0.971 17821 4416 1 14 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.401 -0.131 17821 4417 1 14 . 1 1 38 38 ASP C C 38 175.500 175.500 178.566 -3.066 17821 4418 1 14 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.214 -2.514 17821 4419 1 14 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.267 -4.067 17821 4420 1 14 . 1 1 38 38 ASP H H 38 8.680 8.680 8.326 0.354 17821 4421 1 14 . 1 1 39 39 ALA N N 39 121.100 121.100 122.209 -1.109 17821 4422 1 14 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.135 -0.125 17821 4423 1 14 . 1 1 39 39 ALA C C 39 176.800 176.800 179.776 -2.976 17821 4424 1 14 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.164 -3.064 17821 4425 1 14 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.305 -3.105 17821 4426 1 14 . 1 1 39 39 ALA H H 39 8.040 8.040 8.158 -0.118 17821 4427 1 14 . 1 1 40 40 CYS N N 40 117.600 117.600 118.048 -0.448 17821 4428 1 14 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.259 -0.079 17821 4429 1 14 . 1 1 40 40 CYS C C 40 173.800 173.800 176.699 -2.899 17821 4430 1 14 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.619 -4.719 17821 4431 1 14 . 1 1 40 40 CYS CB C 40 36.400 36.400 26.059 10.341 17821 4432 1 14 . 1 1 40 40 CYS H H 40 7.340 7.340 8.041 -0.701 17821 4433 1 14 . 1 1 41 41 ILE N N 41 121.500 121.500 121.298 0.202 17821 4434 1 14 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.967 -0.917 17821 4435 1 14 . 1 1 41 41 ILE C C 41 176.100 176.100 178.396 -2.296 17821 4436 1 14 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.143 -0.743 17821 4437 1 14 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.877 -2.577 17821 4438 1 14 . 1 1 41 41 ILE H H 41 8.230 8.230 8.429 -0.199 17821 4439 1 14 . 1 1 42 42 ILE N N 42 119.200 119.200 119.240 -0.040 17821 4440 1 14 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.657 0.033 17821 4441 1 14 . 1 1 42 42 ILE C C 42 174.200 174.200 177.749 -3.549 17821 4442 1 14 . 1 1 42 42 ILE CA C 42 61.300 61.300 64.579 -3.279 17821 4443 1 14 . 1 1 42 42 ILE CB C 42 35.800 35.800 37.970 -2.170 17821 4444 1 14 . 1 1 42 42 ILE H H 42 7.770 7.770 8.180 -0.410 17821 4445 1 14 . 1 1 43 43 GLU N N 43 118.700 118.700 118.806 -0.106 17821 4446 1 14 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.165 -0.115 17821 4447 1 14 . 1 1 43 43 GLU C C 43 175.300 175.300 177.648 -2.348 17821 4448 1 14 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.754 -2.454 17821 4449 1 14 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.053 -1.853 17821 4450 1 14 . 1 1 43 43 GLU H H 43 7.600 7.600 7.923 -0.323 17821 4451 1 14 . 1 1 44 44 LYS N N 44 114.600 114.600 115.811 -1.211 17821 4452 1 14 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.504 -0.054 17821 4453 1 14 . 1 1 44 44 LYS C C 44 174.500 174.500 176.376 -1.876 17821 4454 1 14 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.600 -2.800 17821 4455 1 14 . 1 1 44 44 LYS CB C 44 32.700 32.700 35.372 -2.672 17821 4456 1 14 . 1 1 44 44 LYS H H 44 8.860 8.860 8.523 0.337 17821 4457 1 14 . 1 1 45 45 GLY N N 45 108.700 108.700 107.266 1.434 17821 4458 1 14 . 1 1 45 45 GLY C C 45 171.000 171.000 174.689 -3.689 17821 4459 1 14 . 1 1 45 45 GLY CA C 45 41.300 41.300 45.200 -3.900 17821 4460 1 14 . 1 1 45 45 GLY H H 45 7.690 7.690 7.476 0.214 17821 4461 1 14 . 1 1 46 46 GLU N N 46 120.800 120.800 121.351 -0.551 17821 4462 1 14 . 1 1 46 46 GLU HA H 46 3.440 3.440 4.205 -0.765 17821 4463 1 14 . 1 1 46 46 GLU C C 46 175.800 175.800 176.167 -0.367 17821 4464 1 14 . 1 1 46 46 GLU CA C 46 58.300 58.300 58.229 0.071 17821 4465 1 14 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.584 -2.484 17821 4466 1 14 . 1 1 46 46 GLU H H 46 8.900 8.900 8.799 0.101 17821 4467 1 14 . 1 1 47 47 GLU N N 47 118.700 118.700 117.978 0.722 17821 4468 1 14 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.265 -0.325 17821 4469 1 14 . 1 1 47 47 GLU C C 47 174.300 174.300 175.390 -1.090 17821 4470 1 14 . 1 1 47 47 GLU CA C 47 55.900 55.900 55.292 0.608 17821 4471 1 14 . 1 1 47 47 GLU CB C 47 25.500 25.500 30.265 -4.765 17821 4472 1 14 . 1 1 47 47 GLU H H 47 9.530 9.530 7.875 1.655 17821 4473 1 14 . 1 1 48 48 HIS N N 48 117.500 117.500 113.983 3.517 17821 4474 1 14 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.296 0.574 17821 4475 1 14 . 1 1 48 48 HIS C C 48 173.300 173.300 174.685 -1.385 17821 4476 1 14 . 1 1 48 48 HIS CA C 48 53.100 53.100 56.748 -3.648 17821 4477 1 14 . 1 1 48 48 HIS CB C 48 28.900 28.900 27.952 0.948 17821 4478 1 14 . 1 1 48 48 HIS H H 48 7.500 7.500 8.458 -0.958 17821 4479 1 14 . 1 1 49 49 CYS N N 49 116.100 116.100 117.103 -1.003 17821 4480 1 14 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.997 0.053 17821 4481 1 14 . 1 1 49 49 CYS C C 49 173.700 173.700 176.469 -2.769 17821 4482 1 14 . 1 1 49 49 CYS CA C 49 51.700 51.700 58.002 -6.302 17821 4483 1 14 . 1 1 49 49 CYS CB C 49 39.500 39.500 26.266 13.234 17821 4484 1 14 . 1 1 49 49 CYS H H 49 7.460 7.460 8.631 -1.171 17821 4485 1 14 . 1 1 50 50 GLY N N 50 112.900 112.900 109.547 3.353 17821 4486 1 14 . 1 1 50 50 GLY C C 50 172.500 172.500 175.706 -3.206 17821 4487 1 14 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.328 -2.028 17821 4488 1 14 . 1 1 50 50 GLY H H 50 9.150 9.150 8.673 0.477 17821 4489 1 14 . 1 1 51 51 HIS C C 51 175.400 175.400 177.136 -1.736 17821 4490 1 14 . 1 1 51 51 HIS CA C 51 56.400 56.400 58.814 -2.414 17821 4491 1 14 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.658 -3.658 17821 4492 1 14 . 1 1 52 52 LEU N N 52 122.000 122.000 120.935 1.065 17821 4493 1 14 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.272 -0.162 17821 4494 1 14 . 1 1 52 52 LEU C C 52 177.700 177.700 179.072 -1.372 17821 4495 1 14 . 1 1 52 52 LEU CA C 52 53.800 53.800 57.153 -3.353 17821 4496 1 14 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.339 -1.839 17821 4497 1 14 . 1 1 52 52 LEU H H 52 6.810 6.810 7.958 -1.148 17821 4498 1 14 . 1 1 53 53 ILE N N 53 124.200 124.200 121.210 2.990 17821 4499 1 14 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.756 -0.326 17821 4500 1 14 . 1 1 53 53 ILE C C 53 176.100 176.100 178.508 -2.408 17821 4501 1 14 . 1 1 53 53 ILE CA C 53 63.200 63.200 65.937 -2.737 17821 4502 1 14 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.994 -2.094 17821 4503 1 14 . 1 1 53 53 ILE H H 53 8.170 8.170 8.332 -0.162 17821 4504 1 14 . 1 1 54 54 GLU N N 54 120.600 120.600 120.546 0.054 17821 4505 1 14 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.948 0.082 17821 4506 1 14 . 1 1 54 54 GLU C C 54 175.400 175.400 178.626 -3.226 17821 4507 1 14 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.949 -3.849 17821 4508 1 14 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.636 -3.636 17821 4509 1 14 . 1 1 54 54 GLU H H 54 8.380 8.380 8.475 -0.095 17821 4510 1 14 . 1 1 55 55 ALA N N 55 120.800 120.800 122.266 -1.466 17821 4511 1 14 . 1 1 55 55 ALA HA H 55 4.120 4.120 4.094 0.026 17821 4512 1 14 . 1 1 55 55 ALA C C 55 177.900 177.900 179.330 -1.430 17821 4513 1 14 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.078 -2.878 17821 4514 1 14 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.310 -3.210 17821 4515 1 14 . 1 1 55 55 ALA H H 55 7.880 7.880 8.048 -0.168 17821 4516 1 14 . 1 1 56 56 HIS N N 56 117.400 117.400 118.614 -1.214 17821 4517 1 14 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.298 0.002 17821 4518 1 14 . 1 1 56 56 HIS C C 56 173.500 173.500 177.383 -3.883 17821 4519 1 14 . 1 1 56 56 HIS CA C 56 57.000 57.000 59.106 -2.106 17821 4520 1 14 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.287 -1.987 17821 4521 1 14 . 1 1 56 56 HIS H H 56 7.640 7.640 8.541 -0.901 17821 4522 1 14 . 1 1 57 57 LYS N N 57 119.200 119.200 119.191 0.009 17821 4523 1 14 . 1 1 57 57 LYS HA H 57 3.600 3.600 3.885 -0.285 17821 4524 1 14 . 1 1 57 57 LYS C C 57 176.200 176.200 178.938 -2.738 17821 4525 1 14 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.481 -1.881 17821 4526 1 14 . 1 1 57 57 LYS CB C 57 29.500 29.500 32.036 -2.536 17821 4527 1 14 . 1 1 57 57 LYS H H 57 7.620 7.620 8.357 -0.737 17821 4528 1 14 . 1 1 58 58 GLU N N 58 118.400 118.400 120.573 -2.173 17821 4529 1 14 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.038 -0.068 17821 4530 1 14 . 1 1 58 58 GLU C C 58 176.200 176.200 179.070 -2.870 17821 4531 1 14 . 1 1 58 58 GLU CA C 58 56.200 56.200 59.127 -2.927 17821 4532 1 14 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.359 -3.059 17821 4533 1 14 . 1 1 58 58 GLU H H 58 8.490 8.490 8.490 -0.000 17821 4534 1 14 . 1 1 59 59 SER N N 59 116.100 116.100 115.489 0.611 17821 4535 1 14 . 1 1 59 59 SER HA H 59 4.150 4.150 4.229 -0.079 17821 4536 1 14 . 1 1 59 59 SER CA C 59 58.400 58.400 61.642 -3.242 17821 4537 1 14 . 1 1 59 59 SER CB C 59 60.300 60.300 63.149 -2.849 17821 4538 1 14 . 1 1 59 59 SER H H 59 7.790 7.790 8.227 -0.437 17821 4539 1 14 . 1 1 60 60 MET N N 60 117.500 117.500 116.979 0.521 17821 4540 1 14 . 1 1 60 60 MET HA H 60 4.170 4.170 4.322 -0.152 17821 4541 1 14 . 1 1 60 60 MET C C 60 176.400 176.400 178.117 -1.717 17821 4542 1 14 . 1 1 60 60 MET CA C 60 54.400 54.400 54.925 -0.525 17821 4543 1 14 . 1 1 60 60 MET CB C 60 29.100 29.100 31.848 -2.748 17821 4544 1 14 . 1 1 60 60 MET H H 60 7.880 7.880 7.938 -0.058 17821 4545 1 14 . 1 1 61 61 ARG N N 61 121.300 121.300 122.044 -0.744 17821 4546 1 14 . 1 1 61 61 ARG HA H 61 4.170 4.170 3.958 0.212 17821 4547 1 14 . 1 1 61 61 ARG C C 61 177.500 177.500 178.467 -0.967 17821 4548 1 14 . 1 1 61 61 ARG CA C 61 56.100 56.100 59.361 -3.261 17821 4549 1 14 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.172 -2.672 17821 4550 1 14 . 1 1 61 61 ARG H H 61 8.290 8.290 8.441 -0.151 17821 4551 1 14 . 1 1 62 62 ALA N N 62 123.200 123.200 122.732 0.468 17821 4552 1 14 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.117 -0.047 17821 4553 1 14 . 1 1 62 62 ALA C C 62 176.400 176.400 178.224 -1.824 17821 4554 1 14 . 1 1 62 62 ALA CA C 62 51.500 51.500 54.293 -2.793 17821 4555 1 14 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.517 -3.417 17821 4556 1 14 . 1 1 62 62 ALA H H 62 7.950 7.950 8.046 -0.096 17821 4557 1 14 . 1 1 63 63 LEU N N 63 117.500 117.500 117.095 0.405 17821 4558 1 14 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.319 -0.119 17821 4559 1 14 . 1 1 63 63 LEU C C 63 174.400 174.400 177.272 -2.872 17821 4560 1 14 . 1 1 63 63 LEU CA C 63 52.900 52.900 53.820 -0.920 17821 4561 1 14 . 1 1 63 63 LEU CB C 63 39.800 39.800 40.551 -0.751 17821 4562 1 14 . 1 1 63 63 LEU H H 63 7.450 7.450 7.470 -0.020 17821 4563 1 14 . 1 1 64 64 GLY N N 64 106.300 106.300 108.582 -2.282 17821 4564 1 14 . 1 1 64 64 GLY C C 64 171.400 171.400 175.434 -4.034 17821 4565 1 14 . 1 1 64 64 GLY CA C 64 42.100 42.100 46.358 -4.258 17821 4566 1 14 . 1 1 64 64 GLY H H 64 7.780 7.780 7.889 -0.109 17821 4567 1 14 . 1 1 65 65 PHE N N 65 119.800 119.800 116.987 2.813 17821 4568 1 14 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.850 -0.380 17821 4569 1 14 . 1 1 65 65 PHE C C 65 172.300 172.300 175.757 -3.457 17821 4570 1 14 . 1 1 65 65 PHE CA C 65 54.900 54.900 56.099 -1.199 17821 4571 1 14 . 1 1 65 65 PHE CB C 65 36.900 36.900 38.445 -1.545 17821 4572 1 14 . 1 1 65 65 PHE H H 65 7.840 7.840 7.395 0.445 17821 4573 1 14 . 1 1 66 66 LYS N N 66 124.000 124.000 121.116 2.884 17821 4574 1 14 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.430 -0.170 17821 4575 1 14 . 1 1 66 66 LYS C C 66 172.200 172.200 176.036 -3.836 17821 4576 1 14 . 1 1 66 66 LYS CA C 66 53.200 53.200 56.946 -3.746 17821 4577 1 14 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.642 -4.342 17821 4578 1 14 . 1 1 66 66 LYS H H 66 8.370 8.370 7.928 0.442 17821 4579 1 15 . 1 1 4 4 THR N N 4 117.400 117.400 117.513 -0.113 17821 4580 1 15 . 1 1 4 4 THR HA H 4 4.130 4.130 4.351 -0.221 17821 4581 1 15 . 1 1 4 4 THR C C 4 170.800 170.800 172.693 -1.893 17821 4582 1 15 . 1 1 4 4 THR CA C 4 58.800 58.800 59.810 -1.010 17821 4583 1 15 . 1 1 4 4 THR CB C 4 67.000 67.000 71.846 -4.846 17821 4584 1 15 . 1 1 4 4 THR H H 4 7.980 7.980 7.323 0.657 17821 4585 1 15 . 1 1 5 5 MET N N 5 124.400 124.400 121.153 3.247 17821 4586 1 15 . 1 1 5 5 MET C C 5 171.200 171.200 175.157 -3.957 17821 4587 1 15 . 1 1 5 5 MET CA C 5 50.400 50.400 55.031 -4.631 17821 4588 1 15 . 1 1 5 5 MET CB C 5 29.600 29.600 32.850 -3.250 17821 4589 1 15 . 1 1 5 5 MET H H 5 8.250 8.250 8.368 -0.118 17821 4590 1 15 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.326 -0.046 17821 4591 1 15 . 1 1 6 6 PRO CA C 6 60.500 60.500 64.158 -3.658 17821 4592 1 15 . 1 1 6 6 PRO CB C 6 29.200 29.200 31.729 -2.529 17821 4593 1 15 . 1 1 7 7 GLY N N 7 109.000 109.000 111.963 -2.963 17821 4594 1 15 . 1 1 7 7 GLY C C 7 171.200 171.200 174.817 -3.617 17821 4595 1 15 . 1 1 7 7 GLY CA C 7 42.400 42.400 45.295 -2.895 17821 4596 1 15 . 1 1 7 7 GLY H H 7 8.360 8.360 8.630 -0.270 17821 4597 1 15 . 1 1 8 8 LEU N N 8 121.700 121.700 123.429 -1.729 17821 4598 1 15 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.467 -0.207 17821 4599 1 15 . 1 1 8 8 LEU C C 8 174.600 174.600 176.188 -1.588 17821 4600 1 15 . 1 1 8 8 LEU CA C 8 52.300 52.300 54.576 -2.276 17821 4601 1 15 . 1 1 8 8 LEU CB C 8 39.400 39.400 39.672 -0.272 17821 4602 1 15 . 1 1 8 8 LEU H H 8 7.920 7.920 7.669 0.251 17821 4603 1 15 . 1 1 9 9 VAL N N 9 120.900 120.900 125.285 -4.385 17821 4604 1 15 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.208 -0.228 17821 4605 1 15 . 1 1 9 9 VAL C C 9 172.900 172.900 175.692 -2.792 17821 4606 1 15 . 1 1 9 9 VAL CA C 9 59.400 59.400 61.229 -1.829 17821 4607 1 15 . 1 1 9 9 VAL CB C 9 30.000 30.000 31.498 -1.498 17821 4608 1 15 . 1 1 9 9 VAL H H 9 8.050 8.050 7.760 0.290 17821 4609 1 15 . 1 1 10 10 ASP N N 10 124.300 124.300 126.722 -2.422 17821 4610 1 15 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.661 -0.191 17821 4611 1 15 . 1 1 10 10 ASP C C 10 173.100 173.100 176.308 -3.208 17821 4612 1 15 . 1 1 10 10 ASP CA C 10 51.500 51.500 53.679 -2.179 17821 4613 1 15 . 1 1 10 10 ASP CB C 10 38.300 38.300 39.471 -1.171 17821 4614 1 15 . 1 1 10 10 ASP H H 10 8.300 8.300 8.821 -0.521 17821 4615 1 15 . 1 1 11 11 SER N N 11 116.400 116.400 115.806 0.594 17821 4616 1 15 . 1 1 11 11 SER HA H 11 4.290 4.290 4.438 -0.148 17821 4617 1 15 . 1 1 11 11 SER C C 11 171.200 171.200 175.116 -3.916 17821 4618 1 15 . 1 1 11 11 SER CA C 11 55.500 55.500 58.752 -3.252 17821 4619 1 15 . 1 1 11 11 SER CB C 11 60.900 60.900 63.888 -2.988 17821 4620 1 15 . 1 1 11 11 SER H H 11 8.130 8.130 7.914 0.216 17821 4621 1 15 . 1 1 12 12 ASN N N 12 121.600 121.600 120.766 0.834 17821 4622 1 15 . 1 1 12 12 ASN HA H 12 4.230 4.230 5.099 -0.869 17821 4623 1 15 . 1 1 12 12 ASN C C 12 170.000 170.000 173.024 -3.024 17821 4624 1 15 . 1 1 12 12 ASN CA C 12 56.500 56.500 50.306 6.194 17821 4625 1 15 . 1 1 12 12 ASN CB C 12 36.000 36.000 40.071 -4.071 17821 4626 1 15 . 1 1 12 12 ASN H H 12 8.360 8.360 7.915 0.445 17821 4627 1 15 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.472 -0.182 17821 4628 1 15 . 1 1 13 13 PRO CA C 13 60.300 60.300 62.831 -2.531 17821 4629 1 15 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.525 -3.325 17821 4630 1 15 . 1 1 14 14 ALA N N 14 125.700 125.700 121.582 4.118 17821 4631 1 15 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.124 0.286 17821 4632 1 15 . 1 1 14 14 ALA C C 14 172.200 172.200 176.115 -3.915 17821 4633 1 15 . 1 1 14 14 ALA CA C 14 47.500 47.500 51.888 -4.388 17821 4634 1 15 . 1 1 14 14 ALA CB C 14 15.100 15.100 17.435 -2.335 17821 4635 1 15 . 1 1 14 14 ALA H H 14 8.260 8.260 8.358 -0.098 17821 4636 1 15 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.635 -0.355 17821 4637 1 15 . 1 1 16 16 PRO CA C 16 60.500 60.500 62.922 -2.422 17821 4638 1 15 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.873 -3.673 17821 4639 1 15 . 1 1 17 17 GLU N N 17 120.600 120.600 121.611 -1.011 17821 4640 1 15 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.577 -0.457 17821 4641 1 15 . 1 1 17 17 GLU C C 17 173.900 173.900 175.003 -1.103 17821 4642 1 15 . 1 1 17 17 GLU CA C 17 54.100 54.100 55.534 -1.434 17821 4643 1 15 . 1 1 17 17 GLU CB C 17 27.100 27.100 31.183 -4.083 17821 4644 1 15 . 1 1 17 17 GLU H H 17 8.550 8.550 8.670 -0.120 17821 4645 1 15 . 1 1 18 18 SER N N 18 116.400 116.400 115.504 0.896 17821 4646 1 15 . 1 1 18 18 SER HA H 18 4.310 4.310 4.565 -0.255 17821 4647 1 15 . 1 1 18 18 SER C C 18 171.900 171.900 175.186 -3.286 17821 4648 1 15 . 1 1 18 18 SER CA C 18 55.600 55.600 57.843 -2.243 17821 4649 1 15 . 1 1 18 18 SER CB C 18 60.800 60.800 64.342 -3.542 17821 4650 1 15 . 1 1 18 18 SER H H 18 8.240 8.240 8.518 -0.278 17821 4651 1 15 . 1 1 19 19 GLN N N 19 122.300 122.300 119.180 3.120 17821 4652 1 15 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.432 -0.232 17821 4653 1 15 . 1 1 19 19 GLN C C 19 173.100 173.100 174.953 -1.853 17821 4654 1 15 . 1 1 19 19 GLN CA C 19 53.000 53.000 55.771 -2.771 17821 4655 1 15 . 1 1 19 19 GLN CB C 19 26.500 26.500 27.888 -1.388 17821 4656 1 15 . 1 1 19 19 GLN H H 19 8.310 8.310 8.544 -0.234 17821 4657 1 15 . 1 1 20 20 GLU N N 20 121.600 121.600 119.116 2.484 17821 4658 1 15 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.524 -0.234 17821 4659 1 15 . 1 1 20 20 GLU C C 20 173.500 173.500 175.043 -1.543 17821 4660 1 15 . 1 1 20 20 GLU CA C 20 53.900 53.900 55.580 -1.680 17821 4661 1 15 . 1 1 20 20 GLU CB C 20 27.400 27.400 31.765 -4.365 17821 4662 1 15 . 1 1 20 20 GLU H H 20 8.240 8.240 7.638 0.602 17821 4663 1 15 . 1 1 21 21 LYS N N 21 122.900 122.900 121.940 0.960 17821 4664 1 15 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.251 -0.071 17821 4665 1 15 . 1 1 21 21 LYS C C 21 173.400 173.400 176.407 -3.007 17821 4666 1 15 . 1 1 21 21 LYS CA C 21 53.300 53.300 56.698 -3.398 17821 4667 1 15 . 1 1 21 21 LYS CB C 21 29.800 29.800 32.559 -2.759 17821 4668 1 15 . 1 1 21 21 LYS H H 21 8.260 8.260 8.345 -0.085 17821 4669 1 15 . 1 1 22 22 LYS N N 22 124.000 124.000 125.000 -1.000 17821 4670 1 15 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.708 -0.258 17821 4671 1 15 . 1 1 22 22 LYS C C 22 171.500 171.500 174.569 -3.069 17821 4672 1 15 . 1 1 22 22 LYS CA C 22 51.200 51.200 53.605 -2.405 17821 4673 1 15 . 1 1 22 22 LYS CB C 22 29.500 29.500 32.473 -2.973 17821 4674 1 15 . 1 1 22 22 LYS H H 22 8.220 8.220 8.398 -0.178 17821 4675 1 15 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.448 -0.158 17821 4676 1 15 . 1 1 23 23 PRO CA C 23 60.100 60.100 62.705 -2.604 17821 4677 1 15 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.362 -3.162 17821 4678 1 15 . 1 1 24 24 LEU N N 24 122.700 122.700 124.931 -2.231 17821 4679 1 15 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.413 -0.253 17821 4680 1 15 . 1 1 24 24 LEU C C 24 174.400 174.400 176.319 -1.919 17821 4681 1 15 . 1 1 24 24 LEU CA C 24 52.400 52.400 54.957 -2.557 17821 4682 1 15 . 1 1 24 24 LEU CB C 24 39.600 39.600 41.975 -2.375 17821 4683 1 15 . 1 1 24 24 LEU H H 24 8.270 8.270 8.411 -0.141 17821 4684 1 15 . 1 1 25 25 LYS N N 25 123.400 123.400 127.054 -3.654 17821 4685 1 15 . 1 1 25 25 LYS C C 25 171.600 171.600 174.183 -2.583 17821 4686 1 15 . 1 1 25 25 LYS CA C 25 50.900 50.900 53.705 -2.805 17821 4687 1 15 . 1 1 25 25 LYS CB C 25 29.800 29.800 33.767 -3.966 17821 4688 1 15 . 1 1 25 25 LYS H H 25 8.180 8.180 8.361 -0.181 17821 4689 1 15 . 1 1 28 28 CYS CA C 28 46.000 46.000 58.461 -12.461 17821 4690 1 15 . 1 1 28 28 CYS CB C 28 31.000 31.000 28.554 2.446 17821 4691 1 15 . 1 1 29 29 ALA N N 29 123.800 123.800 123.020 0.780 17821 4692 1 15 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.630 -0.480 17821 4693 1 15 . 1 1 29 29 ALA C C 29 173.200 173.200 175.297 -2.097 17821 4694 1 15 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.765 -2.065 17821 4695 1 15 . 1 1 29 29 ALA CB C 29 17.600 17.600 21.228 -3.628 17821 4696 1 15 . 1 1 29 29 ALA H H 29 8.050 8.050 7.596 0.454 17821 4697 1 15 . 1 1 30 30 SER N N 30 112.800 112.800 112.808 -0.008 17821 4698 1 15 . 1 1 30 30 SER HA H 30 4.580 4.580 5.014 -0.434 17821 4699 1 15 . 1 1 30 30 SER C C 30 173.300 173.300 173.732 -0.432 17821 4700 1 15 . 1 1 30 30 SER CA C 30 52.600 52.600 56.190 -3.590 17821 4701 1 15 . 1 1 30 30 SER CB C 30 59.400 59.400 62.807 -3.407 17821 4702 1 15 . 1 1 30 30 SER H H 30 8.270 8.270 8.811 -0.541 17821 4703 1 15 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.224 -0.064 17821 4704 1 15 . 1 1 31 31 PRO CA C 31 61.800 61.800 65.291 -3.491 17821 4705 1 15 . 1 1 31 31 PRO CB C 31 29.300 29.300 31.686 -2.385 17821 4706 1 15 . 1 1 32 32 GLU N N 32 119.100 119.100 116.691 2.409 17821 4707 1 15 . 1 1 32 32 GLU HA H 32 4.060 4.060 4.069 -0.009 17821 4708 1 15 . 1 1 32 32 GLU C C 32 177.300 177.300 178.876 -1.576 17821 4709 1 15 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.450 -2.550 17821 4710 1 15 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.716 -2.716 17821 4711 1 15 . 1 1 32 32 GLU H H 32 8.720 8.720 9.049 -0.329 17821 4712 1 15 . 1 1 33 33 THR N N 33 110.800 110.800 111.705 -0.905 17821 4713 1 15 . 1 1 33 33 THR HA H 33 4.040 4.040 4.190 -0.150 17821 4714 1 15 . 1 1 33 33 THR C C 33 176.000 176.000 176.658 -0.658 17821 4715 1 15 . 1 1 33 33 THR CA C 33 61.700 61.700 65.633 -3.933 17821 4716 1 15 . 1 1 33 33 THR CB C 33 64.100 64.100 69.266 -5.165 17821 4717 1 15 . 1 1 33 33 THR H H 33 7.620 7.620 8.305 -0.685 17821 4718 1 15 . 1 1 34 34 LYS N N 34 127.100 127.100 121.156 5.944 17821 4719 1 15 . 1 1 34 34 LYS HA H 34 2.920 2.920 4.044 -1.124 17821 4720 1 15 . 1 1 34 34 LYS C C 34 174.300 174.300 178.820 -4.520 17821 4721 1 15 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.260 -1.960 17821 4722 1 15 . 1 1 34 34 LYS CB C 34 30.000 30.000 32.040 -2.040 17821 4723 1 15 . 1 1 34 34 LYS H H 34 7.740 7.740 7.632 0.108 17821 4724 1 15 . 1 1 35 35 LYS N N 35 118.500 118.500 120.587 -2.087 17821 4725 1 15 . 1 1 35 35 LYS HA H 35 3.890 3.890 3.988 -0.098 17821 4726 1 15 . 1 1 35 35 LYS C C 35 176.500 176.500 178.867 -2.367 17821 4727 1 15 . 1 1 35 35 LYS CA C 35 56.700 56.700 59.082 -2.382 17821 4728 1 15 . 1 1 35 35 LYS CB C 35 29.500 29.500 31.908 -2.408 17821 4729 1 15 . 1 1 35 35 LYS H H 35 7.880 7.880 8.269 -0.389 17821 4730 1 15 . 1 1 36 36 ALA N N 36 120.100 120.100 121.544 -1.444 17821 4731 1 15 . 1 1 36 36 ALA HA H 36 4.040 4.040 3.937 0.103 17821 4732 1 15 . 1 1 36 36 ALA C C 36 177.600 177.600 179.272 -1.672 17821 4733 1 15 . 1 1 36 36 ALA CA C 36 52.000 52.000 55.156 -3.155 17821 4734 1 15 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.437 -3.037 17821 4735 1 15 . 1 1 36 36 ALA H H 36 7.490 7.490 7.926 -0.436 17821 4736 1 15 . 1 1 37 37 ARG N N 37 118.500 118.500 118.755 -0.255 17821 4737 1 15 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.945 -0.325 17821 4738 1 15 . 1 1 37 37 ARG C C 37 174.100 174.100 177.899 -3.799 17821 4739 1 15 . 1 1 37 37 ARG CA C 37 56.600 56.600 59.925 -3.325 17821 4740 1 15 . 1 1 37 37 ARG CB C 37 27.100 27.100 30.229 -3.129 17821 4741 1 15 . 1 1 37 37 ARG H H 37 7.630 7.630 8.478 -0.848 17821 4742 1 15 . 1 1 38 38 ASP N N 38 120.200 120.200 119.488 0.712 17821 4743 1 15 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.401 -0.131 17821 4744 1 15 . 1 1 38 38 ASP C C 38 175.500 175.500 178.552 -3.052 17821 4745 1 15 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.303 -2.603 17821 4746 1 15 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.269 -4.069 17821 4747 1 15 . 1 1 38 38 ASP H H 38 8.680 8.680 8.031 0.649 17821 4748 1 15 . 1 1 39 39 ALA N N 39 121.100 121.100 122.517 -1.417 17821 4749 1 15 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.081 -0.071 17821 4750 1 15 . 1 1 39 39 ALA C C 39 176.800 176.800 179.432 -2.632 17821 4751 1 15 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.329 -3.229 17821 4752 1 15 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.220 -3.020 17821 4753 1 15 . 1 1 39 39 ALA H H 39 8.040 8.040 8.213 -0.173 17821 4754 1 15 . 1 1 40 40 CYS N N 40 117.600 117.600 117.978 -0.378 17821 4755 1 15 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.207 -0.027 17821 4756 1 15 . 1 1 40 40 CYS C C 40 173.800 173.800 176.866 -3.066 17821 4757 1 15 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.768 -4.868 17821 4758 1 15 . 1 1 40 40 CYS CB C 40 36.400 36.400 26.048 10.352 17821 4759 1 15 . 1 1 40 40 CYS H H 40 7.340 7.340 7.979 -0.639 17821 4760 1 15 . 1 1 41 41 ILE N N 41 121.500 121.500 120.776 0.724 17821 4761 1 15 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.834 -0.784 17821 4762 1 15 . 1 1 41 41 ILE C C 41 176.100 176.100 178.455 -2.355 17821 4763 1 15 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.509 -1.109 17821 4764 1 15 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.655 -2.355 17821 4765 1 15 . 1 1 41 41 ILE H H 41 8.230 8.230 8.465 -0.235 17821 4766 1 15 . 1 1 42 42 ILE N N 42 119.200 119.200 120.428 -1.228 17821 4767 1 15 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.675 0.015 17821 4768 1 15 . 1 1 42 42 ILE C C 42 174.200 174.200 177.711 -3.511 17821 4769 1 15 . 1 1 42 42 ILE CA C 42 61.300 61.300 64.904 -3.604 17821 4770 1 15 . 1 1 42 42 ILE CB C 42 35.800 35.800 37.949 -2.149 17821 4771 1 15 . 1 1 42 42 ILE H H 42 7.770 7.770 8.017 -0.247 17821 4772 1 15 . 1 1 43 43 GLU N N 43 118.700 118.700 118.288 0.412 17821 4773 1 15 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.187 -0.137 17821 4774 1 15 . 1 1 43 43 GLU C C 43 175.300 175.300 177.581 -2.281 17821 4775 1 15 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.702 -2.402 17821 4776 1 15 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.381 -2.181 17821 4777 1 15 . 1 1 43 43 GLU H H 43 7.600 7.600 8.130 -0.530 17821 4778 1 15 . 1 1 44 44 LYS N N 44 114.600 114.600 114.527 0.073 17821 4779 1 15 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.587 -0.137 17821 4780 1 15 . 1 1 44 44 LYS C C 44 174.500 174.500 175.924 -1.424 17821 4781 1 15 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.675 -2.875 17821 4782 1 15 . 1 1 44 44 LYS CB C 44 32.700 32.700 35.551 -2.852 17821 4783 1 15 . 1 1 44 44 LYS H H 44 8.860 8.860 8.455 0.405 17821 4784 1 15 . 1 1 45 45 GLY N N 45 108.700 108.700 108.547 0.153 17821 4785 1 15 . 1 1 45 45 GLY C C 45 171.000 171.000 174.789 -3.789 17821 4786 1 15 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.526 -3.226 17821 4787 1 15 . 1 1 45 45 GLY H H 45 7.690 7.690 7.872 -0.182 17821 4788 1 15 . 1 1 46 46 GLU N N 46 120.800 120.800 121.508 -0.708 17821 4789 1 15 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.834 -0.394 17821 4790 1 15 . 1 1 46 46 GLU C C 46 175.800 175.800 178.332 -2.532 17821 4791 1 15 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.817 -1.517 17821 4792 1 15 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.451 -2.351 17821 4793 1 15 . 1 1 46 46 GLU H H 46 8.900 8.900 8.875 0.025 17821 4794 1 15 . 1 1 47 47 GLU N N 47 118.700 118.700 116.313 2.387 17821 4795 1 15 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.005 -0.065 17821 4796 1 15 . 1 1 47 47 GLU C C 47 174.300 174.300 177.227 -2.927 17821 4797 1 15 . 1 1 47 47 GLU CA C 47 55.900 55.900 58.085 -2.185 17821 4798 1 15 . 1 1 47 47 GLU CB C 47 25.500 25.500 28.797 -3.297 17821 4799 1 15 . 1 1 47 47 GLU H H 47 9.530 9.530 8.790 0.740 17821 4800 1 15 . 1 1 48 48 HIS N N 48 117.500 117.500 115.608 1.892 17821 4801 1 15 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.864 0.006 17821 4802 1 15 . 1 1 48 48 HIS C C 48 173.300 173.300 174.352 -1.052 17821 4803 1 15 . 1 1 48 48 HIS CA C 48 53.100 53.100 55.638 -2.538 17821 4804 1 15 . 1 1 48 48 HIS CB C 48 28.900 28.900 31.541 -2.641 17821 4805 1 15 . 1 1 48 48 HIS H H 48 7.500 7.500 7.710 -0.210 17821 4806 1 15 . 1 1 49 49 CYS N N 49 116.100 116.100 119.204 -3.104 17821 4807 1 15 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.891 0.159 17821 4808 1 15 . 1 1 49 49 CYS C C 49 173.700 173.700 175.635 -1.935 17821 4809 1 15 . 1 1 49 49 CYS CA C 49 51.700 51.700 57.596 -5.896 17821 4810 1 15 . 1 1 49 49 CYS CB C 49 39.500 39.500 27.070 12.430 17821 4811 1 15 . 1 1 49 49 CYS H H 49 7.460 7.460 7.585 -0.125 17821 4812 1 15 . 1 1 50 50 GLY N N 50 112.900 112.900 110.780 2.120 17821 4813 1 15 . 1 1 50 50 GLY C C 50 172.500 172.500 175.845 -3.345 17821 4814 1 15 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.731 -2.431 17821 4815 1 15 . 1 1 50 50 GLY H H 50 9.150 9.150 8.572 0.578 17821 4816 1 15 . 1 1 51 51 HIS C C 51 175.400 175.400 176.662 -1.262 17821 4817 1 15 . 1 1 51 51 HIS CA C 51 56.400 56.400 58.564 -2.164 17821 4818 1 15 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.741 -3.741 17821 4819 1 15 . 1 1 52 52 LEU N N 52 122.000 122.000 120.871 1.129 17821 4820 1 15 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.031 0.079 17821 4821 1 15 . 1 1 52 52 LEU C C 52 177.700 177.700 178.766 -1.066 17821 4822 1 15 . 1 1 52 52 LEU CA C 52 53.800 53.800 57.112 -3.312 17821 4823 1 15 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.283 -1.783 17821 4824 1 15 . 1 1 52 52 LEU H H 52 6.810 6.810 8.056 -1.246 17821 4825 1 15 . 1 1 53 53 ILE N N 53 124.200 124.200 120.404 3.796 17821 4826 1 15 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.577 -0.147 17821 4827 1 15 . 1 1 53 53 ILE C C 53 176.100 176.100 178.303 -2.203 17821 4828 1 15 . 1 1 53 53 ILE CA C 53 63.200 63.200 66.166 -2.966 17821 4829 1 15 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.885 -1.985 17821 4830 1 15 . 1 1 53 53 ILE H H 53 8.170 8.170 8.371 -0.201 17821 4831 1 15 . 1 1 54 54 GLU N N 54 120.600 120.600 119.993 0.607 17821 4832 1 15 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.999 0.031 17821 4833 1 15 . 1 1 54 54 GLU C C 54 175.400 175.400 178.716 -3.316 17821 4834 1 15 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.789 -3.689 17821 4835 1 15 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.701 -3.701 17821 4836 1 15 . 1 1 54 54 GLU H H 54 8.380 8.380 8.225 0.155 17821 4837 1 15 . 1 1 55 55 ALA N N 55 120.800 120.800 122.479 -1.679 17821 4838 1 15 . 1 1 55 55 ALA HA H 55 4.120 4.120 3.960 0.160 17821 4839 1 15 . 1 1 55 55 ALA C C 55 177.900 177.900 179.055 -1.155 17821 4840 1 15 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.104 -2.904 17821 4841 1 15 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.023 -2.923 17821 4842 1 15 . 1 1 55 55 ALA H H 55 7.880 7.880 8.229 -0.349 17821 4843 1 15 . 1 1 56 56 HIS N N 56 117.400 117.400 119.575 -2.175 17821 4844 1 15 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.184 0.116 17821 4845 1 15 . 1 1 56 56 HIS C C 56 173.500 173.500 177.288 -3.788 17821 4846 1 15 . 1 1 56 56 HIS CA C 56 57.000 57.000 60.260 -3.260 17821 4847 1 15 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.218 -1.918 17821 4848 1 15 . 1 1 56 56 HIS H H 56 7.640 7.640 8.585 -0.945 17821 4849 1 15 . 1 1 57 57 LYS N N 57 119.200 119.200 118.829 0.371 17821 4850 1 15 . 1 1 57 57 LYS HA H 57 3.600 3.600 3.918 -0.318 17821 4851 1 15 . 1 1 57 57 LYS C C 57 176.200 176.200 178.999 -2.799 17821 4852 1 15 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.760 -2.160 17821 4853 1 15 . 1 1 57 57 LYS CB C 57 29.500 29.500 32.062 -2.562 17821 4854 1 15 . 1 1 57 57 LYS H H 57 7.620 7.620 8.203 -0.583 17821 4855 1 15 . 1 1 58 58 GLU N N 58 118.400 118.400 120.053 -1.653 17821 4856 1 15 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.053 -0.083 17821 4857 1 15 . 1 1 58 58 GLU C C 58 176.200 176.200 178.821 -2.621 17821 4858 1 15 . 1 1 58 58 GLU CA C 58 56.200 56.200 58.958 -2.758 17821 4859 1 15 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.321 -3.021 17821 4860 1 15 . 1 1 58 58 GLU H H 58 8.490 8.490 8.382 0.108 17821 4861 1 15 . 1 1 59 59 SER N N 59 116.100 116.100 116.161 -0.061 17821 4862 1 15 . 1 1 59 59 SER HA H 59 4.150 4.150 4.174 -0.024 17821 4863 1 15 . 1 1 59 59 SER CA C 59 58.400 58.400 61.502 -3.102 17821 4864 1 15 . 1 1 59 59 SER CB C 59 60.300 60.300 63.149 -2.849 17821 4865 1 15 . 1 1 59 59 SER H H 59 7.790 7.790 8.119 -0.329 17821 4866 1 15 . 1 1 60 60 MET N N 60 117.500 117.500 119.079 -1.579 17821 4867 1 15 . 1 1 60 60 MET HA H 60 4.170 4.170 3.887 0.283 17821 4868 1 15 . 1 1 60 60 MET C C 60 176.400 176.400 177.960 -1.560 17821 4869 1 15 . 1 1 60 60 MET CA C 60 54.400 54.400 55.831 -1.431 17821 4870 1 15 . 1 1 60 60 MET CB C 60 29.100 29.100 30.812 -1.712 17821 4871 1 15 . 1 1 60 60 MET H H 60 7.880 7.880 8.076 -0.196 17821 4872 1 15 . 1 1 61 61 ARG N N 61 121.300 121.300 120.883 0.417 17821 4873 1 15 . 1 1 61 61 ARG HA H 61 4.170 4.170 3.920 0.250 17821 4874 1 15 . 1 1 61 61 ARG C C 61 177.500 177.500 178.451 -0.951 17821 4875 1 15 . 1 1 61 61 ARG CA C 61 56.100 56.100 59.311 -3.211 17821 4876 1 15 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.225 -2.725 17821 4877 1 15 . 1 1 61 61 ARG H H 61 8.290 8.290 8.075 0.215 17821 4878 1 15 . 1 1 62 62 ALA N N 62 123.200 123.200 121.027 2.173 17821 4879 1 15 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.120 -0.050 17821 4880 1 15 . 1 1 62 62 ALA C C 62 176.400 176.400 178.429 -2.029 17821 4881 1 15 . 1 1 62 62 ALA CA C 62 51.500 51.500 54.166 -2.666 17821 4882 1 15 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.459 -3.360 17821 4883 1 15 . 1 1 62 62 ALA H H 62 7.950 7.950 7.616 0.334 17821 4884 1 15 . 1 1 63 63 LEU N N 63 117.500 117.500 114.351 3.149 17821 4885 1 15 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.164 0.036 17821 4886 1 15 . 1 1 63 63 LEU C C 63 174.400 174.400 177.548 -3.148 17821 4887 1 15 . 1 1 63 63 LEU CA C 63 52.900 52.900 53.875 -0.975 17821 4888 1 15 . 1 1 63 63 LEU CB C 63 39.800 39.800 40.795 -0.995 17821 4889 1 15 . 1 1 63 63 LEU H H 63 7.450 7.450 6.878 0.572 17821 4890 1 15 . 1 1 64 64 GLY N N 64 106.300 106.300 106.917 -0.617 17821 4891 1 15 . 1 1 64 64 GLY C C 64 171.400 171.400 175.315 -3.915 17821 4892 1 15 . 1 1 64 64 GLY CA C 64 42.100 42.100 46.107 -4.007 17821 4893 1 15 . 1 1 64 64 GLY H H 64 7.780 7.780 7.550 0.230 17821 4894 1 15 . 1 1 65 65 PHE N N 65 119.800 119.800 115.135 4.665 17821 4895 1 15 . 1 1 65 65 PHE HA H 65 4.470 4.470 5.002 -0.532 17821 4896 1 15 . 1 1 65 65 PHE C C 65 172.300 172.300 175.015 -2.715 17821 4897 1 15 . 1 1 65 65 PHE CA C 65 54.900 54.900 56.057 -1.157 17821 4898 1 15 . 1 1 65 65 PHE CB C 65 36.900 36.900 39.072 -2.172 17821 4899 1 15 . 1 1 65 65 PHE H H 65 7.840 7.840 7.646 0.194 17821 4900 1 15 . 1 1 66 66 LYS N N 66 124.000 124.000 121.045 2.955 17821 4901 1 15 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.662 -0.402 17821 4902 1 15 . 1 1 66 66 LYS C C 66 172.200 172.200 175.831 -3.631 17821 4903 1 15 . 1 1 66 66 LYS CA C 66 53.200 53.200 55.810 -2.611 17821 4904 1 15 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.597 -4.297 17821 4905 1 15 . 1 1 66 66 LYS H H 66 8.370 8.370 7.785 0.585 17821 4906 1 16 . 1 1 4 4 THR N N 4 117.400 117.400 117.181 0.219 17821 4907 1 16 . 1 1 4 4 THR HA H 4 4.130 4.130 4.590 -0.460 17821 4908 1 16 . 1 1 4 4 THR C C 4 170.800 170.800 173.668 -2.868 17821 4909 1 16 . 1 1 4 4 THR CA C 4 58.800 58.800 61.258 -2.458 17821 4910 1 16 . 1 1 4 4 THR CB C 4 67.000 67.000 69.541 -2.542 17821 4911 1 16 . 1 1 4 4 THR H H 4 7.980 7.980 8.490 -0.510 17821 4912 1 16 . 1 1 5 5 MET N N 5 124.400 124.400 119.945 4.455 17821 4913 1 16 . 1 1 5 5 MET C C 5 171.200 171.200 173.772 -2.572 17821 4914 1 16 . 1 1 5 5 MET CA C 5 50.400 50.400 53.120 -2.720 17821 4915 1 16 . 1 1 5 5 MET CB C 5 29.600 29.600 33.732 -4.132 17821 4916 1 16 . 1 1 5 5 MET H H 5 8.250 8.250 8.228 0.022 17821 4917 1 16 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.347 -0.067 17821 4918 1 16 . 1 1 6 6 PRO CA C 6 60.500 60.500 63.793 -3.293 17821 4919 1 16 . 1 1 6 6 PRO CB C 6 29.200 29.200 31.854 -2.654 17821 4920 1 16 . 1 1 7 7 GLY N N 7 109.000 109.000 112.635 -3.635 17821 4921 1 16 . 1 1 7 7 GLY C C 7 171.200 171.200 175.122 -3.922 17821 4922 1 16 . 1 1 7 7 GLY CA C 7 42.400 42.400 45.209 -2.809 17821 4923 1 16 . 1 1 7 7 GLY H H 7 8.360 8.360 8.529 -0.169 17821 4924 1 16 . 1 1 8 8 LEU N N 8 121.700 121.700 123.126 -1.426 17821 4925 1 16 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.372 -0.112 17821 4926 1 16 . 1 1 8 8 LEU C C 8 174.600 174.600 175.961 -1.361 17821 4927 1 16 . 1 1 8 8 LEU CA C 8 52.300 52.300 54.803 -2.503 17821 4928 1 16 . 1 1 8 8 LEU CB C 8 39.400 39.400 39.745 -0.345 17821 4929 1 16 . 1 1 8 8 LEU H H 8 7.920 7.920 7.726 0.195 17821 4930 1 16 . 1 1 9 9 VAL N N 9 120.900 120.900 123.716 -2.816 17821 4931 1 16 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.282 -0.302 17821 4932 1 16 . 1 1 9 9 VAL C C 9 172.900 172.900 175.169 -2.269 17821 4933 1 16 . 1 1 9 9 VAL CA C 9 59.400 59.400 61.520 -2.120 17821 4934 1 16 . 1 1 9 9 VAL CB C 9 30.000 30.000 33.801 -3.801 17821 4935 1 16 . 1 1 9 9 VAL H H 9 8.050 8.050 7.615 0.435 17821 4936 1 16 . 1 1 10 10 ASP N N 10 124.300 124.300 127.285 -2.985 17821 4937 1 16 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.852 -0.382 17821 4938 1 16 . 1 1 10 10 ASP C C 10 173.100 173.100 175.753 -2.653 17821 4939 1 16 . 1 1 10 10 ASP CA C 10 51.500 51.500 54.343 -2.843 17821 4940 1 16 . 1 1 10 10 ASP CB C 10 38.300 38.300 40.681 -2.381 17821 4941 1 16 . 1 1 10 10 ASP H H 10 8.300 8.300 8.482 -0.182 17821 4942 1 16 . 1 1 11 11 SER N N 11 116.400 116.400 118.100 -1.700 17821 4943 1 16 . 1 1 11 11 SER HA H 11 4.290 4.290 4.537 -0.247 17821 4944 1 16 . 1 1 11 11 SER C C 11 171.200 171.200 175.536 -4.336 17821 4945 1 16 . 1 1 11 11 SER CA C 11 55.500 55.500 57.482 -1.982 17821 4946 1 16 . 1 1 11 11 SER CB C 11 60.900 60.900 64.539 -3.639 17821 4947 1 16 . 1 1 11 11 SER H H 11 8.130 8.130 8.323 -0.193 17821 4948 1 16 . 1 1 12 12 ASN N N 12 121.600 121.600 120.727 0.873 17821 4949 1 16 . 1 1 12 12 ASN HA H 12 4.230 4.230 4.766 -0.536 17821 4950 1 16 . 1 1 12 12 ASN C C 12 170.000 170.000 173.876 -3.876 17821 4951 1 16 . 1 1 12 12 ASN CA C 12 56.500 56.500 53.362 3.138 17821 4952 1 16 . 1 1 12 12 ASN CB C 12 36.000 36.000 37.558 -1.558 17821 4953 1 16 . 1 1 12 12 ASN H H 12 8.360 8.360 8.519 -0.159 17821 4954 1 16 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.368 -0.078 17821 4955 1 16 . 1 1 13 13 PRO CA C 13 60.300 60.300 63.483 -3.183 17821 4956 1 16 . 1 1 13 13 PRO CB C 13 29.200 29.200 31.933 -2.733 17821 4957 1 16 . 1 1 14 14 ALA N N 14 125.700 125.700 121.379 4.321 17821 4958 1 16 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.175 0.235 17821 4959 1 16 . 1 1 14 14 ALA C C 14 172.200 172.200 175.460 -3.260 17821 4960 1 16 . 1 1 14 14 ALA CA C 14 47.500 47.500 51.700 -4.200 17821 4961 1 16 . 1 1 14 14 ALA CB C 14 15.100 15.100 17.535 -2.435 17821 4962 1 16 . 1 1 14 14 ALA H H 14 8.260 8.260 8.310 -0.050 17821 4963 1 16 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.424 -0.144 17821 4964 1 16 . 1 1 16 16 PRO CA C 16 60.500 60.500 63.310 -2.810 17821 4965 1 16 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.013 -2.813 17821 4966 1 16 . 1 1 17 17 GLU N N 17 120.600 120.600 119.629 0.971 17821 4967 1 16 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.036 0.084 17821 4968 1 16 . 1 1 17 17 GLU C C 17 173.900 173.900 175.121 -1.221 17821 4969 1 16 . 1 1 17 17 GLU CA C 17 54.100 54.100 56.465 -2.365 17821 4970 1 16 . 1 1 17 17 GLU CB C 17 27.100 27.100 30.222 -3.122 17821 4971 1 16 . 1 1 17 17 GLU H H 17 8.550 8.550 8.568 -0.018 17821 4972 1 16 . 1 1 18 18 SER N N 18 116.400 116.400 118.910 -2.510 17821 4973 1 16 . 1 1 18 18 SER HA H 18 4.310 4.310 4.493 -0.183 17821 4974 1 16 . 1 1 18 18 SER C C 18 171.900 171.900 174.739 -2.839 17821 4975 1 16 . 1 1 18 18 SER CA C 18 55.600 55.600 58.593 -2.993 17821 4976 1 16 . 1 1 18 18 SER CB C 18 60.800 60.800 62.999 -2.199 17821 4977 1 16 . 1 1 18 18 SER H H 18 8.240 8.240 8.673 -0.433 17821 4978 1 16 . 1 1 19 19 GLN N N 19 122.300 122.300 126.448 -4.148 17821 4979 1 16 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.569 -0.369 17821 4980 1 16 . 1 1 19 19 GLN C C 19 173.100 173.100 174.815 -1.715 17821 4981 1 16 . 1 1 19 19 GLN CA C 19 53.000 53.000 55.631 -2.631 17821 4982 1 16 . 1 1 19 19 GLN CB C 19 26.500 26.500 28.865 -2.365 17821 4983 1 16 . 1 1 19 19 GLN H H 19 8.310 8.310 8.769 -0.459 17821 4984 1 16 . 1 1 20 20 GLU N N 20 121.600 121.600 121.188 0.412 17821 4985 1 16 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.623 -0.333 17821 4986 1 16 . 1 1 20 20 GLU C C 20 173.500 173.500 175.279 -1.779 17821 4987 1 16 . 1 1 20 20 GLU CA C 20 53.900 53.900 55.486 -1.586 17821 4988 1 16 . 1 1 20 20 GLU CB C 20 27.400 27.400 31.331 -3.931 17821 4989 1 16 . 1 1 20 20 GLU H H 20 8.240 8.240 8.204 0.036 17821 4990 1 16 . 1 1 21 21 LYS N N 21 122.900 122.900 123.066 -0.166 17821 4991 1 16 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.579 -0.399 17821 4992 1 16 . 1 1 21 21 LYS C C 21 173.400 173.400 175.307 -1.907 17821 4993 1 16 . 1 1 21 21 LYS CA C 21 53.300 53.300 56.230 -2.930 17821 4994 1 16 . 1 1 21 21 LYS CB C 21 29.800 29.800 33.401 -3.602 17821 4995 1 16 . 1 1 21 21 LYS H H 21 8.260 8.260 8.477 -0.217 17821 4996 1 16 . 1 1 22 22 LYS N N 22 124.000 124.000 126.561 -2.561 17821 4997 1 16 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.632 -0.182 17821 4998 1 16 . 1 1 22 22 LYS C C 22 171.500 171.500 174.289 -2.789 17821 4999 1 16 . 1 1 22 22 LYS CA C 22 51.200 51.200 53.581 -2.381 17821 5000 1 16 . 1 1 22 22 LYS CB C 22 29.500 29.500 32.965 -3.465 17821 5001 1 16 . 1 1 22 22 LYS H H 22 8.220 8.220 8.491 -0.271 17821 5002 1 16 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.562 -0.272 17821 5003 1 16 . 1 1 23 23 PRO CA C 23 60.100 60.100 62.369 -2.269 17821 5004 1 16 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.616 -3.416 17821 5005 1 16 . 1 1 24 24 LEU N N 24 122.700 122.700 122.331 0.369 17821 5006 1 16 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.507 -0.347 17821 5007 1 16 . 1 1 24 24 LEU C C 24 174.400 174.400 176.460 -2.060 17821 5008 1 16 . 1 1 24 24 LEU CA C 24 52.400 52.400 55.072 -2.672 17821 5009 1 16 . 1 1 24 24 LEU CB C 24 39.600 39.600 42.194 -2.594 17821 5010 1 16 . 1 1 24 24 LEU H H 24 8.270 8.270 8.391 -0.121 17821 5011 1 16 . 1 1 25 25 LYS N N 25 123.400 123.400 124.650 -1.250 17821 5012 1 16 . 1 1 25 25 LYS C C 25 171.600 171.600 174.661 -3.061 17821 5013 1 16 . 1 1 25 25 LYS CA C 25 50.900 50.900 54.059 -3.159 17821 5014 1 16 . 1 1 25 25 LYS CB C 25 29.800 29.800 32.434 -2.634 17821 5015 1 16 . 1 1 25 25 LYS H H 25 8.180 8.180 8.009 0.171 17821 5016 1 16 . 1 1 28 28 CYS CA C 28 46.000 46.000 59.049 -13.049 17821 5017 1 16 . 1 1 28 28 CYS CB C 28 31.000 31.000 28.494 2.506 17821 5018 1 16 . 1 1 29 29 ALA N N 29 123.800 123.800 125.306 -1.506 17821 5019 1 16 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.609 -0.459 17821 5020 1 16 . 1 1 29 29 ALA C C 29 173.200 173.200 176.458 -3.258 17821 5021 1 16 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.680 -1.980 17821 5022 1 16 . 1 1 29 29 ALA CB C 29 17.600 17.600 21.063 -3.463 17821 5023 1 16 . 1 1 29 29 ALA H H 29 8.050 8.050 8.072 -0.022 17821 5024 1 16 . 1 1 30 30 SER N N 30 112.800 112.800 115.863 -3.063 17821 5025 1 16 . 1 1 30 30 SER HA H 30 4.580 4.580 4.898 -0.318 17821 5026 1 16 . 1 1 30 30 SER C C 30 173.300 173.300 174.238 -0.938 17821 5027 1 16 . 1 1 30 30 SER CA C 30 52.600 52.600 55.567 -2.967 17821 5028 1 16 . 1 1 30 30 SER CB C 30 59.400 59.400 63.322 -3.922 17821 5029 1 16 . 1 1 30 30 SER H H 30 8.270 8.270 8.250 0.020 17821 5030 1 16 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.203 -0.043 17821 5031 1 16 . 1 1 31 31 PRO CA C 31 61.800 61.800 65.070 -3.270 17821 5032 1 16 . 1 1 31 31 PRO CB C 31 29.300 29.300 32.166 -2.866 17821 5033 1 16 . 1 1 32 32 GLU N N 32 119.100 119.100 118.563 0.537 17821 5034 1 16 . 1 1 32 32 GLU HA H 32 4.060 4.060 4.141 -0.081 17821 5035 1 16 . 1 1 32 32 GLU C C 32 177.300 177.300 178.263 -0.963 17821 5036 1 16 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.988 -3.088 17821 5037 1 16 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.847 -2.847 17821 5038 1 16 . 1 1 32 32 GLU H H 32 8.720 8.720 8.785 -0.065 17821 5039 1 16 . 1 1 33 33 THR N N 33 110.800 110.800 113.248 -2.448 17821 5040 1 16 . 1 1 33 33 THR HA H 33 4.040 4.040 4.118 -0.078 17821 5041 1 16 . 1 1 33 33 THR C C 33 176.000 176.000 176.304 -0.304 17821 5042 1 16 . 1 1 33 33 THR CA C 33 61.700 61.700 65.795 -4.095 17821 5043 1 16 . 1 1 33 33 THR CB C 33 64.100 64.100 68.734 -4.634 17821 5044 1 16 . 1 1 33 33 THR H H 33 7.620 7.620 7.754 -0.134 17821 5045 1 16 . 1 1 34 34 LYS N N 34 127.100 127.100 122.697 4.403 17821 5046 1 16 . 1 1 34 34 LYS HA H 34 2.920 2.920 3.821 -0.901 17821 5047 1 16 . 1 1 34 34 LYS C C 34 174.300 174.300 178.368 -4.068 17821 5048 1 16 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.688 -2.388 17821 5049 1 16 . 1 1 34 34 LYS CB C 34 30.000 30.000 32.448 -2.448 17821 5050 1 16 . 1 1 34 34 LYS H H 34 7.740 7.740 8.131 -0.391 17821 5051 1 16 . 1 1 35 35 LYS N N 35 118.500 118.500 118.865 -0.365 17821 5052 1 16 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.033 -0.143 17821 5053 1 16 . 1 1 35 35 LYS C C 35 176.500 176.500 178.941 -2.441 17821 5054 1 16 . 1 1 35 35 LYS CA C 35 56.700 56.700 59.400 -2.700 17821 5055 1 16 . 1 1 35 35 LYS CB C 35 29.500 29.500 32.099 -2.599 17821 5056 1 16 . 1 1 35 35 LYS H H 35 7.880 7.880 8.216 -0.336 17821 5057 1 16 . 1 1 36 36 ALA N N 36 120.100 120.100 121.535 -1.435 17821 5058 1 16 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.169 -0.129 17821 5059 1 16 . 1 1 36 36 ALA C C 36 177.600 177.600 179.566 -1.966 17821 5060 1 16 . 1 1 36 36 ALA CA C 36 52.000 52.000 54.883 -2.883 17821 5061 1 16 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.366 -2.966 17821 5062 1 16 . 1 1 36 36 ALA H H 36 7.490 7.490 8.052 -0.562 17821 5063 1 16 . 1 1 37 37 ARG N N 37 118.500 118.500 119.020 -0.520 17821 5064 1 16 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.921 -0.301 17821 5065 1 16 . 1 1 37 37 ARG C C 37 174.100 174.100 178.208 -4.108 17821 5066 1 16 . 1 1 37 37 ARG CA C 37 56.600 56.600 58.849 -2.249 17821 5067 1 16 . 1 1 37 37 ARG CB C 37 27.100 27.100 29.203 -2.103 17821 5068 1 16 . 1 1 37 37 ARG H H 37 7.630 7.630 8.157 -0.527 17821 5069 1 16 . 1 1 38 38 ASP N N 38 120.200 120.200 119.183 1.017 17821 5070 1 16 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.363 -0.093 17821 5071 1 16 . 1 1 38 38 ASP C C 38 175.500 175.500 178.584 -3.084 17821 5072 1 16 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.158 -2.458 17821 5073 1 16 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.219 -4.019 17821 5074 1 16 . 1 1 38 38 ASP H H 38 8.680 8.680 8.300 0.380 17821 5075 1 16 . 1 1 39 39 ALA N N 39 121.100 121.100 122.739 -1.639 17821 5076 1 16 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.052 -0.042 17821 5077 1 16 . 1 1 39 39 ALA C C 39 176.800 176.800 179.702 -2.902 17821 5078 1 16 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.419 -3.319 17821 5079 1 16 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.238 -3.038 17821 5080 1 16 . 1 1 39 39 ALA H H 39 8.040 8.040 8.103 -0.063 17821 5081 1 16 . 1 1 40 40 CYS N N 40 117.600 117.600 117.430 0.170 17821 5082 1 16 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.242 -0.062 17821 5083 1 16 . 1 1 40 40 CYS C C 40 173.800 173.800 176.903 -3.103 17821 5084 1 16 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.768 -4.868 17821 5085 1 16 . 1 1 40 40 CYS CB C 40 36.400 36.400 26.033 10.367 17821 5086 1 16 . 1 1 40 40 CYS H H 40 7.340 7.340 8.130 -0.790 17821 5087 1 16 . 1 1 41 41 ILE N N 41 121.500 121.500 121.125 0.375 17821 5088 1 16 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.789 -0.739 17821 5089 1 16 . 1 1 41 41 ILE C C 41 176.100 176.100 178.306 -2.206 17821 5090 1 16 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.246 -0.846 17821 5091 1 16 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.716 -2.416 17821 5092 1 16 . 1 1 41 41 ILE H H 41 8.230 8.230 8.157 0.073 17821 5093 1 16 . 1 1 42 42 ILE N N 42 119.200 119.200 119.960 -0.760 17821 5094 1 16 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.700 -0.010 17821 5095 1 16 . 1 1 42 42 ILE C C 42 174.200 174.200 177.562 -3.362 17821 5096 1 16 . 1 1 42 42 ILE CA C 42 61.300 61.300 64.882 -3.582 17821 5097 1 16 . 1 1 42 42 ILE CB C 42 35.800 35.800 38.024 -2.224 17821 5098 1 16 . 1 1 42 42 ILE H H 42 7.770 7.770 8.290 -0.520 17821 5099 1 16 . 1 1 43 43 GLU N N 43 118.700 118.700 120.207 -1.507 17821 5100 1 16 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.232 -0.182 17821 5101 1 16 . 1 1 43 43 GLU C C 43 175.300 175.300 177.902 -2.602 17821 5102 1 16 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.653 -2.353 17821 5103 1 16 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.124 -1.924 17821 5104 1 16 . 1 1 43 43 GLU H H 43 7.600 7.600 8.122 -0.522 17821 5105 1 16 . 1 1 44 44 LYS N N 44 114.600 114.600 115.147 -0.547 17821 5106 1 16 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.546 -0.096 17821 5107 1 16 . 1 1 44 44 LYS C C 44 174.500 174.500 176.375 -1.875 17821 5108 1 16 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.299 -2.499 17821 5109 1 16 . 1 1 44 44 LYS CB C 44 32.700 32.700 35.097 -2.397 17821 5110 1 16 . 1 1 44 44 LYS H H 44 8.860 8.860 8.210 0.650 17821 5111 1 16 . 1 1 45 45 GLY N N 45 108.700 108.700 108.718 -0.018 17821 5112 1 16 . 1 1 45 45 GLY C C 45 171.000 171.000 174.643 -3.643 17821 5113 1 16 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.424 -3.124 17821 5114 1 16 . 1 1 45 45 GLY H H 45 7.690 7.690 7.975 -0.285 17821 5115 1 16 . 1 1 46 46 GLU N N 46 120.800 120.800 121.973 -1.173 17821 5116 1 16 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.979 -0.539 17821 5117 1 16 . 1 1 46 46 GLU C C 46 175.800 175.800 177.982 -2.182 17821 5118 1 16 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.234 -0.934 17821 5119 1 16 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.666 -2.566 17821 5120 1 16 . 1 1 46 46 GLU H H 46 8.900 8.900 8.879 0.021 17821 5121 1 16 . 1 1 47 47 GLU N N 47 118.700 118.700 117.218 1.482 17821 5122 1 16 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.147 -0.207 17821 5123 1 16 . 1 1 47 47 GLU C C 47 174.300 174.300 177.368 -3.068 17821 5124 1 16 . 1 1 47 47 GLU CA C 47 55.900 55.900 57.015 -1.115 17821 5125 1 16 . 1 1 47 47 GLU CB C 47 25.500 25.500 29.034 -3.534 17821 5126 1 16 . 1 1 47 47 GLU H H 47 9.530 9.530 8.698 0.832 17821 5127 1 16 . 1 1 48 48 HIS N N 48 117.500 117.500 116.039 1.461 17821 5128 1 16 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.839 0.031 17821 5129 1 16 . 1 1 48 48 HIS C C 48 173.300 173.300 174.409 -1.109 17821 5130 1 16 . 1 1 48 48 HIS CA C 48 53.100 53.100 55.818 -2.718 17821 5131 1 16 . 1 1 48 48 HIS CB C 48 28.900 28.900 30.789 -1.889 17821 5132 1 16 . 1 1 48 48 HIS H H 48 7.500 7.500 7.631 -0.131 17821 5133 1 16 . 1 1 49 49 CYS N N 49 116.100 116.100 118.600 -2.500 17821 5134 1 16 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.860 0.190 17821 5135 1 16 . 1 1 49 49 CYS C C 49 173.700 173.700 175.846 -2.146 17821 5136 1 16 . 1 1 49 49 CYS CA C 49 51.700 51.700 57.477 -5.777 17821 5137 1 16 . 1 1 49 49 CYS CB C 49 39.500 39.500 27.026 12.474 17821 5138 1 16 . 1 1 49 49 CYS H H 49 7.460 7.460 7.563 -0.103 17821 5139 1 16 . 1 1 50 50 GLY N N 50 112.900 112.900 110.743 2.157 17821 5140 1 16 . 1 1 50 50 GLY C C 50 172.500 172.500 175.860 -3.360 17821 5141 1 16 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.546 -2.246 17821 5142 1 16 . 1 1 50 50 GLY H H 50 9.150 9.150 8.698 0.452 17821 5143 1 16 . 1 1 51 51 HIS C C 51 175.400 175.400 177.203 -1.803 17821 5144 1 16 . 1 1 51 51 HIS CA C 51 56.400 56.400 58.510 -2.110 17821 5145 1 16 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.504 -3.504 17821 5146 1 16 . 1 1 52 52 LEU N N 52 122.000 122.000 121.998 0.002 17821 5147 1 16 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.212 -0.102 17821 5148 1 16 . 1 1 52 52 LEU C C 52 177.700 177.700 178.723 -1.023 17821 5149 1 16 . 1 1 52 52 LEU CA C 52 53.800 53.800 57.085 -3.285 17821 5150 1 16 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.281 -1.781 17821 5151 1 16 . 1 1 52 52 LEU H H 52 6.810 6.810 7.609 -0.799 17821 5152 1 16 . 1 1 53 53 ILE N N 53 124.200 124.200 120.576 3.624 17821 5153 1 16 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.611 -0.181 17821 5154 1 16 . 1 1 53 53 ILE C C 53 176.100 176.100 178.368 -2.268 17821 5155 1 16 . 1 1 53 53 ILE CA C 53 63.200 63.200 66.070 -2.870 17821 5156 1 16 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.813 -1.913 17821 5157 1 16 . 1 1 53 53 ILE H H 53 8.170 8.170 8.603 -0.433 17821 5158 1 16 . 1 1 54 54 GLU N N 54 120.600 120.600 120.188 0.412 17821 5159 1 16 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.926 0.104 17821 5160 1 16 . 1 1 54 54 GLU C C 54 175.400 175.400 178.616 -3.216 17821 5161 1 16 . 1 1 54 54 GLU CA C 54 56.100 56.100 60.027 -3.927 17821 5162 1 16 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.671 -3.671 17821 5163 1 16 . 1 1 54 54 GLU H H 54 8.380 8.380 8.296 0.084 17821 5164 1 16 . 1 1 55 55 ALA N N 55 120.800 120.800 121.457 -0.657 17821 5165 1 16 . 1 1 55 55 ALA HA H 55 4.120 4.120 4.042 0.078 17821 5166 1 16 . 1 1 55 55 ALA C C 55 177.900 177.900 179.561 -1.661 17821 5167 1 16 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.282 -3.082 17821 5168 1 16 . 1 1 55 55 ALA CB C 55 15.100 15.100 17.822 -2.722 17821 5169 1 16 . 1 1 55 55 ALA H H 55 7.880 7.880 7.988 -0.108 17821 5170 1 16 . 1 1 56 56 HIS N N 56 117.400 117.400 118.854 -1.454 17821 5171 1 16 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.253 0.047 17821 5172 1 16 . 1 1 56 56 HIS C C 56 173.500 173.500 177.397 -3.897 17821 5173 1 16 . 1 1 56 56 HIS CA C 56 57.000 57.000 59.696 -2.696 17821 5174 1 16 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.289 -1.989 17821 5175 1 16 . 1 1 56 56 HIS H H 56 7.640 7.640 8.507 -0.867 17821 5176 1 16 . 1 1 57 57 LYS N N 57 119.200 119.200 118.982 0.218 17821 5177 1 16 . 1 1 57 57 LYS HA H 57 3.600 3.600 3.823 -0.223 17821 5178 1 16 . 1 1 57 57 LYS C C 57 176.200 176.200 178.944 -2.744 17821 5179 1 16 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.555 -1.955 17821 5180 1 16 . 1 1 57 57 LYS CB C 57 29.500 29.500 32.093 -2.593 17821 5181 1 16 . 1 1 57 57 LYS H H 57 7.620 7.620 8.306 -0.686 17821 5182 1 16 . 1 1 58 58 GLU N N 58 118.400 118.400 120.280 -1.880 17821 5183 1 16 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.011 -0.041 17821 5184 1 16 . 1 1 58 58 GLU C C 58 176.200 176.200 178.897 -2.697 17821 5185 1 16 . 1 1 58 58 GLU CA C 58 56.200 56.200 59.033 -2.833 17821 5186 1 16 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.380 -3.080 17821 5187 1 16 . 1 1 58 58 GLU H H 58 8.490 8.490 8.169 0.321 17821 5188 1 16 . 1 1 59 59 SER N N 59 116.100 116.100 115.085 1.015 17821 5189 1 16 . 1 1 59 59 SER HA H 59 4.150 4.150 4.193 -0.043 17821 5190 1 16 . 1 1 59 59 SER CA C 59 58.400 58.400 61.224 -2.824 17821 5191 1 16 . 1 1 59 59 SER CB C 59 60.300 60.300 63.102 -2.802 17821 5192 1 16 . 1 1 59 59 SER H H 59 7.790 7.790 8.190 -0.400 17821 5193 1 16 . 1 1 60 60 MET N N 60 117.500 117.500 121.066 -3.566 17821 5194 1 16 . 1 1 60 60 MET HA H 60 4.170 4.170 4.157 0.013 17821 5195 1 16 . 1 1 60 60 MET C C 60 176.400 176.400 177.641 -1.241 17821 5196 1 16 . 1 1 60 60 MET CA C 60 54.400 54.400 55.519 -1.119 17821 5197 1 16 . 1 1 60 60 MET CB C 60 29.100 29.100 32.167 -3.067 17821 5198 1 16 . 1 1 60 60 MET H H 60 7.880 7.880 8.297 -0.417 17821 5199 1 16 . 1 1 61 61 ARG N N 61 121.300 121.300 121.461 -0.161 17821 5200 1 16 . 1 1 61 61 ARG HA H 61 4.170 4.170 3.939 0.231 17821 5201 1 16 . 1 1 61 61 ARG C C 61 177.500 177.500 178.424 -0.924 17821 5202 1 16 . 1 1 61 61 ARG CA C 61 56.100 56.100 59.114 -3.014 17821 5203 1 16 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.075 -2.575 17821 5204 1 16 . 1 1 61 61 ARG H H 61 8.290 8.290 8.162 0.128 17821 5205 1 16 . 1 1 62 62 ALA N N 62 123.200 123.200 123.004 0.196 17821 5206 1 16 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.096 -0.026 17821 5207 1 16 . 1 1 62 62 ALA C C 62 176.400 176.400 178.319 -1.919 17821 5208 1 16 . 1 1 62 62 ALA CA C 62 51.500 51.500 54.404 -2.904 17821 5209 1 16 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.476 -3.376 17821 5210 1 16 . 1 1 62 62 ALA H H 62 7.950 7.950 7.990 -0.040 17821 5211 1 16 . 1 1 63 63 LEU N N 63 117.500 117.500 116.705 0.795 17821 5212 1 16 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.478 -0.278 17821 5213 1 16 . 1 1 63 63 LEU C C 63 174.400 174.400 177.928 -3.528 17821 5214 1 16 . 1 1 63 63 LEU CA C 63 52.900 52.900 54.333 -1.433 17821 5215 1 16 . 1 1 63 63 LEU CB C 63 39.800 39.800 41.699 -1.899 17821 5216 1 16 . 1 1 63 63 LEU H H 63 7.450 7.450 7.275 0.175 17821 5217 1 16 . 1 1 64 64 GLY N N 64 106.300 106.300 108.355 -2.055 17821 5218 1 16 . 1 1 64 64 GLY C C 64 171.400 171.400 175.186 -3.786 17821 5219 1 16 . 1 1 64 64 GLY CA C 64 42.100 42.100 46.010 -3.910 17821 5220 1 16 . 1 1 64 64 GLY H H 64 7.780 7.780 7.877 -0.097 17821 5221 1 16 . 1 1 65 65 PHE N N 65 119.800 119.800 116.135 3.665 17821 5222 1 16 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.893 -0.423 17821 5223 1 16 . 1 1 65 65 PHE C C 65 172.300 172.300 175.464 -3.164 17821 5224 1 16 . 1 1 65 65 PHE CA C 65 54.900 54.900 56.531 -1.631 17821 5225 1 16 . 1 1 65 65 PHE CB C 65 36.900 36.900 39.095 -2.195 17821 5226 1 16 . 1 1 65 65 PHE H H 65 7.840 7.840 7.422 0.418 17821 5227 1 16 . 1 1 66 66 LYS N N 66 124.000 124.000 121.130 2.870 17821 5228 1 16 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.426 -0.166 17821 5229 1 16 . 1 1 66 66 LYS C C 66 172.200 172.200 175.653 -3.453 17821 5230 1 16 . 1 1 66 66 LYS CA C 66 53.200 53.200 56.867 -3.667 17821 5231 1 16 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.429 -4.129 17821 5232 1 16 . 1 1 66 66 LYS H H 66 8.370 8.370 8.042 0.328 17821 5233 1 17 . 1 1 4 4 THR N N 4 117.400 117.400 116.995 0.405 17821 5234 1 17 . 1 1 4 4 THR HA H 4 4.130 4.130 4.452 -0.322 17821 5235 1 17 . 1 1 4 4 THR C C 4 170.800 170.800 173.779 -2.979 17821 5236 1 17 . 1 1 4 4 THR CA C 4 58.800 58.800 62.351 -3.551 17821 5237 1 17 . 1 1 4 4 THR CB C 4 67.000 67.000 69.177 -2.178 17821 5238 1 17 . 1 1 4 4 THR H H 4 7.980 7.980 8.465 -0.485 17821 5239 1 17 . 1 1 5 5 MET N N 5 124.400 124.400 124.743 -0.343 17821 5240 1 17 . 1 1 5 5 MET C C 5 171.200 171.200 174.252 -3.052 17821 5241 1 17 . 1 1 5 5 MET CA C 5 50.400 50.400 52.607 -2.207 17821 5242 1 17 . 1 1 5 5 MET CB C 5 29.600 29.600 34.681 -5.081 17821 5243 1 17 . 1 1 5 5 MET H H 5 8.250 8.250 8.279 -0.029 17821 5244 1 17 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.676 -0.396 17821 5245 1 17 . 1 1 6 6 PRO CA C 6 60.500 60.500 63.195 -2.695 17821 5246 1 17 . 1 1 6 6 PRO CB C 6 29.200 29.200 32.563 -3.363 17821 5247 1 17 . 1 1 7 7 GLY N N 7 109.000 109.000 108.968 0.032 17821 5248 1 17 . 1 1 7 7 GLY C C 7 171.200 171.200 175.855 -4.655 17821 5249 1 17 . 1 1 7 7 GLY CA C 7 42.400 42.400 45.421 -3.021 17821 5250 1 17 . 1 1 7 7 GLY H H 7 8.360 8.360 8.516 -0.156 17821 5251 1 17 . 1 1 8 8 LEU N N 8 121.700 121.700 121.834 -0.134 17821 5252 1 17 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.329 -0.069 17821 5253 1 17 . 1 1 8 8 LEU C C 8 174.600 174.600 176.120 -1.520 17821 5254 1 17 . 1 1 8 8 LEU CA C 8 52.300 52.300 54.645 -2.345 17821 5255 1 17 . 1 1 8 8 LEU CB C 8 39.400 39.400 40.045 -0.645 17821 5256 1 17 . 1 1 8 8 LEU H H 8 7.920 7.920 8.208 -0.288 17821 5257 1 17 . 1 1 9 9 VAL N N 9 120.900 120.900 116.282 4.618 17821 5258 1 17 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.362 -0.382 17821 5259 1 17 . 1 1 9 9 VAL C C 9 172.900 172.900 175.004 -2.104 17821 5260 1 17 . 1 1 9 9 VAL CA C 9 59.400 59.400 60.661 -1.261 17821 5261 1 17 . 1 1 9 9 VAL CB C 9 30.000 30.000 33.892 -3.892 17821 5262 1 17 . 1 1 9 9 VAL H H 9 8.050 8.050 7.582 0.468 17821 5263 1 17 . 1 1 10 10 ASP N N 10 124.300 124.300 124.370 -0.070 17821 5264 1 17 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.793 -0.323 17821 5265 1 17 . 1 1 10 10 ASP C C 10 173.100 173.100 176.129 -3.029 17821 5266 1 17 . 1 1 10 10 ASP CA C 10 51.500 51.500 53.762 -2.262 17821 5267 1 17 . 1 1 10 10 ASP CB C 10 38.300 38.300 40.536 -2.236 17821 5268 1 17 . 1 1 10 10 ASP H H 10 8.300 8.300 8.618 -0.318 17821 5269 1 17 . 1 1 11 11 SER N N 11 116.400 116.400 119.239 -2.839 17821 5270 1 17 . 1 1 11 11 SER HA H 11 4.290 4.290 4.484 -0.194 17821 5271 1 17 . 1 1 11 11 SER C C 11 171.200 171.200 174.284 -3.084 17821 5272 1 17 . 1 1 11 11 SER CA C 11 55.500 55.500 58.716 -3.216 17821 5273 1 17 . 1 1 11 11 SER CB C 11 60.900 60.900 63.495 -2.595 17821 5274 1 17 . 1 1 11 11 SER H H 11 8.130 8.130 8.729 -0.599 17821 5275 1 17 . 1 1 12 12 ASN N N 12 121.600 121.600 119.392 2.208 17821 5276 1 17 . 1 1 12 12 ASN HA H 12 4.230 4.230 5.086 -0.856 17821 5277 1 17 . 1 1 12 12 ASN C C 12 170.000 170.000 172.728 -2.728 17821 5278 1 17 . 1 1 12 12 ASN CA C 12 56.500 56.500 51.638 4.862 17821 5279 1 17 . 1 1 12 12 ASN CB C 12 36.000 36.000 39.092 -3.092 17821 5280 1 17 . 1 1 12 12 ASN H H 12 8.360 8.360 7.671 0.689 17821 5281 1 17 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.456 -0.166 17821 5282 1 17 . 1 1 13 13 PRO CA C 13 60.300 60.300 62.889 -2.588 17821 5283 1 17 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.261 -3.061 17821 5284 1 17 . 1 1 14 14 ALA N N 14 125.700 125.700 122.840 2.860 17821 5285 1 17 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.393 0.017 17821 5286 1 17 . 1 1 14 14 ALA C C 14 172.200 172.200 176.175 -3.975 17821 5287 1 17 . 1 1 14 14 ALA CA C 14 47.500 47.500 50.946 -3.446 17821 5288 1 17 . 1 1 14 14 ALA CB C 14 15.100 15.100 18.192 -3.092 17821 5289 1 17 . 1 1 14 14 ALA H H 14 8.260 8.260 8.220 0.040 17821 5290 1 17 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.410 -0.130 17821 5291 1 17 . 1 1 16 16 PRO CA C 16 60.500 60.500 63.475 -2.975 17821 5292 1 17 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.350 -3.150 17821 5293 1 17 . 1 1 17 17 GLU N N 17 120.600 120.600 122.408 -1.808 17821 5294 1 17 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.433 -0.313 17821 5295 1 17 . 1 1 17 17 GLU C C 17 173.900 173.900 175.139 -1.239 17821 5296 1 17 . 1 1 17 17 GLU CA C 17 54.100 54.100 56.055 -1.955 17821 5297 1 17 . 1 1 17 17 GLU CB C 17 27.100 27.100 31.902 -4.802 17821 5298 1 17 . 1 1 17 17 GLU H H 17 8.550 8.550 8.397 0.153 17821 5299 1 17 . 1 1 18 18 SER N N 18 116.400 116.400 119.108 -2.708 17821 5300 1 17 . 1 1 18 18 SER HA H 18 4.310 4.310 4.695 -0.385 17821 5301 1 17 . 1 1 18 18 SER C C 18 171.900 171.900 174.639 -2.739 17821 5302 1 17 . 1 1 18 18 SER CA C 18 55.600 55.600 57.749 -2.149 17821 5303 1 17 . 1 1 18 18 SER CB C 18 60.800 60.800 63.504 -2.704 17821 5304 1 17 . 1 1 18 18 SER H H 18 8.240 8.240 8.483 -0.243 17821 5305 1 17 . 1 1 19 19 GLN N N 19 122.300 122.300 123.711 -1.411 17821 5306 1 17 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.299 -0.099 17821 5307 1 17 . 1 1 19 19 GLN C C 19 173.100 173.100 175.614 -2.514 17821 5308 1 17 . 1 1 19 19 GLN CA C 19 53.000 53.000 55.642 -2.642 17821 5309 1 17 . 1 1 19 19 GLN CB C 19 26.500 26.500 29.429 -2.929 17821 5310 1 17 . 1 1 19 19 GLN H H 19 8.310 8.310 8.493 -0.183 17821 5311 1 17 . 1 1 20 20 GLU N N 20 121.600 121.600 122.274 -0.674 17821 5312 1 17 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.395 -0.105 17821 5313 1 17 . 1 1 20 20 GLU C C 20 173.500 173.500 175.907 -2.407 17821 5314 1 17 . 1 1 20 20 GLU CA C 20 53.900 53.900 56.184 -2.284 17821 5315 1 17 . 1 1 20 20 GLU CB C 20 27.400 27.400 29.908 -2.508 17821 5316 1 17 . 1 1 20 20 GLU H H 20 8.240 8.240 8.468 -0.228 17821 5317 1 17 . 1 1 21 21 LYS N N 21 122.900 122.900 124.307 -1.407 17821 5318 1 17 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.419 -0.239 17821 5319 1 17 . 1 1 21 21 LYS C C 21 173.400 173.400 176.047 -2.647 17821 5320 1 17 . 1 1 21 21 LYS CA C 21 53.300 53.300 55.842 -2.542 17821 5321 1 17 . 1 1 21 21 LYS CB C 21 29.800 29.800 33.804 -4.004 17821 5322 1 17 . 1 1 21 21 LYS H H 21 8.260 8.260 8.391 -0.131 17821 5323 1 17 . 1 1 22 22 LYS N N 22 124.000 124.000 125.687 -1.687 17821 5324 1 17 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.540 -0.090 17821 5325 1 17 . 1 1 22 22 LYS C C 22 171.500 171.500 175.730 -4.230 17821 5326 1 17 . 1 1 22 22 LYS CA C 22 51.200 51.200 54.022 -2.822 17821 5327 1 17 . 1 1 22 22 LYS CB C 22 29.500 29.500 31.485 -1.986 17821 5328 1 17 . 1 1 22 22 LYS H H 22 8.220 8.220 8.396 -0.176 17821 5329 1 17 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.438 -0.148 17821 5330 1 17 . 1 1 23 23 PRO CA C 23 60.100 60.100 62.989 -2.889 17821 5331 1 17 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.082 -2.882 17821 5332 1 17 . 1 1 24 24 LEU N N 24 122.700 122.700 116.958 5.742 17821 5333 1 17 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.826 -0.666 17821 5334 1 17 . 1 1 24 24 LEU C C 24 174.400 174.400 175.539 -1.139 17821 5335 1 17 . 1 1 24 24 LEU CA C 24 52.400 52.400 54.304 -1.905 17821 5336 1 17 . 1 1 24 24 LEU CB C 24 39.600 39.600 43.770 -4.170 17821 5337 1 17 . 1 1 24 24 LEU H H 24 8.270 8.270 8.134 0.136 17821 5338 1 17 . 1 1 25 25 LYS N N 25 123.400 123.400 120.333 3.067 17821 5339 1 17 . 1 1 25 25 LYS C C 25 171.600 171.600 174.035 -2.435 17821 5340 1 17 . 1 1 25 25 LYS CA C 25 50.900 50.900 54.385 -3.485 17821 5341 1 17 . 1 1 25 25 LYS CB C 25 29.800 29.800 33.818 -4.018 17821 5342 1 17 . 1 1 25 25 LYS H H 25 8.180 8.180 8.705 -0.525 17821 5343 1 17 . 1 1 28 28 CYS CA C 28 46.000 46.000 59.349 -13.349 17821 5344 1 17 . 1 1 28 28 CYS CB C 28 31.000 31.000 26.561 4.439 17821 5345 1 17 . 1 1 29 29 ALA N N 29 123.800 123.800 122.345 1.455 17821 5346 1 17 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.544 -0.394 17821 5347 1 17 . 1 1 29 29 ALA C C 29 173.200 173.200 175.873 -2.673 17821 5348 1 17 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.477 -1.777 17821 5349 1 17 . 1 1 29 29 ALA CB C 29 17.600 17.600 21.024 -3.424 17821 5350 1 17 . 1 1 29 29 ALA H H 29 8.050 8.050 7.643 0.407 17821 5351 1 17 . 1 1 30 30 SER N N 30 112.800 112.800 116.577 -3.777 17821 5352 1 17 . 1 1 30 30 SER HA H 30 4.580 4.580 5.024 -0.444 17821 5353 1 17 . 1 1 30 30 SER C C 30 173.300 173.300 173.906 -0.606 17821 5354 1 17 . 1 1 30 30 SER CA C 30 52.600 52.600 54.825 -2.225 17821 5355 1 17 . 1 1 30 30 SER CB C 30 59.400 59.400 63.169 -3.769 17821 5356 1 17 . 1 1 30 30 SER H H 30 8.270 8.270 8.891 -0.621 17821 5357 1 17 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.257 -0.097 17821 5358 1 17 . 1 1 31 31 PRO CA C 31 61.800 61.800 65.143 -3.343 17821 5359 1 17 . 1 1 31 31 PRO CB C 31 29.300 29.300 32.091 -2.791 17821 5360 1 17 . 1 1 32 32 GLU N N 32 119.100 119.100 117.517 1.583 17821 5361 1 17 . 1 1 32 32 GLU HA H 32 4.060 4.060 3.976 0.084 17821 5362 1 17 . 1 1 32 32 GLU C C 32 177.300 177.300 178.228 -0.928 17821 5363 1 17 . 1 1 32 32 GLU CA C 32 56.900 56.900 60.440 -3.540 17821 5364 1 17 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.725 -2.725 17821 5365 1 17 . 1 1 32 32 GLU H H 32 8.720 8.720 8.839 -0.119 17821 5366 1 17 . 1 1 33 33 THR N N 33 110.800 110.800 112.819 -2.019 17821 5367 1 17 . 1 1 33 33 THR HA H 33 4.040 4.040 4.144 -0.104 17821 5368 1 17 . 1 1 33 33 THR C C 33 176.000 176.000 176.466 -0.466 17821 5369 1 17 . 1 1 33 33 THR CA C 33 61.700 61.700 65.568 -3.868 17821 5370 1 17 . 1 1 33 33 THR CB C 33 64.100 64.100 68.428 -4.328 17821 5371 1 17 . 1 1 33 33 THR H H 33 7.620 7.620 7.710 -0.090 17821 5372 1 17 . 1 1 34 34 LYS N N 34 127.100 127.100 123.084 4.016 17821 5373 1 17 . 1 1 34 34 LYS HA H 34 2.920 2.920 3.871 -0.951 17821 5374 1 17 . 1 1 34 34 LYS C C 34 174.300 174.300 178.777 -4.477 17821 5375 1 17 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.990 -2.691 17821 5376 1 17 . 1 1 34 34 LYS CB C 34 30.000 30.000 32.456 -2.456 17821 5377 1 17 . 1 1 34 34 LYS H H 34 7.740 7.740 8.213 -0.473 17821 5378 1 17 . 1 1 35 35 LYS N N 35 118.500 118.500 118.608 -0.108 17821 5379 1 17 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.347 -0.457 17821 5380 1 17 . 1 1 35 35 LYS C C 35 176.500 176.500 178.940 -2.440 17821 5381 1 17 . 1 1 35 35 LYS CA C 35 56.700 56.700 58.586 -1.886 17821 5382 1 17 . 1 1 35 35 LYS CB C 35 29.500 29.500 32.122 -2.622 17821 5383 1 17 . 1 1 35 35 LYS H H 35 7.880 7.880 8.241 -0.361 17821 5384 1 17 . 1 1 36 36 ALA N N 36 120.100 120.100 123.402 -3.302 17821 5385 1 17 . 1 1 36 36 ALA HA H 36 4.040 4.040 3.999 0.041 17821 5386 1 17 . 1 1 36 36 ALA C C 36 177.600 177.600 178.921 -1.321 17821 5387 1 17 . 1 1 36 36 ALA CA C 36 52.000 52.000 55.498 -3.498 17821 5388 1 17 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.507 -3.107 17821 5389 1 17 . 1 1 36 36 ALA H H 36 7.490 7.490 8.345 -0.855 17821 5390 1 17 . 1 1 37 37 ARG N N 37 118.500 118.500 118.823 -0.323 17821 5391 1 17 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.912 -0.292 17821 5392 1 17 . 1 1 37 37 ARG C C 37 174.100 174.100 177.941 -3.841 17821 5393 1 17 . 1 1 37 37 ARG CA C 37 56.600 56.600 59.724 -3.124 17821 5394 1 17 . 1 1 37 37 ARG CB C 37 27.100 27.100 30.032 -2.932 17821 5395 1 17 . 1 1 37 37 ARG H H 37 7.630 7.630 8.149 -0.519 17821 5396 1 17 . 1 1 38 38 ASP N N 38 120.200 120.200 119.652 0.548 17821 5397 1 17 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.313 -0.043 17821 5398 1 17 . 1 1 38 38 ASP C C 38 175.500 175.500 178.475 -2.975 17821 5399 1 17 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.295 -2.595 17821 5400 1 17 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.234 -4.034 17821 5401 1 17 . 1 1 38 38 ASP H H 38 8.680 8.680 8.314 0.366 17821 5402 1 17 . 1 1 39 39 ALA N N 39 121.100 121.100 122.364 -1.264 17821 5403 1 17 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.077 -0.067 17821 5404 1 17 . 1 1 39 39 ALA C C 39 176.800 176.800 179.669 -2.869 17821 5405 1 17 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.272 -3.172 17821 5406 1 17 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.262 -3.062 17821 5407 1 17 . 1 1 39 39 ALA H H 39 8.040 8.040 8.181 -0.141 17821 5408 1 17 . 1 1 40 40 CYS N N 40 117.600 117.600 117.930 -0.330 17821 5409 1 17 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.180 0.000 17821 5410 1 17 . 1 1 40 40 CYS C C 40 173.800 173.800 176.834 -3.034 17821 5411 1 17 . 1 1 40 40 CYS CA C 40 57.900 57.900 63.109 -5.209 17821 5412 1 17 . 1 1 40 40 CYS CB C 40 36.400 36.400 26.017 10.383 17821 5413 1 17 . 1 1 40 40 CYS H H 40 7.340 7.340 8.327 -0.987 17821 5414 1 17 . 1 1 41 41 ILE N N 41 121.500 121.500 120.836 0.664 17821 5415 1 17 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.867 -0.817 17821 5416 1 17 . 1 1 41 41 ILE C C 41 176.100 176.100 178.221 -2.121 17821 5417 1 17 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.563 -1.163 17821 5418 1 17 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.693 -2.393 17821 5419 1 17 . 1 1 41 41 ILE H H 41 8.230 8.230 8.410 -0.180 17821 5420 1 17 . 1 1 42 42 ILE N N 42 119.200 119.200 119.837 -0.637 17821 5421 1 17 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.753 -0.063 17821 5422 1 17 . 1 1 42 42 ILE C C 42 174.200 174.200 177.881 -3.681 17821 5423 1 17 . 1 1 42 42 ILE CA C 42 61.300 61.300 64.065 -2.765 17821 5424 1 17 . 1 1 42 42 ILE CB C 42 35.800 35.800 36.898 -1.098 17821 5425 1 17 . 1 1 42 42 ILE H H 42 7.770 7.770 8.156 -0.386 17821 5426 1 17 . 1 1 43 43 GLU N N 43 118.700 118.700 119.626 -0.926 17821 5427 1 17 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.143 -0.093 17821 5428 1 17 . 1 1 43 43 GLU C C 43 175.300 175.300 177.963 -2.663 17821 5429 1 17 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.971 -2.671 17821 5430 1 17 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.355 -2.155 17821 5431 1 17 . 1 1 43 43 GLU H H 43 7.600 7.600 8.243 -0.643 17821 5432 1 17 . 1 1 44 44 LYS N N 44 114.600 114.600 114.075 0.525 17821 5433 1 17 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.607 -0.157 17821 5434 1 17 . 1 1 44 44 LYS C C 44 174.500 174.500 175.859 -1.359 17821 5435 1 17 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.107 -2.307 17821 5436 1 17 . 1 1 44 44 LYS CB C 44 32.700 32.700 35.271 -2.571 17821 5437 1 17 . 1 1 44 44 LYS H H 44 8.860 8.860 8.496 0.364 17821 5438 1 17 . 1 1 45 45 GLY N N 45 108.700 108.700 108.748 -0.048 17821 5439 1 17 . 1 1 45 45 GLY C C 45 171.000 171.000 174.865 -3.865 17821 5440 1 17 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.657 -3.357 17821 5441 1 17 . 1 1 45 45 GLY H H 45 7.690 7.690 7.569 0.121 17821 5442 1 17 . 1 1 46 46 GLU N N 46 120.800 120.800 120.873 -0.073 17821 5443 1 17 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.810 -0.370 17821 5444 1 17 . 1 1 46 46 GLU C C 46 175.800 175.800 178.497 -2.697 17821 5445 1 17 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.652 -1.352 17821 5446 1 17 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.499 -2.399 17821 5447 1 17 . 1 1 46 46 GLU H H 46 8.900 8.900 8.862 0.038 17821 5448 1 17 . 1 1 47 47 GLU N N 47 118.700 118.700 118.188 0.512 17821 5449 1 17 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.020 -0.080 17821 5450 1 17 . 1 1 47 47 GLU C C 47 174.300 174.300 176.970 -2.670 17821 5451 1 17 . 1 1 47 47 GLU CA C 47 55.900 55.900 58.196 -2.296 17821 5452 1 17 . 1 1 47 47 GLU CB C 47 25.500 25.500 28.581 -3.081 17821 5453 1 17 . 1 1 47 47 GLU H H 47 9.530 9.530 8.961 0.569 17821 5454 1 17 . 1 1 48 48 HIS N N 48 117.500 117.500 114.145 3.355 17821 5455 1 17 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.779 0.091 17821 5456 1 17 . 1 1 48 48 HIS C C 48 173.300 173.300 174.614 -1.314 17821 5457 1 17 . 1 1 48 48 HIS CA C 48 53.100 53.100 55.798 -2.698 17821 5458 1 17 . 1 1 48 48 HIS CB C 48 28.900 28.900 31.892 -2.992 17821 5459 1 17 . 1 1 48 48 HIS H H 48 7.500 7.500 7.746 -0.246 17821 5460 1 17 . 1 1 49 49 CYS N N 49 116.100 116.100 119.891 -3.791 17821 5461 1 17 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.975 0.075 17821 5462 1 17 . 1 1 49 49 CYS C C 49 173.700 173.700 175.334 -1.634 17821 5463 1 17 . 1 1 49 49 CYS CA C 49 51.700 51.700 57.865 -6.165 17821 5464 1 17 . 1 1 49 49 CYS CB C 49 39.500 39.500 26.795 12.705 17821 5465 1 17 . 1 1 49 49 CYS H H 49 7.460 7.460 8.124 -0.664 17821 5466 1 17 . 1 1 50 50 GLY N N 50 112.900 112.900 109.380 3.520 17821 5467 1 17 . 1 1 50 50 GLY C C 50 172.500 172.500 175.810 -3.310 17821 5468 1 17 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.201 -1.901 17821 5469 1 17 . 1 1 50 50 GLY H H 50 9.150 9.150 8.796 0.354 17821 5470 1 17 . 1 1 51 51 HIS C C 51 175.400 175.400 176.831 -1.431 17821 5471 1 17 . 1 1 51 51 HIS CA C 51 56.400 56.400 59.367 -2.966 17821 5472 1 17 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.791 -3.791 17821 5473 1 17 . 1 1 52 52 LEU N N 52 122.000 122.000 120.713 1.287 17821 5474 1 17 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.209 -0.099 17821 5475 1 17 . 1 1 52 52 LEU C C 52 177.700 177.700 179.105 -1.405 17821 5476 1 17 . 1 1 52 52 LEU CA C 52 53.800 53.800 56.986 -3.186 17821 5477 1 17 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.319 -1.819 17821 5478 1 17 . 1 1 52 52 LEU H H 52 6.810 6.810 8.068 -1.258 17821 5479 1 17 . 1 1 53 53 ILE N N 53 124.200 124.200 120.821 3.379 17821 5480 1 17 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.609 -0.179 17821 5481 1 17 . 1 1 53 53 ILE C C 53 176.100 176.100 178.307 -2.207 17821 5482 1 17 . 1 1 53 53 ILE CA C 53 63.200 63.200 66.110 -2.910 17821 5483 1 17 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.876 -1.976 17821 5484 1 17 . 1 1 53 53 ILE H H 53 8.170 8.170 8.360 -0.190 17821 5485 1 17 . 1 1 54 54 GLU N N 54 120.600 120.600 120.238 0.362 17821 5486 1 17 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.946 0.084 17821 5487 1 17 . 1 1 54 54 GLU C C 54 175.400 175.400 178.702 -3.302 17821 5488 1 17 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.906 -3.806 17821 5489 1 17 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.681 -3.681 17821 5490 1 17 . 1 1 54 54 GLU H H 54 8.380 8.380 8.186 0.194 17821 5491 1 17 . 1 1 55 55 ALA N N 55 120.800 120.800 121.372 -0.572 17821 5492 1 17 . 1 1 55 55 ALA HA H 55 4.120 4.120 4.060 0.060 17821 5493 1 17 . 1 1 55 55 ALA C C 55 177.900 177.900 179.395 -1.495 17821 5494 1 17 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.273 -3.073 17821 5495 1 17 . 1 1 55 55 ALA CB C 55 15.100 15.100 17.897 -2.797 17821 5496 1 17 . 1 1 55 55 ALA H H 55 7.880 7.880 8.367 -0.487 17821 5497 1 17 . 1 1 56 56 HIS N N 56 117.400 117.400 119.308 -1.908 17821 5498 1 17 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.312 -0.012 17821 5499 1 17 . 1 1 56 56 HIS C C 56 173.500 173.500 177.472 -3.972 17821 5500 1 17 . 1 1 56 56 HIS CA C 56 57.000 57.000 59.722 -2.722 17821 5501 1 17 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.433 -2.133 17821 5502 1 17 . 1 1 56 56 HIS H H 56 7.640 7.640 8.564 -0.924 17821 5503 1 17 . 1 1 57 57 LYS N N 57 119.200 119.200 119.036 0.164 17821 5504 1 17 . 1 1 57 57 LYS HA H 57 3.600 3.600 3.921 -0.321 17821 5505 1 17 . 1 1 57 57 LYS C C 57 176.200 176.200 178.918 -2.718 17821 5506 1 17 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.472 -1.872 17821 5507 1 17 . 1 1 57 57 LYS CB C 57 29.500 29.500 32.100 -2.600 17821 5508 1 17 . 1 1 57 57 LYS H H 57 7.620 7.620 8.224 -0.604 17821 5509 1 17 . 1 1 58 58 GLU N N 58 118.400 118.400 120.636 -2.236 17821 5510 1 17 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.037 -0.067 17821 5511 1 17 . 1 1 58 58 GLU C C 58 176.200 176.200 179.014 -2.814 17821 5512 1 17 . 1 1 58 58 GLU CA C 58 56.200 56.200 59.154 -2.954 17821 5513 1 17 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.442 -3.142 17821 5514 1 17 . 1 1 58 58 GLU H H 58 8.490 8.490 8.566 -0.076 17821 5515 1 17 . 1 1 59 59 SER N N 59 116.100 116.100 116.043 0.057 17821 5516 1 17 . 1 1 59 59 SER HA H 59 4.150 4.150 4.111 0.039 17821 5517 1 17 . 1 1 59 59 SER CA C 59 58.400 58.400 61.927 -3.527 17821 5518 1 17 . 1 1 59 59 SER CB C 59 60.300 60.300 63.022 -2.722 17821 5519 1 17 . 1 1 59 59 SER H H 59 7.790 7.790 8.344 -0.554 17821 5520 1 17 . 1 1 60 60 MET N N 60 117.500 117.500 119.538 -2.038 17821 5521 1 17 . 1 1 60 60 MET HA H 60 4.170 4.170 3.930 0.240 17821 5522 1 17 . 1 1 60 60 MET C C 60 176.400 176.400 177.455 -1.055 17821 5523 1 17 . 1 1 60 60 MET CA C 60 54.400 54.400 56.510 -2.110 17821 5524 1 17 . 1 1 60 60 MET CB C 60 29.100 29.100 32.047 -2.947 17821 5525 1 17 . 1 1 60 60 MET H H 60 7.880 7.880 8.071 -0.191 17821 5526 1 17 . 1 1 61 61 ARG N N 61 121.300 121.300 120.186 1.114 17821 5527 1 17 . 1 1 61 61 ARG HA H 61 4.170 4.170 3.906 0.264 17821 5528 1 17 . 1 1 61 61 ARG C C 61 177.500 177.500 178.227 -0.727 17821 5529 1 17 . 1 1 61 61 ARG CA C 61 56.100 56.100 58.941 -2.841 17821 5530 1 17 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.161 -2.661 17821 5531 1 17 . 1 1 61 61 ARG H H 61 8.290 8.290 8.129 0.161 17821 5532 1 17 . 1 1 62 62 ALA N N 62 123.200 123.200 121.315 1.885 17821 5533 1 17 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.148 -0.078 17821 5534 1 17 . 1 1 62 62 ALA C C 62 176.400 176.400 179.315 -2.915 17821 5535 1 17 . 1 1 62 62 ALA CA C 62 51.500 51.500 53.836 -2.336 17821 5536 1 17 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.436 -3.336 17821 5537 1 17 . 1 1 62 62 ALA H H 62 7.950 7.950 7.764 0.186 17821 5538 1 17 . 1 1 63 63 LEU N N 63 117.500 117.500 117.082 0.418 17821 5539 1 17 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.243 -0.043 17821 5540 1 17 . 1 1 63 63 LEU C C 63 174.400 174.400 177.815 -3.415 17821 5541 1 17 . 1 1 63 63 LEU CA C 63 52.900 52.900 55.195 -2.295 17821 5542 1 17 . 1 1 63 63 LEU CB C 63 39.800 39.800 40.995 -1.195 17821 5543 1 17 . 1 1 63 63 LEU H H 63 7.450 7.450 7.700 -0.250 17821 5544 1 17 . 1 1 64 64 GLY N N 64 106.300 106.300 107.929 -1.629 17821 5545 1 17 . 1 1 64 64 GLY C C 64 171.400 171.400 175.580 -4.180 17821 5546 1 17 . 1 1 64 64 GLY CA C 64 42.100 42.100 46.128 -4.028 17821 5547 1 17 . 1 1 64 64 GLY H H 64 7.780 7.780 7.513 0.267 17821 5548 1 17 . 1 1 65 65 PHE N N 65 119.800 119.800 117.856 1.944 17821 5549 1 17 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.795 -0.325 17821 5550 1 17 . 1 1 65 65 PHE C C 65 172.300 172.300 176.629 -4.329 17821 5551 1 17 . 1 1 65 65 PHE CA C 65 54.900 54.900 56.733 -1.833 17821 5552 1 17 . 1 1 65 65 PHE CB C 65 36.900 36.900 38.725 -1.825 17821 5553 1 17 . 1 1 65 65 PHE H H 65 7.840 7.840 7.658 0.182 17821 5554 1 17 . 1 1 66 66 LYS N N 66 124.000 124.000 122.147 1.853 17821 5555 1 17 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.245 0.015 17821 5556 1 17 . 1 1 66 66 LYS C C 66 172.200 172.200 176.484 -4.284 17821 5557 1 17 . 1 1 66 66 LYS CA C 66 53.200 53.200 57.488 -4.288 17821 5558 1 17 . 1 1 66 66 LYS CB C 66 29.300 29.300 32.618 -3.318 17821 5559 1 17 . 1 1 66 66 LYS H H 66 8.370 8.370 7.773 0.597 17821 5560 1 18 . 1 1 4 4 THR N N 4 117.400 117.400 113.349 4.051 17821 5561 1 18 . 1 1 4 4 THR HA H 4 4.130 4.130 4.538 -0.408 17821 5562 1 18 . 1 1 4 4 THR C C 4 170.800 170.800 173.889 -3.089 17821 5563 1 18 . 1 1 4 4 THR CA C 4 58.800 58.800 61.070 -2.270 17821 5564 1 18 . 1 1 4 4 THR CB C 4 67.000 67.000 70.960 -3.960 17821 5565 1 18 . 1 1 4 4 THR H H 4 7.980 7.980 7.573 0.407 17821 5566 1 18 . 1 1 5 5 MET N N 5 124.400 124.400 121.038 3.362 17821 5567 1 18 . 1 1 5 5 MET C C 5 171.200 171.200 174.774 -3.574 17821 5568 1 18 . 1 1 5 5 MET CA C 5 50.400 50.400 54.520 -4.120 17821 5569 1 18 . 1 1 5 5 MET CB C 5 29.600 29.600 32.296 -2.696 17821 5570 1 18 . 1 1 5 5 MET H H 5 8.250 8.250 8.271 -0.021 17821 5571 1 18 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.485 -0.205 17821 5572 1 18 . 1 1 6 6 PRO CA C 6 60.500 60.500 63.334 -2.834 17821 5573 1 18 . 1 1 6 6 PRO CB C 6 29.200 29.200 31.990 -2.790 17821 5574 1 18 . 1 1 7 7 GLY N N 7 109.000 109.000 106.999 2.001 17821 5575 1 18 . 1 1 7 7 GLY C C 7 171.200 171.200 174.643 -3.443 17821 5576 1 18 . 1 1 7 7 GLY CA C 7 42.400 42.400 44.593 -2.193 17821 5577 1 18 . 1 1 7 7 GLY H H 7 8.360 8.360 8.462 -0.102 17821 5578 1 18 . 1 1 8 8 LEU N N 8 121.700 121.700 123.618 -1.918 17821 5579 1 18 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.559 -0.299 17821 5580 1 18 . 1 1 8 8 LEU C C 8 174.600 174.600 176.833 -2.233 17821 5581 1 18 . 1 1 8 8 LEU CA C 8 52.300 52.300 55.252 -2.952 17821 5582 1 18 . 1 1 8 8 LEU CB C 8 39.400 39.400 39.826 -0.426 17821 5583 1 18 . 1 1 8 8 LEU H H 8 7.920 7.920 8.183 -0.263 17821 5584 1 18 . 1 1 9 9 VAL N N 9 120.900 120.900 120.153 0.747 17821 5585 1 18 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.549 -0.569 17821 5586 1 18 . 1 1 9 9 VAL C C 9 172.900 172.900 174.704 -1.804 17821 5587 1 18 . 1 1 9 9 VAL CA C 9 59.400 59.400 60.268 -0.868 17821 5588 1 18 . 1 1 9 9 VAL CB C 9 30.000 30.000 35.213 -5.213 17821 5589 1 18 . 1 1 9 9 VAL H H 9 8.050 8.050 7.778 0.272 17821 5590 1 18 . 1 1 10 10 ASP N N 10 124.300 124.300 121.517 2.783 17821 5591 1 18 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.898 -0.428 17821 5592 1 18 . 1 1 10 10 ASP C C 10 173.100 173.100 176.096 -2.996 17821 5593 1 18 . 1 1 10 10 ASP CA C 10 51.500 51.500 53.565 -2.065 17821 5594 1 18 . 1 1 10 10 ASP CB C 10 38.300 38.300 41.622 -3.322 17821 5595 1 18 . 1 1 10 10 ASP H H 10 8.300 8.300 8.216 0.084 17821 5596 1 18 . 1 1 11 11 SER N N 11 116.400 116.400 116.706 -0.306 17821 5597 1 18 . 1 1 11 11 SER HA H 11 4.290 4.290 4.152 0.138 17821 5598 1 18 . 1 1 11 11 SER C C 11 171.200 171.200 173.188 -1.988 17821 5599 1 18 . 1 1 11 11 SER CA C 11 55.500 55.500 58.519 -3.019 17821 5600 1 18 . 1 1 11 11 SER CB C 11 60.900 60.900 63.664 -2.764 17821 5601 1 18 . 1 1 11 11 SER H H 11 8.130 8.130 8.457 -0.327 17821 5602 1 18 . 1 1 12 12 ASN N N 12 121.600 121.600 120.206 1.394 17821 5603 1 18 . 1 1 12 12 ASN HA H 12 4.230 4.230 5.018 -0.788 17821 5604 1 18 . 1 1 12 12 ASN C C 12 170.000 170.000 172.792 -2.792 17821 5605 1 18 . 1 1 12 12 ASN CA C 12 56.500 56.500 51.224 5.276 17821 5606 1 18 . 1 1 12 12 ASN CB C 12 36.000 36.000 39.024 -3.024 17821 5607 1 18 . 1 1 12 12 ASN H H 12 8.360 8.360 8.274 0.086 17821 5608 1 18 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.316 -0.026 17821 5609 1 18 . 1 1 13 13 PRO CA C 13 60.300 60.300 63.209 -2.909 17821 5610 1 18 . 1 1 13 13 PRO CB C 13 29.200 29.200 31.947 -2.747 17821 5611 1 18 . 1 1 14 14 ALA N N 14 125.700 125.700 125.792 -0.092 17821 5612 1 18 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.258 0.152 17821 5613 1 18 . 1 1 14 14 ALA C C 14 172.200 172.200 175.669 -3.469 17821 5614 1 18 . 1 1 14 14 ALA CA C 14 47.500 47.500 51.558 -4.058 17821 5615 1 18 . 1 1 14 14 ALA CB C 14 15.100 15.100 18.088 -2.988 17821 5616 1 18 . 1 1 14 14 ALA H H 14 8.260 8.260 8.179 0.081 17821 5617 1 18 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.601 -0.321 17821 5618 1 18 . 1 1 16 16 PRO CA C 16 60.500 60.500 62.940 -2.440 17821 5619 1 18 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.636 -3.436 17821 5620 1 18 . 1 1 17 17 GLU N N 17 120.600 120.600 119.198 1.402 17821 5621 1 18 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.837 -0.717 17821 5622 1 18 . 1 1 17 17 GLU C C 17 173.900 173.900 174.940 -1.040 17821 5623 1 18 . 1 1 17 17 GLU CA C 17 54.100 54.100 55.350 -1.250 17821 5624 1 18 . 1 1 17 17 GLU CB C 17 27.100 27.100 31.697 -4.597 17821 5625 1 18 . 1 1 17 17 GLU H H 17 8.550 8.550 8.909 -0.359 17821 5626 1 18 . 1 1 18 18 SER N N 18 116.400 116.400 114.791 1.609 17821 5627 1 18 . 1 1 18 18 SER HA H 18 4.310 4.310 4.712 -0.402 17821 5628 1 18 . 1 1 18 18 SER C C 18 171.900 171.900 173.450 -1.550 17821 5629 1 18 . 1 1 18 18 SER CA C 18 55.600 55.600 57.378 -1.778 17821 5630 1 18 . 1 1 18 18 SER CB C 18 60.800 60.800 66.155 -5.355 17821 5631 1 18 . 1 1 18 18 SER H H 18 8.240 8.240 8.741 -0.501 17821 5632 1 18 . 1 1 19 19 GLN N N 19 122.300 122.300 120.682 1.618 17821 5633 1 18 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.401 -0.201 17821 5634 1 18 . 1 1 19 19 GLN C C 19 173.100 173.100 175.403 -2.303 17821 5635 1 18 . 1 1 19 19 GLN CA C 19 53.000 53.000 55.687 -2.687 17821 5636 1 18 . 1 1 19 19 GLN CB C 19 26.500 26.500 28.899 -2.399 17821 5637 1 18 . 1 1 19 19 GLN H H 19 8.310 8.310 8.627 -0.317 17821 5638 1 18 . 1 1 20 20 GLU N N 20 121.600 121.600 121.483 0.117 17821 5639 1 18 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.392 -0.102 17821 5640 1 18 . 1 1 20 20 GLU C C 20 173.500 173.500 176.237 -2.737 17821 5641 1 18 . 1 1 20 20 GLU CA C 20 53.900 53.900 56.107 -2.207 17821 5642 1 18 . 1 1 20 20 GLU CB C 20 27.400 27.400 30.507 -3.107 17821 5643 1 18 . 1 1 20 20 GLU H H 20 8.240 8.240 8.049 0.191 17821 5644 1 18 . 1 1 21 21 LYS N N 21 122.900 122.900 122.412 0.488 17821 5645 1 18 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.410 -0.230 17821 5646 1 18 . 1 1 21 21 LYS C C 21 173.400 173.400 175.928 -2.528 17821 5647 1 18 . 1 1 21 21 LYS CA C 21 53.300 53.300 56.339 -3.039 17821 5648 1 18 . 1 1 21 21 LYS CB C 21 29.800 29.800 33.181 -3.381 17821 5649 1 18 . 1 1 21 21 LYS H H 21 8.260 8.260 8.403 -0.143 17821 5650 1 18 . 1 1 22 22 LYS N N 22 124.000 124.000 123.012 0.988 17821 5651 1 18 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.678 -0.228 17821 5652 1 18 . 1 1 22 22 LYS C C 22 171.500 171.500 174.926 -3.426 17821 5653 1 18 . 1 1 22 22 LYS CA C 22 51.200 51.200 53.926 -2.726 17821 5654 1 18 . 1 1 22 22 LYS CB C 22 29.500 29.500 32.546 -3.046 17821 5655 1 18 . 1 1 22 22 LYS H H 22 8.220 8.220 8.273 -0.053 17821 5656 1 18 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.587 -0.297 17821 5657 1 18 . 1 1 23 23 PRO CA C 23 60.100 60.100 62.585 -2.485 17821 5658 1 18 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.219 -3.019 17821 5659 1 18 . 1 1 24 24 LEU N N 24 122.700 122.700 121.759 0.941 17821 5660 1 18 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.431 -0.271 17821 5661 1 18 . 1 1 24 24 LEU C C 24 174.400 174.400 176.810 -2.410 17821 5662 1 18 . 1 1 24 24 LEU CA C 24 52.400 52.400 55.165 -2.765 17821 5663 1 18 . 1 1 24 24 LEU CB C 24 39.600 39.600 42.434 -2.834 17821 5664 1 18 . 1 1 24 24 LEU H H 24 8.270 8.270 8.291 -0.021 17821 5665 1 18 . 1 1 25 25 LYS N N 25 123.400 123.400 126.469 -3.069 17821 5666 1 18 . 1 1 25 25 LYS C C 25 171.600 171.600 174.943 -3.343 17821 5667 1 18 . 1 1 25 25 LYS CA C 25 50.900 50.900 55.014 -4.114 17821 5668 1 18 . 1 1 25 25 LYS CB C 25 29.800 29.800 32.602 -2.801 17821 5669 1 18 . 1 1 25 25 LYS H H 25 8.180 8.180 8.362 -0.182 17821 5670 1 18 . 1 1 28 28 CYS CA C 28 46.000 46.000 60.756 -14.756 17821 5671 1 18 . 1 1 28 28 CYS CB C 28 31.000 31.000 26.077 4.923 17821 5672 1 18 . 1 1 29 29 ALA N N 29 123.800 123.800 120.364 3.436 17821 5673 1 18 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.543 -0.393 17821 5674 1 18 . 1 1 29 29 ALA C C 29 173.200 173.200 176.437 -3.237 17821 5675 1 18 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.547 -1.847 17821 5676 1 18 . 1 1 29 29 ALA CB C 29 17.600 17.600 20.850 -3.250 17821 5677 1 18 . 1 1 29 29 ALA H H 29 8.050 8.050 7.463 0.587 17821 5678 1 18 . 1 1 30 30 SER N N 30 112.800 112.800 116.644 -3.844 17821 5679 1 18 . 1 1 30 30 SER HA H 30 4.580 4.580 4.898 -0.318 17821 5680 1 18 . 1 1 30 30 SER C C 30 173.300 173.300 174.449 -1.149 17821 5681 1 18 . 1 1 30 30 SER CA C 30 52.600 52.600 55.213 -2.613 17821 5682 1 18 . 1 1 30 30 SER CB C 30 59.400 59.400 63.238 -3.838 17821 5683 1 18 . 1 1 30 30 SER H H 30 8.270 8.270 8.548 -0.278 17821 5684 1 18 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.218 -0.058 17821 5685 1 18 . 1 1 31 31 PRO CA C 31 61.800 61.800 64.862 -3.062 17821 5686 1 18 . 1 1 31 31 PRO CB C 31 29.300 29.300 32.032 -2.732 17821 5687 1 18 . 1 1 32 32 GLU N N 32 119.100 119.100 118.343 0.757 17821 5688 1 18 . 1 1 32 32 GLU HA H 32 4.060 4.060 3.980 0.080 17821 5689 1 18 . 1 1 32 32 GLU C C 32 177.300 177.300 178.321 -1.021 17821 5690 1 18 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.933 -3.033 17821 5691 1 18 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.788 -2.788 17821 5692 1 18 . 1 1 32 32 GLU H H 32 8.720 8.720 8.896 -0.176 17821 5693 1 18 . 1 1 33 33 THR N N 33 110.800 110.800 111.205 -0.405 17821 5694 1 18 . 1 1 33 33 THR HA H 33 4.040 4.040 3.936 0.104 17821 5695 1 18 . 1 1 33 33 THR C C 33 176.000 176.000 176.082 -0.082 17821 5696 1 18 . 1 1 33 33 THR CA C 33 61.700 61.700 65.188 -3.488 17821 5697 1 18 . 1 1 33 33 THR CB C 33 64.100 64.100 67.810 -3.710 17821 5698 1 18 . 1 1 33 33 THR H H 33 7.620 7.620 7.982 -0.362 17821 5699 1 18 . 1 1 34 34 LYS N N 34 127.100 127.100 122.411 4.689 17821 5700 1 18 . 1 1 34 34 LYS HA H 34 2.920 2.920 3.855 -0.935 17821 5701 1 18 . 1 1 34 34 LYS C C 34 174.300 174.300 178.666 -4.366 17821 5702 1 18 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.745 -2.445 17821 5703 1 18 . 1 1 34 34 LYS CB C 34 30.000 30.000 32.297 -2.297 17821 5704 1 18 . 1 1 34 34 LYS H H 34 7.740 7.740 7.321 0.419 17821 5705 1 18 . 1 1 35 35 LYS N N 35 118.500 118.500 119.150 -0.650 17821 5706 1 18 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.016 -0.126 17821 5707 1 18 . 1 1 35 35 LYS C C 35 176.500 176.500 179.051 -2.551 17821 5708 1 18 . 1 1 35 35 LYS CA C 35 56.700 56.700 58.902 -2.202 17821 5709 1 18 . 1 1 35 35 LYS CB C 35 29.500 29.500 31.985 -2.485 17821 5710 1 18 . 1 1 35 35 LYS H H 35 7.880 7.880 8.156 -0.276 17821 5711 1 18 . 1 1 36 36 ALA N N 36 120.100 120.100 121.612 -1.512 17821 5712 1 18 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.077 -0.037 17821 5713 1 18 . 1 1 36 36 ALA C C 36 177.600 177.600 179.406 -1.806 17821 5714 1 18 . 1 1 36 36 ALA CA C 36 52.000 52.000 55.121 -3.121 17821 5715 1 18 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.528 -3.128 17821 5716 1 18 . 1 1 36 36 ALA H H 36 7.490 7.490 8.393 -0.903 17821 5717 1 18 . 1 1 37 37 ARG N N 37 118.500 118.500 119.473 -0.973 17821 5718 1 18 . 1 1 37 37 ARG HA H 37 3.620 3.620 4.135 -0.514 17821 5719 1 18 . 1 1 37 37 ARG C C 37 174.100 174.100 177.870 -3.770 17821 5720 1 18 . 1 1 37 37 ARG CA C 37 56.600 56.600 58.954 -2.354 17821 5721 1 18 . 1 1 37 37 ARG CB C 37 27.100 27.100 29.999 -2.899 17821 5722 1 18 . 1 1 37 37 ARG H H 37 7.630 7.630 8.535 -0.905 17821 5723 1 18 . 1 1 38 38 ASP N N 38 120.200 120.200 119.300 0.900 17821 5724 1 18 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.429 -0.159 17821 5725 1 18 . 1 1 38 38 ASP C C 38 175.500 175.500 178.430 -2.930 17821 5726 1 18 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.594 -2.894 17821 5727 1 18 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.729 -4.529 17821 5728 1 18 . 1 1 38 38 ASP H H 38 8.680 8.680 8.178 0.502 17821 5729 1 18 . 1 1 39 39 ALA N N 39 121.100 121.100 121.472 -0.372 17821 5730 1 18 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.131 -0.121 17821 5731 1 18 . 1 1 39 39 ALA C C 39 176.800 176.800 179.297 -2.497 17821 5732 1 18 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.120 -3.020 17821 5733 1 18 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.206 -3.006 17821 5734 1 18 . 1 1 39 39 ALA H H 39 8.040 8.040 8.343 -0.303 17821 5735 1 18 . 1 1 40 40 CYS N N 40 117.600 117.600 118.520 -0.920 17821 5736 1 18 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.137 0.043 17821 5737 1 18 . 1 1 40 40 CYS C C 40 173.800 173.800 176.763 -2.963 17821 5738 1 18 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.277 -4.377 17821 5739 1 18 . 1 1 40 40 CYS CB C 40 36.400 36.400 25.921 10.479 17821 5740 1 18 . 1 1 40 40 CYS H H 40 7.340 7.340 8.051 -0.711 17821 5741 1 18 . 1 1 41 41 ILE N N 41 121.500 121.500 121.295 0.205 17821 5742 1 18 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.733 -0.683 17821 5743 1 18 . 1 1 41 41 ILE C C 41 176.100 176.100 178.268 -2.168 17821 5744 1 18 . 1 1 41 41 ILE CA C 41 63.400 63.400 65.096 -1.696 17821 5745 1 18 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.880 -2.580 17821 5746 1 18 . 1 1 41 41 ILE H H 41 8.230 8.230 8.456 -0.226 17821 5747 1 18 . 1 1 42 42 ILE N N 42 119.200 119.200 119.413 -0.213 17821 5748 1 18 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.669 0.021 17821 5749 1 18 . 1 1 42 42 ILE C C 42 174.200 174.200 177.931 -3.731 17821 5750 1 18 . 1 1 42 42 ILE CA C 42 61.300 61.300 64.825 -3.525 17821 5751 1 18 . 1 1 42 42 ILE CB C 42 35.800 35.800 37.972 -2.172 17821 5752 1 18 . 1 1 42 42 ILE H H 42 7.770 7.770 7.883 -0.113 17821 5753 1 18 . 1 1 43 43 GLU N N 43 118.700 118.700 118.571 0.129 17821 5754 1 18 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.199 -0.149 17821 5755 1 18 . 1 1 43 43 GLU C C 43 175.300 175.300 177.766 -2.466 17821 5756 1 18 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.638 -2.337 17821 5757 1 18 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.369 -2.169 17821 5758 1 18 . 1 1 43 43 GLU H H 43 7.600 7.600 8.162 -0.562 17821 5759 1 18 . 1 1 44 44 LYS N N 44 114.600 114.600 114.829 -0.229 17821 5760 1 18 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.500 -0.050 17821 5761 1 18 . 1 1 44 44 LYS C C 44 174.500 174.500 175.588 -1.088 17821 5762 1 18 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.140 -2.340 17821 5763 1 18 . 1 1 44 44 LYS CB C 44 32.700 32.700 35.172 -2.472 17821 5764 1 18 . 1 1 44 44 LYS H H 44 8.860 8.860 8.509 0.351 17821 5765 1 18 . 1 1 45 45 GLY N N 45 108.700 108.700 108.178 0.522 17821 5766 1 18 . 1 1 45 45 GLY C C 45 171.000 171.000 175.144 -4.144 17821 5767 1 18 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.796 -3.496 17821 5768 1 18 . 1 1 45 45 GLY H H 45 7.690 7.690 7.521 0.169 17821 5769 1 18 . 1 1 46 46 GLU N N 46 120.800 120.800 121.520 -0.720 17821 5770 1 18 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.958 -0.518 17821 5771 1 18 . 1 1 46 46 GLU C C 46 175.800 175.800 177.898 -2.098 17821 5772 1 18 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.846 -1.546 17821 5773 1 18 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.596 -2.496 17821 5774 1 18 . 1 1 46 46 GLU H H 46 8.900 8.900 8.911 -0.011 17821 5775 1 18 . 1 1 47 47 GLU N N 47 118.700 118.700 116.570 2.130 17821 5776 1 18 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.199 -0.259 17821 5777 1 18 . 1 1 47 47 GLU C C 47 174.300 174.300 177.215 -2.915 17821 5778 1 18 . 1 1 47 47 GLU CA C 47 55.900 55.900 56.431 -0.530 17821 5779 1 18 . 1 1 47 47 GLU CB C 47 25.500 25.500 29.389 -3.889 17821 5780 1 18 . 1 1 47 47 GLU H H 47 9.530 9.530 8.659 0.871 17821 5781 1 18 . 1 1 48 48 HIS N N 48 117.500 117.500 116.834 0.666 17821 5782 1 18 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.875 -0.005 17821 5783 1 18 . 1 1 48 48 HIS C C 48 173.300 173.300 175.074 -1.774 17821 5784 1 18 . 1 1 48 48 HIS CA C 48 53.100 53.100 55.732 -2.632 17821 5785 1 18 . 1 1 48 48 HIS CB C 48 28.900 28.900 30.568 -1.668 17821 5786 1 18 . 1 1 48 48 HIS H H 48 7.500 7.500 7.627 -0.127 17821 5787 1 18 . 1 1 49 49 CYS N N 49 116.100 116.100 119.987 -3.887 17821 5788 1 18 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.921 0.129 17821 5789 1 18 . 1 1 49 49 CYS C C 49 173.700 173.700 175.954 -2.254 17821 5790 1 18 . 1 1 49 49 CYS CA C 49 51.700 51.700 57.575 -5.875 17821 5791 1 18 . 1 1 49 49 CYS CB C 49 39.500 39.500 26.684 12.816 17821 5792 1 18 . 1 1 49 49 CYS H H 49 7.460 7.460 8.388 -0.928 17821 5793 1 18 . 1 1 50 50 GLY N N 50 112.900 112.900 110.414 2.486 17821 5794 1 18 . 1 1 50 50 GLY C C 50 172.500 172.500 175.895 -3.395 17821 5795 1 18 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.219 -1.919 17821 5796 1 18 . 1 1 50 50 GLY H H 50 9.150 9.150 8.815 0.335 17821 5797 1 18 . 1 1 51 51 HIS C C 51 175.400 175.400 177.146 -1.746 17821 5798 1 18 . 1 1 51 51 HIS CA C 51 56.400 56.400 59.039 -2.639 17821 5799 1 18 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.828 -3.828 17821 5800 1 18 . 1 1 52 52 LEU N N 52 122.000 122.000 120.917 1.083 17821 5801 1 18 . 1 1 52 52 LEU HA H 52 4.110 4.110 3.928 0.182 17821 5802 1 18 . 1 1 52 52 LEU C C 52 177.700 177.700 178.670 -0.970 17821 5803 1 18 . 1 1 52 52 LEU CA C 52 53.800 53.800 56.855 -3.055 17821 5804 1 18 . 1 1 52 52 LEU CB C 52 39.500 39.500 40.861 -1.361 17821 5805 1 18 . 1 1 52 52 LEU H H 52 6.810 6.810 7.682 -0.872 17821 5806 1 18 . 1 1 53 53 ILE N N 53 124.200 124.200 119.335 4.865 17821 5807 1 18 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.559 -0.129 17821 5808 1 18 . 1 1 53 53 ILE C C 53 176.100 176.100 178.323 -2.223 17821 5809 1 18 . 1 1 53 53 ILE CA C 53 63.200 63.200 65.571 -2.371 17821 5810 1 18 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.663 -1.763 17821 5811 1 18 . 1 1 53 53 ILE H H 53 8.170 8.170 8.074 0.096 17821 5812 1 18 . 1 1 54 54 GLU N N 54 120.600 120.600 120.373 0.227 17821 5813 1 18 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.865 0.165 17821 5814 1 18 . 1 1 54 54 GLU C C 54 175.400 175.400 178.597 -3.197 17821 5815 1 18 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.880 -3.780 17821 5816 1 18 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.524 -3.524 17821 5817 1 18 . 1 1 54 54 GLU H H 54 8.380 8.380 8.043 0.337 17821 5818 1 18 . 1 1 55 55 ALA N N 55 120.800 120.800 121.607 -0.807 17821 5819 1 18 . 1 1 55 55 ALA HA H 55 4.120 4.120 4.036 0.084 17821 5820 1 18 . 1 1 55 55 ALA C C 55 177.900 177.900 179.831 -1.931 17821 5821 1 18 . 1 1 55 55 ALA CA C 55 52.200 52.200 54.938 -2.738 17821 5822 1 18 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.459 -3.359 17821 5823 1 18 . 1 1 55 55 ALA H H 55 7.880 7.880 7.763 0.117 17821 5824 1 18 . 1 1 56 56 HIS N N 56 117.400 117.400 116.754 0.646 17821 5825 1 18 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.328 -0.028 17821 5826 1 18 . 1 1 56 56 HIS C C 56 173.500 173.500 177.849 -4.349 17821 5827 1 18 . 1 1 56 56 HIS CA C 56 57.000 57.000 58.035 -1.034 17821 5828 1 18 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.103 -1.803 17821 5829 1 18 . 1 1 56 56 HIS H H 56 7.640 7.640 7.973 -0.333 17821 5830 1 18 . 1 1 57 57 LYS N N 57 119.200 119.200 120.818 -1.618 17821 5831 1 18 . 1 1 57 57 LYS HA H 57 3.600 3.600 4.032 -0.432 17821 5832 1 18 . 1 1 57 57 LYS C C 57 176.200 176.200 178.726 -2.526 17821 5833 1 18 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.777 -2.177 17821 5834 1 18 . 1 1 57 57 LYS CB C 57 29.500 29.500 32.129 -2.629 17821 5835 1 18 . 1 1 57 57 LYS H H 57 7.620 7.620 8.576 -0.956 17821 5836 1 18 . 1 1 58 58 GLU N N 58 118.400 118.400 120.245 -1.845 17821 5837 1 18 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.057 -0.087 17821 5838 1 18 . 1 1 58 58 GLU C C 58 176.200 176.200 179.068 -2.868 17821 5839 1 18 . 1 1 58 58 GLU CA C 58 56.200 56.200 58.911 -2.711 17821 5840 1 18 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.300 -3.000 17821 5841 1 18 . 1 1 58 58 GLU H H 58 8.490 8.490 8.275 0.215 17821 5842 1 18 . 1 1 59 59 SER N N 59 116.100 116.100 115.747 0.353 17821 5843 1 18 . 1 1 59 59 SER HA H 59 4.150 4.150 4.221 -0.071 17821 5844 1 18 . 1 1 59 59 SER CA C 59 58.400 58.400 61.436 -3.036 17821 5845 1 18 . 1 1 59 59 SER CB C 59 60.300 60.300 63.316 -3.015 17821 5846 1 18 . 1 1 59 59 SER H H 59 7.790 7.790 8.316 -0.526 17821 5847 1 18 . 1 1 60 60 MET N N 60 117.500 117.500 118.779 -1.279 17821 5848 1 18 . 1 1 60 60 MET HA H 60 4.170 4.170 4.249 -0.079 17821 5849 1 18 . 1 1 60 60 MET C C 60 176.400 176.400 178.312 -1.912 17821 5850 1 18 . 1 1 60 60 MET CA C 60 54.400 54.400 56.254 -1.854 17821 5851 1 18 . 1 1 60 60 MET CB C 60 29.100 29.100 32.603 -3.503 17821 5852 1 18 . 1 1 60 60 MET H H 60 7.880 7.880 7.880 0.000 17821 5853 1 18 . 1 1 61 61 ARG N N 61 121.300 121.300 121.336 -0.036 17821 5854 1 18 . 1 1 61 61 ARG HA H 61 4.170 4.170 4.000 0.170 17821 5855 1 18 . 1 1 61 61 ARG C C 61 177.500 177.500 177.787 -0.287 17821 5856 1 18 . 1 1 61 61 ARG CA C 61 56.100 56.100 58.950 -2.850 17821 5857 1 18 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.146 -2.646 17821 5858 1 18 . 1 1 61 61 ARG H H 61 8.290 8.290 8.450 -0.160 17821 5859 1 18 . 1 1 62 62 ALA N N 62 123.200 123.200 121.362 1.838 17821 5860 1 18 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.125 -0.055 17821 5861 1 18 . 1 1 62 62 ALA C C 62 176.400 176.400 178.867 -2.467 17821 5862 1 18 . 1 1 62 62 ALA CA C 62 51.500 51.500 53.815 -2.315 17821 5863 1 18 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.356 -3.256 17821 5864 1 18 . 1 1 62 62 ALA H H 62 7.950 7.950 7.710 0.240 17821 5865 1 18 . 1 1 63 63 LEU N N 63 117.500 117.500 117.153 0.347 17821 5866 1 18 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.191 0.010 17821 5867 1 18 . 1 1 63 63 LEU C C 63 174.400 174.400 177.443 -3.043 17821 5868 1 18 . 1 1 63 63 LEU CA C 63 52.900 52.900 55.045 -2.145 17821 5869 1 18 . 1 1 63 63 LEU CB C 63 39.800 39.800 41.293 -1.493 17821 5870 1 18 . 1 1 63 63 LEU H H 63 7.450 7.450 7.559 -0.109 17821 5871 1 18 . 1 1 64 64 GLY N N 64 106.300 106.300 107.424 -1.124 17821 5872 1 18 . 1 1 64 64 GLY C C 64 171.400 171.400 174.754 -3.354 17821 5873 1 18 . 1 1 64 64 GLY CA C 64 42.100 42.100 45.406 -3.305 17821 5874 1 18 . 1 1 64 64 GLY H H 64 7.780 7.780 7.585 0.195 17821 5875 1 18 . 1 1 65 65 PHE N N 65 119.800 119.800 116.005 3.795 17821 5876 1 18 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.877 -0.407 17821 5877 1 18 . 1 1 65 65 PHE C C 65 172.300 172.300 174.909 -2.609 17821 5878 1 18 . 1 1 65 65 PHE CA C 65 54.900 54.900 56.756 -1.856 17821 5879 1 18 . 1 1 65 65 PHE CB C 65 36.900 36.900 38.784 -1.884 17821 5880 1 18 . 1 1 65 65 PHE H H 65 7.840 7.840 7.390 0.450 17821 5881 1 18 . 1 1 66 66 LYS N N 66 124.000 124.000 121.090 2.910 17821 5882 1 18 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.423 -0.163 17821 5883 1 18 . 1 1 66 66 LYS C C 66 172.200 172.200 175.558 -3.358 17821 5884 1 18 . 1 1 66 66 LYS CA C 66 53.200 53.200 56.931 -3.731 17821 5885 1 18 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.368 -4.068 17821 5886 1 18 . 1 1 66 66 LYS H H 66 8.370 8.370 8.310 0.060 17821 5887 1 19 . 1 1 4 4 THR N N 4 117.400 117.400 125.918 -8.518 17821 5888 1 19 . 1 1 4 4 THR HA H 4 4.130 4.130 4.187 -0.057 17821 5889 1 19 . 1 1 4 4 THR C C 4 170.800 170.800 173.667 -2.867 17821 5890 1 19 . 1 1 4 4 THR CA C 4 58.800 58.800 61.749 -2.949 17821 5891 1 19 . 1 1 4 4 THR CB C 4 67.000 67.000 66.939 0.061 17821 5892 1 19 . 1 1 4 4 THR H H 4 7.980 7.980 8.455 -0.475 17821 5893 1 19 . 1 1 5 5 MET N N 5 124.400 124.400 121.964 2.436 17821 5894 1 19 . 1 1 5 5 MET C C 5 171.200 171.200 173.994 -2.794 17821 5895 1 19 . 1 1 5 5 MET CA C 5 50.400 50.400 54.067 -3.667 17821 5896 1 19 . 1 1 5 5 MET CB C 5 29.600 29.600 30.758 -1.158 17821 5897 1 19 . 1 1 5 5 MET H H 5 8.250 8.250 7.302 0.948 17821 5898 1 19 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.232 0.048 17821 5899 1 19 . 1 1 6 6 PRO CA C 6 60.500 60.500 64.780 -4.280 17821 5900 1 19 . 1 1 6 6 PRO CB C 6 29.200 29.200 31.439 -2.239 17821 5901 1 19 . 1 1 7 7 GLY N N 7 109.000 109.000 109.695 -0.695 17821 5902 1 19 . 1 1 7 7 GLY C C 7 171.200 171.200 174.705 -3.505 17821 5903 1 19 . 1 1 7 7 GLY CA C 7 42.400 42.400 45.189 -2.789 17821 5904 1 19 . 1 1 7 7 GLY H H 7 8.360 8.360 8.545 -0.185 17821 5905 1 19 . 1 1 8 8 LEU N N 8 121.700 121.700 123.416 -1.716 17821 5906 1 19 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.379 -0.119 17821 5907 1 19 . 1 1 8 8 LEU C C 8 174.600 174.600 175.874 -1.274 17821 5908 1 19 . 1 1 8 8 LEU CA C 8 52.300 52.300 54.611 -2.311 17821 5909 1 19 . 1 1 8 8 LEU CB C 8 39.400 39.400 40.800 -1.400 17821 5910 1 19 . 1 1 8 8 LEU H H 8 7.920 7.920 7.641 0.280 17821 5911 1 19 . 1 1 9 9 VAL N N 9 120.900 120.900 119.516 1.384 17821 5912 1 19 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.371 -0.391 17821 5913 1 19 . 1 1 9 9 VAL C C 9 172.900 172.900 175.028 -2.128 17821 5914 1 19 . 1 1 9 9 VAL CA C 9 59.400 59.400 60.305 -0.905 17821 5915 1 19 . 1 1 9 9 VAL CB C 9 30.000 30.000 33.921 -3.921 17821 5916 1 19 . 1 1 9 9 VAL H H 9 8.050 8.050 7.527 0.523 17821 5917 1 19 . 1 1 10 10 ASP N N 10 124.300 124.300 124.387 -0.087 17821 5918 1 19 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.694 -0.224 17821 5919 1 19 . 1 1 10 10 ASP C C 10 173.100 173.100 175.718 -2.618 17821 5920 1 19 . 1 1 10 10 ASP CA C 10 51.500 51.500 54.378 -2.878 17821 5921 1 19 . 1 1 10 10 ASP CB C 10 38.300 38.300 41.243 -2.943 17821 5922 1 19 . 1 1 10 10 ASP H H 10 8.300 8.300 8.395 -0.095 17821 5923 1 19 . 1 1 11 11 SER N N 11 116.400 116.400 119.597 -3.197 17821 5924 1 19 . 1 1 11 11 SER HA H 11 4.290 4.290 4.403 -0.113 17821 5925 1 19 . 1 1 11 11 SER C C 11 171.200 171.200 173.898 -2.698 17821 5926 1 19 . 1 1 11 11 SER CA C 11 55.500 55.500 58.621 -3.122 17821 5927 1 19 . 1 1 11 11 SER CB C 11 60.900 60.900 63.963 -3.063 17821 5928 1 19 . 1 1 11 11 SER H H 11 8.130 8.130 8.548 -0.418 17821 5929 1 19 . 1 1 12 12 ASN N N 12 121.600 121.600 119.268 2.332 17821 5930 1 19 . 1 1 12 12 ASN HA H 12 4.230 4.230 4.572 -0.342 17821 5931 1 19 . 1 1 12 12 ASN C C 12 170.000 170.000 173.462 -3.462 17821 5932 1 19 . 1 1 12 12 ASN CA C 12 56.500 56.500 53.165 3.335 17821 5933 1 19 . 1 1 12 12 ASN CB C 12 36.000 36.000 37.660 -1.660 17821 5934 1 19 . 1 1 12 12 ASN H H 12 8.360 8.360 8.490 -0.130 17821 5935 1 19 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.561 -0.271 17821 5936 1 19 . 1 1 13 13 PRO CA C 13 60.300 60.300 62.944 -2.644 17821 5937 1 19 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.483 -3.284 17821 5938 1 19 . 1 1 14 14 ALA N N 14 125.700 125.700 125.294 0.406 17821 5939 1 19 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.408 0.002 17821 5940 1 19 . 1 1 14 14 ALA C C 14 172.200 172.200 176.115 -3.915 17821 5941 1 19 . 1 1 14 14 ALA CA C 14 47.500 47.500 50.875 -3.375 17821 5942 1 19 . 1 1 14 14 ALA CB C 14 15.100 15.100 17.957 -2.857 17821 5943 1 19 . 1 1 14 14 ALA H H 14 8.260 8.260 8.179 0.081 17821 5944 1 19 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.607 -0.327 17821 5945 1 19 . 1 1 16 16 PRO CA C 16 60.500 60.500 63.029 -2.529 17821 5946 1 19 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.567 -3.367 17821 5947 1 19 . 1 1 17 17 GLU N N 17 120.600 120.600 121.332 -0.732 17821 5948 1 19 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.324 -0.204 17821 5949 1 19 . 1 1 17 17 GLU C C 17 173.900 173.900 176.312 -2.412 17821 5950 1 19 . 1 1 17 17 GLU CA C 17 54.100 54.100 56.922 -2.822 17821 5951 1 19 . 1 1 17 17 GLU CB C 17 27.100 27.100 29.948 -2.848 17821 5952 1 19 . 1 1 17 17 GLU H H 17 8.550 8.550 8.666 -0.116 17821 5953 1 19 . 1 1 18 18 SER N N 18 116.400 116.400 114.919 1.481 17821 5954 1 19 . 1 1 18 18 SER HA H 18 4.310 4.310 4.371 -0.061 17821 5955 1 19 . 1 1 18 18 SER C C 18 171.900 171.900 174.461 -2.561 17821 5956 1 19 . 1 1 18 18 SER CA C 18 55.600 55.600 58.240 -2.640 17821 5957 1 19 . 1 1 18 18 SER CB C 18 60.800 60.800 63.807 -3.007 17821 5958 1 19 . 1 1 18 18 SER H H 18 8.240 8.240 7.749 0.491 17821 5959 1 19 . 1 1 19 19 GLN N N 19 122.300 122.300 122.365 -0.065 17821 5960 1 19 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.163 0.037 17821 5961 1 19 . 1 1 19 19 GLN C C 19 173.100 173.100 175.759 -2.659 17821 5962 1 19 . 1 1 19 19 GLN CA C 19 53.000 53.000 56.116 -3.116 17821 5963 1 19 . 1 1 19 19 GLN CB C 19 26.500 26.500 28.395 -1.895 17821 5964 1 19 . 1 1 19 19 GLN H H 19 8.310 8.310 8.413 -0.103 17821 5965 1 19 . 1 1 20 20 GLU N N 20 121.600 121.600 119.045 2.555 17821 5966 1 19 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.131 0.159 17821 5967 1 19 . 1 1 20 20 GLU C C 20 173.500 173.500 176.330 -2.830 17821 5968 1 19 . 1 1 20 20 GLU CA C 20 53.900 53.900 57.287 -3.387 17821 5969 1 19 . 1 1 20 20 GLU CB C 20 27.400 27.400 29.992 -2.592 17821 5970 1 19 . 1 1 20 20 GLU H H 20 8.240 8.240 8.586 -0.346 17821 5971 1 19 . 1 1 21 21 LYS N N 21 122.900 122.900 118.636 4.264 17821 5972 1 19 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.345 -0.165 17821 5973 1 19 . 1 1 21 21 LYS C C 21 173.400 173.400 174.745 -1.345 17821 5974 1 19 . 1 1 21 21 LYS CA C 21 53.300 53.300 55.526 -2.226 17821 5975 1 19 . 1 1 21 21 LYS CB C 21 29.800 29.800 34.098 -4.298 17821 5976 1 19 . 1 1 21 21 LYS H H 21 8.260 8.260 7.545 0.715 17821 5977 1 19 . 1 1 22 22 LYS N N 22 124.000 124.000 124.638 -0.638 17821 5978 1 19 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.543 -0.093 17821 5979 1 19 . 1 1 22 22 LYS C C 22 171.500 171.500 175.450 -3.950 17821 5980 1 19 . 1 1 22 22 LYS CA C 22 51.200 51.200 54.067 -2.867 17821 5981 1 19 . 1 1 22 22 LYS CB C 22 29.500 29.500 32.513 -3.013 17821 5982 1 19 . 1 1 22 22 LYS H H 22 8.220 8.220 8.510 -0.290 17821 5983 1 19 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.601 -0.311 17821 5984 1 19 . 1 1 23 23 PRO CA C 23 60.100 60.100 62.086 -1.986 17821 5985 1 19 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.908 -3.708 17821 5986 1 19 . 1 1 24 24 LEU N N 24 122.700 122.700 121.992 0.708 17821 5987 1 19 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.266 -0.106 17821 5988 1 19 . 1 1 24 24 LEU C C 24 174.400 174.400 176.761 -2.361 17821 5989 1 19 . 1 1 24 24 LEU CA C 24 52.400 52.400 55.228 -2.828 17821 5990 1 19 . 1 1 24 24 LEU CB C 24 39.600 39.600 42.966 -3.366 17821 5991 1 19 . 1 1 24 24 LEU H H 24 8.270 8.270 8.447 -0.177 17821 5992 1 19 . 1 1 25 25 LYS N N 25 123.400 123.400 125.570 -2.170 17821 5993 1 19 . 1 1 25 25 LYS C C 25 171.600 171.600 174.632 -3.032 17821 5994 1 19 . 1 1 25 25 LYS CA C 25 50.900 50.900 54.725 -3.825 17821 5995 1 19 . 1 1 25 25 LYS CB C 25 29.800 29.800 32.124 -2.324 17821 5996 1 19 . 1 1 25 25 LYS H H 25 8.180 8.180 8.489 -0.309 17821 5997 1 19 . 1 1 28 28 CYS CA C 28 46.000 46.000 58.860 -12.860 17821 5998 1 19 . 1 1 28 28 CYS CB C 28 31.000 31.000 28.964 2.036 17821 5999 1 19 . 1 1 29 29 ALA N N 29 123.800 123.800 122.671 1.129 17821 6000 1 19 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.568 -0.418 17821 6001 1 19 . 1 1 29 29 ALA C C 29 173.200 173.200 175.384 -2.184 17821 6002 1 19 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.854 -2.154 17821 6003 1 19 . 1 1 29 29 ALA CB C 29 17.600 17.600 21.091 -3.491 17821 6004 1 19 . 1 1 29 29 ALA H H 29 8.050 8.050 7.507 0.543 17821 6005 1 19 . 1 1 30 30 SER N N 30 112.800 112.800 114.702 -1.902 17821 6006 1 19 . 1 1 30 30 SER HA H 30 4.580 4.580 5.036 -0.456 17821 6007 1 19 . 1 1 30 30 SER C C 30 173.300 173.300 173.629 -0.329 17821 6008 1 19 . 1 1 30 30 SER CA C 30 52.600 52.600 54.462 -1.862 17821 6009 1 19 . 1 1 30 30 SER CB C 30 59.400 59.400 63.196 -3.796 17821 6010 1 19 . 1 1 30 30 SER H H 30 8.270 8.270 8.895 -0.625 17821 6011 1 19 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.324 -0.164 17821 6012 1 19 . 1 1 31 31 PRO CA C 31 61.800 61.800 64.815 -3.015 17821 6013 1 19 . 1 1 31 31 PRO CB C 31 29.300 29.300 31.806 -2.506 17821 6014 1 19 . 1 1 32 32 GLU N N 32 119.100 119.100 117.711 1.389 17821 6015 1 19 . 1 1 32 32 GLU HA H 32 4.060 4.060 4.082 -0.022 17821 6016 1 19 . 1 1 32 32 GLU C C 32 177.300 177.300 178.514 -1.214 17821 6017 1 19 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.759 -2.859 17821 6018 1 19 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.498 -2.498 17821 6019 1 19 . 1 1 32 32 GLU H H 32 8.720 8.720 9.007 -0.287 17821 6020 1 19 . 1 1 33 33 THR N N 33 110.800 110.800 113.269 -2.469 17821 6021 1 19 . 1 1 33 33 THR HA H 33 4.040 4.040 4.053 -0.013 17821 6022 1 19 . 1 1 33 33 THR C C 33 176.000 176.000 176.496 -0.496 17821 6023 1 19 . 1 1 33 33 THR CA C 33 61.700 61.700 65.822 -4.122 17821 6024 1 19 . 1 1 33 33 THR CB C 33 64.100 64.100 68.656 -4.556 17821 6025 1 19 . 1 1 33 33 THR H H 33 7.620 7.620 7.954 -0.334 17821 6026 1 19 . 1 1 34 34 LYS N N 34 127.100 127.100 122.450 4.650 17821 6027 1 19 . 1 1 34 34 LYS HA H 34 2.920 2.920 3.900 -0.980 17821 6028 1 19 . 1 1 34 34 LYS C C 34 174.300 174.300 178.281 -3.981 17821 6029 1 19 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.767 -2.467 17821 6030 1 19 . 1 1 34 34 LYS CB C 34 30.000 30.000 32.282 -2.282 17821 6031 1 19 . 1 1 34 34 LYS H H 34 7.740 7.740 7.633 0.107 17821 6032 1 19 . 1 1 35 35 LYS N N 35 118.500 118.500 118.944 -0.444 17821 6033 1 19 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.069 -0.179 17821 6034 1 19 . 1 1 35 35 LYS C C 35 176.500 176.500 179.011 -2.511 17821 6035 1 19 . 1 1 35 35 LYS CA C 35 56.700 56.700 59.138 -2.438 17821 6036 1 19 . 1 1 35 35 LYS CB C 35 29.500 29.500 31.953 -2.453 17821 6037 1 19 . 1 1 35 35 LYS H H 35 7.880 7.880 8.328 -0.448 17821 6038 1 19 . 1 1 36 36 ALA N N 36 120.100 120.100 121.949 -1.849 17821 6039 1 19 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.101 -0.061 17821 6040 1 19 . 1 1 36 36 ALA C C 36 177.600 177.600 179.531 -1.931 17821 6041 1 19 . 1 1 36 36 ALA CA C 36 52.000 52.000 55.136 -3.136 17821 6042 1 19 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.320 -2.920 17821 6043 1 19 . 1 1 36 36 ALA H H 36 7.490 7.490 8.174 -0.684 17821 6044 1 19 . 1 1 37 37 ARG N N 37 118.500 118.500 119.097 -0.597 17821 6045 1 19 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.882 -0.262 17821 6046 1 19 . 1 1 37 37 ARG C C 37 174.100 174.100 177.910 -3.810 17821 6047 1 19 . 1 1 37 37 ARG CA C 37 56.600 56.600 59.758 -3.158 17821 6048 1 19 . 1 1 37 37 ARG CB C 37 27.100 27.100 30.046 -2.946 17821 6049 1 19 . 1 1 37 37 ARG H H 37 7.630 7.630 8.367 -0.737 17821 6050 1 19 . 1 1 38 38 ASP N N 38 120.200 120.200 119.457 0.743 17821 6051 1 19 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.350 -0.080 17821 6052 1 19 . 1 1 38 38 ASP C C 38 175.500 175.500 178.616 -3.116 17821 6053 1 19 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.209 -2.509 17821 6054 1 19 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.209 -4.009 17821 6055 1 19 . 1 1 38 38 ASP H H 38 8.680 8.680 8.407 0.273 17821 6056 1 19 . 1 1 39 39 ALA N N 39 121.100 121.100 122.064 -0.964 17821 6057 1 19 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.137 -0.127 17821 6058 1 19 . 1 1 39 39 ALA C C 39 176.800 176.800 179.672 -2.872 17821 6059 1 19 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.059 -2.959 17821 6060 1 19 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.314 -3.114 17821 6061 1 19 . 1 1 39 39 ALA H H 39 8.040 8.040 8.057 -0.017 17821 6062 1 19 . 1 1 40 40 CYS N N 40 117.600 117.600 118.547 -0.947 17821 6063 1 19 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.157 0.023 17821 6064 1 19 . 1 1 40 40 CYS C C 40 173.800 173.800 176.785 -2.985 17821 6065 1 19 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.728 -4.828 17821 6066 1 19 . 1 1 40 40 CYS CB C 40 36.400 36.400 26.043 10.357 17821 6067 1 19 . 1 1 40 40 CYS H H 40 7.340 7.340 8.165 -0.825 17821 6068 1 19 . 1 1 41 41 ILE N N 41 121.500 121.500 121.118 0.382 17821 6069 1 19 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.822 -0.772 17821 6070 1 19 . 1 1 41 41 ILE C C 41 176.100 176.100 178.384 -2.284 17821 6071 1 19 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.888 -1.488 17821 6072 1 19 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.782 -2.482 17821 6073 1 19 . 1 1 41 41 ILE H H 41 8.230 8.230 8.581 -0.351 17821 6074 1 19 . 1 1 42 42 ILE N N 42 119.200 119.200 119.917 -0.717 17821 6075 1 19 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.691 -0.001 17821 6076 1 19 . 1 1 42 42 ILE C C 42 174.200 174.200 177.612 -3.412 17821 6077 1 19 . 1 1 42 42 ILE CA C 42 61.300 61.300 64.755 -3.455 17821 6078 1 19 . 1 1 42 42 ILE CB C 42 35.800 35.800 37.961 -2.161 17821 6079 1 19 . 1 1 42 42 ILE H H 42 7.770 7.770 7.983 -0.213 17821 6080 1 19 . 1 1 43 43 GLU N N 43 118.700 118.700 118.761 -0.061 17821 6081 1 19 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.226 -0.176 17821 6082 1 19 . 1 1 43 43 GLU C C 43 175.300 175.300 177.916 -2.616 17821 6083 1 19 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.590 -2.290 17821 6084 1 19 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.504 -2.304 17821 6085 1 19 . 1 1 43 43 GLU H H 43 7.600 7.600 8.041 -0.441 17821 6086 1 19 . 1 1 44 44 LYS N N 44 114.600 114.600 115.864 -1.264 17821 6087 1 19 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.520 -0.070 17821 6088 1 19 . 1 1 44 44 LYS C C 44 174.500 174.500 176.218 -1.718 17821 6089 1 19 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.477 -2.677 17821 6090 1 19 . 1 1 44 44 LYS CB C 44 32.700 32.700 34.920 -2.220 17821 6091 1 19 . 1 1 44 44 LYS H H 44 8.860 8.860 8.465 0.395 17821 6092 1 19 . 1 1 45 45 GLY N N 45 108.700 108.700 108.321 0.379 17821 6093 1 19 . 1 1 45 45 GLY C C 45 171.000 171.000 174.959 -3.959 17821 6094 1 19 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.669 -3.369 17821 6095 1 19 . 1 1 45 45 GLY H H 45 7.690 7.690 7.810 -0.120 17821 6096 1 19 . 1 1 46 46 GLU N N 46 120.800 120.800 121.765 -0.965 17821 6097 1 19 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.906 -0.466 17821 6098 1 19 . 1 1 46 46 GLU C C 46 175.800 175.800 178.120 -2.320 17821 6099 1 19 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.459 -1.159 17821 6100 1 19 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.593 -2.493 17821 6101 1 19 . 1 1 46 46 GLU H H 46 8.900 8.900 8.923 -0.023 17821 6102 1 19 . 1 1 47 47 GLU N N 47 118.700 118.700 116.490 2.210 17821 6103 1 19 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.142 -0.202 17821 6104 1 19 . 1 1 47 47 GLU C C 47 174.300 174.300 176.909 -2.609 17821 6105 1 19 . 1 1 47 47 GLU CA C 47 55.900 55.900 57.116 -1.216 17821 6106 1 19 . 1 1 47 47 GLU CB C 47 25.500 25.500 28.558 -3.058 17821 6107 1 19 . 1 1 47 47 GLU H H 47 9.530 9.530 8.697 0.833 17821 6108 1 19 . 1 1 48 48 HIS N N 48 117.500 117.500 116.499 1.001 17821 6109 1 19 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.884 -0.014 17821 6110 1 19 . 1 1 48 48 HIS C C 48 173.300 173.300 174.531 -1.231 17821 6111 1 19 . 1 1 48 48 HIS CA C 48 53.100 53.100 56.123 -3.023 17821 6112 1 19 . 1 1 48 48 HIS CB C 48 28.900 28.900 31.297 -2.397 17821 6113 1 19 . 1 1 48 48 HIS H H 48 7.500 7.500 7.646 -0.146 17821 6114 1 19 . 1 1 49 49 CYS N N 49 116.100 116.100 118.989 -2.889 17821 6115 1 19 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.993 0.057 17821 6116 1 19 . 1 1 49 49 CYS C C 49 173.700 173.700 175.911 -2.211 17821 6117 1 19 . 1 1 49 49 CYS CA C 49 51.700 51.700 57.940 -6.240 17821 6118 1 19 . 1 1 49 49 CYS CB C 49 39.500 39.500 26.336 13.164 17821 6119 1 19 . 1 1 49 49 CYS H H 49 7.460 7.460 7.831 -0.371 17821 6120 1 19 . 1 1 50 50 GLY N N 50 112.900 112.900 109.378 3.522 17821 6121 1 19 . 1 1 50 50 GLY C C 50 172.500 172.500 175.482 -2.982 17821 6122 1 19 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.637 -2.337 17821 6123 1 19 . 1 1 50 50 GLY H H 50 9.150 9.150 8.629 0.521 17821 6124 1 19 . 1 1 51 51 HIS C C 51 175.400 175.400 176.683 -1.283 17821 6125 1 19 . 1 1 51 51 HIS CA C 51 56.400 56.400 58.761 -2.361 17821 6126 1 19 . 1 1 51 51 HIS CB C 51 26.000 26.000 30.043 -4.043 17821 6127 1 19 . 1 1 52 52 LEU N N 52 122.000 122.000 121.205 0.795 17821 6128 1 19 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.148 -0.038 17821 6129 1 19 . 1 1 52 52 LEU C C 52 177.700 177.700 178.651 -0.951 17821 6130 1 19 . 1 1 52 52 LEU CA C 52 53.800 53.800 57.348 -3.548 17821 6131 1 19 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.301 -1.801 17821 6132 1 19 . 1 1 52 52 LEU H H 52 6.810 6.810 8.127 -1.317 17821 6133 1 19 . 1 1 53 53 ILE N N 53 124.200 124.200 119.975 4.225 17821 6134 1 19 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.697 -0.267 17821 6135 1 19 . 1 1 53 53 ILE C C 53 176.100 176.100 178.625 -2.525 17821 6136 1 19 . 1 1 53 53 ILE CA C 53 63.200 63.200 65.958 -2.758 17821 6137 1 19 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.921 -2.021 17821 6138 1 19 . 1 1 53 53 ILE H H 53 8.170 8.170 8.524 -0.354 17821 6139 1 19 . 1 1 54 54 GLU N N 54 120.600 120.600 119.925 0.675 17821 6140 1 19 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.936 0.094 17821 6141 1 19 . 1 1 54 54 GLU C C 54 175.400 175.400 178.665 -3.265 17821 6142 1 19 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.744 -3.644 17821 6143 1 19 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.543 -3.543 17821 6144 1 19 . 1 1 54 54 GLU H H 54 8.380 8.380 8.168 0.212 17821 6145 1 19 . 1 1 55 55 ALA N N 55 120.800 120.800 122.405 -1.605 17821 6146 1 19 . 1 1 55 55 ALA HA H 55 4.120 4.120 3.952 0.168 17821 6147 1 19 . 1 1 55 55 ALA C C 55 177.900 177.900 179.137 -1.237 17821 6148 1 19 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.328 -3.128 17821 6149 1 19 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.162 -3.062 17821 6150 1 19 . 1 1 55 55 ALA H H 55 7.880 7.880 7.985 -0.105 17821 6151 1 19 . 1 1 56 56 HIS N N 56 117.400 117.400 118.468 -1.068 17821 6152 1 19 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.276 0.024 17821 6153 1 19 . 1 1 56 56 HIS C C 56 173.500 173.500 177.369 -3.869 17821 6154 1 19 . 1 1 56 56 HIS CA C 56 57.000 57.000 59.711 -2.711 17821 6155 1 19 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.880 -1.580 17821 6156 1 19 . 1 1 56 56 HIS H H 56 7.640 7.640 8.538 -0.898 17821 6157 1 19 . 1 1 57 57 LYS N N 57 119.200 119.200 119.099 0.101 17821 6158 1 19 . 1 1 57 57 LYS HA H 57 3.600 3.600 3.735 -0.135 17821 6159 1 19 . 1 1 57 57 LYS C C 57 176.200 176.200 178.754 -2.554 17821 6160 1 19 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.428 -1.828 17821 6161 1 19 . 1 1 57 57 LYS CB C 57 29.500 29.500 31.944 -2.444 17821 6162 1 19 . 1 1 57 57 LYS H H 57 7.620 7.620 8.161 -0.541 17821 6163 1 19 . 1 1 58 58 GLU N N 58 118.400 118.400 120.551 -2.151 17821 6164 1 19 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.047 -0.077 17821 6165 1 19 . 1 1 58 58 GLU C C 58 176.200 176.200 178.932 -2.732 17821 6166 1 19 . 1 1 58 58 GLU CA C 58 56.200 56.200 58.871 -2.671 17821 6167 1 19 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.288 -2.988 17821 6168 1 19 . 1 1 58 58 GLU H H 58 8.490 8.490 8.290 0.200 17821 6169 1 19 . 1 1 59 59 SER N N 59 116.100 116.100 115.423 0.677 17821 6170 1 19 . 1 1 59 59 SER HA H 59 4.150 4.150 4.172 -0.022 17821 6171 1 19 . 1 1 59 59 SER CA C 59 58.400 58.400 61.353 -2.953 17821 6172 1 19 . 1 1 59 59 SER CB C 59 60.300 60.300 63.203 -2.903 17821 6173 1 19 . 1 1 59 59 SER H H 59 7.790 7.790 8.290 -0.500 17821 6174 1 19 . 1 1 60 60 MET N N 60 117.500 117.500 119.224 -1.724 17821 6175 1 19 . 1 1 60 60 MET HA H 60 4.170 4.170 4.156 0.014 17821 6176 1 19 . 1 1 60 60 MET C C 60 176.400 176.400 178.321 -1.921 17821 6177 1 19 . 1 1 60 60 MET CA C 60 54.400 54.400 56.829 -2.429 17821 6178 1 19 . 1 1 60 60 MET CB C 60 29.100 29.100 32.561 -3.461 17821 6179 1 19 . 1 1 60 60 MET H H 60 7.880 7.880 8.058 -0.178 17821 6180 1 19 . 1 1 61 61 ARG N N 61 121.300 121.300 120.347 0.953 17821 6181 1 19 . 1 1 61 61 ARG HA H 61 4.170 4.170 3.932 0.238 17821 6182 1 19 . 1 1 61 61 ARG C C 61 177.500 177.500 177.681 -0.181 17821 6183 1 19 . 1 1 61 61 ARG CA C 61 56.100 56.100 59.059 -2.959 17821 6184 1 19 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.205 -2.705 17821 6185 1 19 . 1 1 61 61 ARG H H 61 8.290 8.290 8.156 0.134 17821 6186 1 19 . 1 1 62 62 ALA N N 62 123.200 123.200 120.426 2.774 17821 6187 1 19 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.137 -0.067 17821 6188 1 19 . 1 1 62 62 ALA C C 62 176.400 176.400 178.392 -1.992 17821 6189 1 19 . 1 1 62 62 ALA CA C 62 51.500 51.500 53.724 -2.224 17821 6190 1 19 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.429 -3.329 17821 6191 1 19 . 1 1 62 62 ALA H H 62 7.950 7.950 7.626 0.324 17821 6192 1 19 . 1 1 63 63 LEU N N 63 117.500 117.500 116.265 1.235 17821 6193 1 19 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.050 0.150 17821 6194 1 19 . 1 1 63 63 LEU C C 63 174.400 174.400 177.742 -3.342 17821 6195 1 19 . 1 1 63 63 LEU CA C 63 52.900 52.900 54.280 -1.380 17821 6196 1 19 . 1 1 63 63 LEU CB C 63 39.800 39.800 41.364 -1.564 17821 6197 1 19 . 1 1 63 63 LEU H H 63 7.450 7.450 7.432 0.018 17821 6198 1 19 . 1 1 64 64 GLY N N 64 106.300 106.300 106.234 0.066 17821 6199 1 19 . 1 1 64 64 GLY C C 64 171.400 171.400 175.370 -3.970 17821 6200 1 19 . 1 1 64 64 GLY CA C 64 42.100 42.100 45.908 -3.808 17821 6201 1 19 . 1 1 64 64 GLY H H 64 7.780 7.780 7.569 0.211 17821 6202 1 19 . 1 1 65 65 PHE N N 65 119.800 119.800 116.888 2.912 17821 6203 1 19 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.855 -0.385 17821 6204 1 19 . 1 1 65 65 PHE C C 65 172.300 172.300 175.717 -3.417 17821 6205 1 19 . 1 1 65 65 PHE CA C 65 54.900 54.900 55.971 -1.071 17821 6206 1 19 . 1 1 65 65 PHE CB C 65 36.900 36.900 38.400 -1.500 17821 6207 1 19 . 1 1 65 65 PHE H H 65 7.840 7.840 7.584 0.256 17821 6208 1 19 . 1 1 66 66 LYS N N 66 124.000 124.000 121.097 2.903 17821 6209 1 19 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.462 -0.202 17821 6210 1 19 . 1 1 66 66 LYS C C 66 172.200 172.200 175.692 -3.492 17821 6211 1 19 . 1 1 66 66 LYS CA C 66 53.200 53.200 57.020 -3.820 17821 6212 1 19 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.401 -4.101 17821 6213 1 19 . 1 1 66 66 LYS H H 66 8.370 8.370 8.288 0.082 17821 6214 1 20 . 1 1 4 4 THR N N 4 117.400 117.400 121.057 -3.657 17821 6215 1 20 . 1 1 4 4 THR HA H 4 4.130 4.130 4.543 -0.413 17821 6216 1 20 . 1 1 4 4 THR C C 4 170.800 170.800 173.982 -3.182 17821 6217 1 20 . 1 1 4 4 THR CA C 4 58.800 58.800 62.243 -3.443 17821 6218 1 20 . 1 1 4 4 THR CB C 4 67.000 67.000 70.113 -3.113 17821 6219 1 20 . 1 1 4 4 THR H H 4 7.980 7.980 8.448 -0.468 17821 6220 1 20 . 1 1 5 5 MET N N 5 124.400 124.400 124.170 0.230 17821 6221 1 20 . 1 1 5 5 MET C C 5 171.200 171.200 174.230 -3.030 17821 6222 1 20 . 1 1 5 5 MET CA C 5 50.400 50.400 52.851 -2.451 17821 6223 1 20 . 1 1 5 5 MET CB C 5 29.600 29.600 32.707 -3.107 17821 6224 1 20 . 1 1 5 5 MET H H 5 8.250 8.250 8.376 -0.126 17821 6225 1 20 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.680 -0.400 17821 6226 1 20 . 1 1 6 6 PRO CA C 6 60.500 60.500 63.280 -2.780 17821 6227 1 20 . 1 1 6 6 PRO CB C 6 29.200 29.200 32.194 -2.994 17821 6228 1 20 . 1 1 7 7 GLY N N 7 109.000 109.000 104.940 4.060 17821 6229 1 20 . 1 1 7 7 GLY C C 7 171.200 171.200 173.924 -2.724 17821 6230 1 20 . 1 1 7 7 GLY CA C 7 42.400 42.400 44.523 -2.123 17821 6231 1 20 . 1 1 7 7 GLY H H 7 8.360 8.360 8.150 0.210 17821 6232 1 20 . 1 1 8 8 LEU N N 8 121.700 121.700 123.116 -1.416 17821 6233 1 20 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.524 -0.264 17821 6234 1 20 . 1 1 8 8 LEU C C 8 174.600 174.600 176.689 -2.089 17821 6235 1 20 . 1 1 8 8 LEU CA C 8 52.300 52.300 53.449 -1.149 17821 6236 1 20 . 1 1 8 8 LEU CB C 8 39.400 39.400 39.666 -0.266 17821 6237 1 20 . 1 1 8 8 LEU H H 8 7.920 7.920 7.989 -0.069 17821 6238 1 20 . 1 1 9 9 VAL N N 9 120.900 120.900 126.104 -5.204 17821 6239 1 20 . 1 1 9 9 VAL HA H 9 3.980 3.980 3.889 0.091 17821 6240 1 20 . 1 1 9 9 VAL C C 9 172.900 172.900 175.773 -2.873 17821 6241 1 20 . 1 1 9 9 VAL CA C 9 59.400 59.400 62.376 -2.976 17821 6242 1 20 . 1 1 9 9 VAL CB C 9 30.000 30.000 30.354 -0.354 17821 6243 1 20 . 1 1 9 9 VAL H H 9 8.050 8.050 8.029 0.021 17821 6244 1 20 . 1 1 10 10 ASP N N 10 124.300 124.300 126.615 -2.315 17821 6245 1 20 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.562 -0.092 17821 6246 1 20 . 1 1 10 10 ASP C C 10 173.100 173.100 175.787 -2.687 17821 6247 1 20 . 1 1 10 10 ASP CA C 10 51.500 51.500 54.230 -2.729 17821 6248 1 20 . 1 1 10 10 ASP CB C 10 38.300 38.300 40.736 -2.436 17821 6249 1 20 . 1 1 10 10 ASP H H 10 8.300 8.300 8.080 0.220 17821 6250 1 20 . 1 1 11 11 SER N N 11 116.400 116.400 119.369 -2.969 17821 6251 1 20 . 1 1 11 11 SER HA H 11 4.290 4.290 4.540 -0.250 17821 6252 1 20 . 1 1 11 11 SER C C 11 171.200 171.200 174.786 -3.586 17821 6253 1 20 . 1 1 11 11 SER CA C 11 55.500 55.500 57.663 -2.163 17821 6254 1 20 . 1 1 11 11 SER CB C 11 60.900 60.900 64.170 -3.270 17821 6255 1 20 . 1 1 11 11 SER H H 11 8.130 8.130 8.485 -0.355 17821 6256 1 20 . 1 1 12 12 ASN N N 12 121.600 121.600 119.050 2.550 17821 6257 1 20 . 1 1 12 12 ASN HA H 12 4.230 4.230 4.886 -0.656 17821 6258 1 20 . 1 1 12 12 ASN C C 12 170.000 170.000 173.537 -3.537 17821 6259 1 20 . 1 1 12 12 ASN CA C 12 56.500 56.500 51.642 4.858 17821 6260 1 20 . 1 1 12 12 ASN CB C 12 36.000 36.000 37.409 -1.409 17821 6261 1 20 . 1 1 12 12 ASN H H 12 8.360 8.360 8.648 -0.288 17821 6262 1 20 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.459 -0.169 17821 6263 1 20 . 1 1 13 13 PRO CA C 13 60.300 60.300 62.278 -1.978 17821 6264 1 20 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.071 -2.871 17821 6265 1 20 . 1 1 14 14 ALA N N 14 125.700 125.700 123.532 2.168 17821 6266 1 20 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.275 0.135 17821 6267 1 20 . 1 1 14 14 ALA C C 14 172.200 172.200 176.699 -4.499 17821 6268 1 20 . 1 1 14 14 ALA CA C 14 47.500 47.500 51.195 -3.695 17821 6269 1 20 . 1 1 14 14 ALA CB C 14 15.100 15.100 18.462 -3.362 17821 6270 1 20 . 1 1 14 14 ALA H H 14 8.260 8.260 8.240 0.020 17821 6271 1 20 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.607 -0.327 17821 6272 1 20 . 1 1 16 16 PRO CA C 16 60.500 60.500 63.091 -2.591 17821 6273 1 20 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.570 -3.370 17821 6274 1 20 . 1 1 17 17 GLU N N 17 120.600 120.600 120.701 -0.101 17821 6275 1 20 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.529 -0.409 17821 6276 1 20 . 1 1 17 17 GLU C C 17 173.900 173.900 174.910 -1.010 17821 6277 1 20 . 1 1 17 17 GLU CA C 17 54.100 54.100 55.578 -1.478 17821 6278 1 20 . 1 1 17 17 GLU CB C 17 27.100 27.100 31.739 -4.639 17821 6279 1 20 . 1 1 17 17 GLU H H 17 8.550 8.550 8.421 0.129 17821 6280 1 20 . 1 1 18 18 SER N N 18 116.400 116.400 116.293 0.107 17821 6281 1 20 . 1 1 18 18 SER HA H 18 4.310 4.310 4.644 -0.334 17821 6282 1 20 . 1 1 18 18 SER C C 18 171.900 171.900 174.657 -2.757 17821 6283 1 20 . 1 1 18 18 SER CA C 18 55.600 55.600 57.810 -2.210 17821 6284 1 20 . 1 1 18 18 SER CB C 18 60.800 60.800 64.910 -4.110 17821 6285 1 20 . 1 1 18 18 SER H H 18 8.240 8.240 8.164 0.076 17821 6286 1 20 . 1 1 19 19 GLN N N 19 122.300 122.300 119.587 2.713 17821 6287 1 20 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.349 -0.149 17821 6288 1 20 . 1 1 19 19 GLN C C 19 173.100 173.100 175.839 -2.739 17821 6289 1 20 . 1 1 19 19 GLN CA C 19 53.000 53.000 56.772 -3.772 17821 6290 1 20 . 1 1 19 19 GLN CB C 19 26.500 26.500 29.169 -2.669 17821 6291 1 20 . 1 1 19 19 GLN H H 19 8.310 8.310 8.566 -0.256 17821 6292 1 20 . 1 1 20 20 GLU N N 20 121.600 121.600 118.664 2.936 17821 6293 1 20 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.517 -0.227 17821 6294 1 20 . 1 1 20 20 GLU C C 20 173.500 173.500 174.943 -1.443 17821 6295 1 20 . 1 1 20 20 GLU CA C 20 53.900 53.900 54.571 -0.670 17821 6296 1 20 . 1 1 20 20 GLU CB C 20 27.400 27.400 31.290 -3.889 17821 6297 1 20 . 1 1 20 20 GLU H H 20 8.240 8.240 7.791 0.449 17821 6298 1 20 . 1 1 21 21 LYS N N 21 122.900 122.900 122.874 0.026 17821 6299 1 20 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.107 0.073 17821 6300 1 20 . 1 1 21 21 LYS C C 21 173.400 173.400 176.475 -3.075 17821 6301 1 20 . 1 1 21 21 LYS CA C 21 53.300 53.300 57.490 -4.190 17821 6302 1 20 . 1 1 21 21 LYS CB C 21 29.800 29.800 32.601 -2.801 17821 6303 1 20 . 1 1 21 21 LYS H H 21 8.260 8.260 8.671 -0.411 17821 6304 1 20 . 1 1 22 22 LYS N N 22 124.000 124.000 128.704 -4.704 17821 6305 1 20 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.630 -0.180 17821 6306 1 20 . 1 1 22 22 LYS C C 22 171.500 171.500 174.892 -3.392 17821 6307 1 20 . 1 1 22 22 LYS CA C 22 51.200 51.200 53.353 -2.153 17821 6308 1 20 . 1 1 22 22 LYS CB C 22 29.500 29.500 33.453 -3.953 17821 6309 1 20 . 1 1 22 22 LYS H H 22 8.220 8.220 8.493 -0.273 17821 6310 1 20 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.343 -0.053 17821 6311 1 20 . 1 1 23 23 PRO CA C 23 60.100 60.100 62.503 -2.403 17821 6312 1 20 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.267 -3.067 17821 6313 1 20 . 1 1 24 24 LEU N N 24 122.700 122.700 123.984 -1.284 17821 6314 1 20 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.395 -0.235 17821 6315 1 20 . 1 1 24 24 LEU C C 24 174.400 174.400 176.691 -2.291 17821 6316 1 20 . 1 1 24 24 LEU CA C 24 52.400 52.400 55.166 -2.766 17821 6317 1 20 . 1 1 24 24 LEU CB C 24 39.600 39.600 43.061 -3.461 17821 6318 1 20 . 1 1 24 24 LEU H H 24 8.270 8.270 8.222 0.048 17821 6319 1 20 . 1 1 25 25 LYS N N 25 123.400 123.400 124.448 -1.048 17821 6320 1 20 . 1 1 25 25 LYS C C 25 171.600 171.600 174.596 -2.996 17821 6321 1 20 . 1 1 25 25 LYS CA C 25 50.900 50.900 53.690 -2.790 17821 6322 1 20 . 1 1 25 25 LYS CB C 25 29.800 29.800 33.016 -3.216 17821 6323 1 20 . 1 1 25 25 LYS H H 25 8.180 8.180 8.242 -0.062 17821 6324 1 20 . 1 1 28 28 CYS CA C 28 46.000 46.000 59.728 -13.728 17821 6325 1 20 . 1 1 28 28 CYS CB C 28 31.000 31.000 26.614 4.386 17821 6326 1 20 . 1 1 29 29 ALA N N 29 123.800 123.800 121.144 2.656 17821 6327 1 20 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.613 -0.463 17821 6328 1 20 . 1 1 29 29 ALA C C 29 173.200 173.200 176.605 -3.405 17821 6329 1 20 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.611 -1.911 17821 6330 1 20 . 1 1 29 29 ALA CB C 29 17.600 17.600 21.076 -3.477 17821 6331 1 20 . 1 1 29 29 ALA H H 29 8.050 8.050 7.695 0.355 17821 6332 1 20 . 1 1 30 30 SER N N 30 112.800 112.800 115.497 -2.697 17821 6333 1 20 . 1 1 30 30 SER HA H 30 4.580 4.580 5.350 -0.770 17821 6334 1 20 . 1 1 30 30 SER C C 30 173.300 173.300 173.793 -0.493 17821 6335 1 20 . 1 1 30 30 SER CA C 30 52.600 52.600 55.784 -3.184 17821 6336 1 20 . 1 1 30 30 SER CB C 30 59.400 59.400 62.960 -3.560 17821 6337 1 20 . 1 1 30 30 SER H H 30 8.270 8.270 8.710 -0.440 17821 6338 1 20 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.210 -0.050 17821 6339 1 20 . 1 1 31 31 PRO CA C 31 61.800 61.800 64.948 -3.148 17821 6340 1 20 . 1 1 31 31 PRO CB C 31 29.300 29.300 32.008 -2.708 17821 6341 1 20 . 1 1 32 32 GLU N N 32 119.100 119.100 118.577 0.523 17821 6342 1 20 . 1 1 32 32 GLU HA H 32 4.060 4.060 3.984 0.076 17821 6343 1 20 . 1 1 32 32 GLU C C 32 177.300 177.300 178.759 -1.459 17821 6344 1 20 . 1 1 32 32 GLU CA C 32 56.900 56.900 60.623 -3.723 17821 6345 1 20 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.565 -2.565 17821 6346 1 20 . 1 1 32 32 GLU H H 32 8.720 8.720 8.832 -0.113 17821 6347 1 20 . 1 1 33 33 THR N N 33 110.800 110.800 111.727 -0.927 17821 6348 1 20 . 1 1 33 33 THR HA H 33 4.040 4.040 4.136 -0.096 17821 6349 1 20 . 1 1 33 33 THR C C 33 176.000 176.000 176.435 -0.435 17821 6350 1 20 . 1 1 33 33 THR CA C 33 61.700 61.700 65.477 -3.777 17821 6351 1 20 . 1 1 33 33 THR CB C 33 64.100 64.100 68.774 -4.674 17821 6352 1 20 . 1 1 33 33 THR H H 33 7.620 7.620 8.008 -0.388 17821 6353 1 20 . 1 1 34 34 LYS N N 34 127.100 127.100 123.094 4.006 17821 6354 1 20 . 1 1 34 34 LYS HA H 34 2.920 2.920 4.060 -1.140 17821 6355 1 20 . 1 1 34 34 LYS C C 34 174.300 174.300 178.396 -4.096 17821 6356 1 20 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.135 -1.835 17821 6357 1 20 . 1 1 34 34 LYS CB C 34 30.000 30.000 31.774 -1.774 17821 6358 1 20 . 1 1 34 34 LYS H H 34 7.740 7.740 7.315 0.425 17821 6359 1 20 . 1 1 35 35 LYS N N 35 118.500 118.500 119.851 -1.351 17821 6360 1 20 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.036 -0.146 17821 6361 1 20 . 1 1 35 35 LYS C C 35 176.500 176.500 179.111 -2.611 17821 6362 1 20 . 1 1 35 35 LYS CA C 35 56.700 56.700 59.010 -2.309 17821 6363 1 20 . 1 1 35 35 LYS CB C 35 29.500 29.500 31.858 -2.358 17821 6364 1 20 . 1 1 35 35 LYS H H 35 7.880 7.880 8.428 -0.548 17821 6365 1 20 . 1 1 36 36 ALA N N 36 120.100 120.100 121.891 -1.791 17821 6366 1 20 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.203 -0.163 17821 6367 1 20 . 1 1 36 36 ALA C C 36 177.600 177.600 179.737 -2.137 17821 6368 1 20 . 1 1 36 36 ALA CA C 36 52.000 52.000 54.771 -2.771 17821 6369 1 20 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.359 -2.959 17821 6370 1 20 . 1 1 36 36 ALA H H 36 7.490 7.490 8.231 -0.741 17821 6371 1 20 . 1 1 37 37 ARG N N 37 118.500 118.500 119.732 -1.232 17821 6372 1 20 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.945 -0.325 17821 6373 1 20 . 1 1 37 37 ARG C C 37 174.100 174.100 178.501 -4.401 17821 6374 1 20 . 1 1 37 37 ARG CA C 37 56.600 56.600 60.438 -3.837 17821 6375 1 20 . 1 1 37 37 ARG CB C 37 27.100 27.100 30.082 -2.982 17821 6376 1 20 . 1 1 37 37 ARG H H 37 7.630 7.630 8.140 -0.510 17821 6377 1 20 . 1 1 38 38 ASP N N 38 120.200 120.200 119.433 0.767 17821 6378 1 20 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.371 -0.101 17821 6379 1 20 . 1 1 38 38 ASP C C 38 175.500 175.500 178.554 -3.054 17821 6380 1 20 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.283 -2.583 17821 6381 1 20 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.158 -3.958 17821 6382 1 20 . 1 1 38 38 ASP H H 38 8.680 8.680 8.323 0.357 17821 6383 1 20 . 1 1 39 39 ALA N N 39 121.100 121.100 122.139 -1.039 17821 6384 1 20 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.078 -0.068 17821 6385 1 20 . 1 1 39 39 ALA C C 39 176.800 176.800 179.589 -2.789 17821 6386 1 20 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.376 -3.276 17821 6387 1 20 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.255 -3.055 17821 6388 1 20 . 1 1 39 39 ALA H H 39 8.040 8.040 8.088 -0.048 17821 6389 1 20 . 1 1 40 40 CYS N N 40 117.600 117.600 117.996 -0.396 17821 6390 1 20 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.197 -0.017 17821 6391 1 20 . 1 1 40 40 CYS C C 40 173.800 173.800 176.949 -3.149 17821 6392 1 20 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.822 -4.922 17821 6393 1 20 . 1 1 40 40 CYS CB C 40 36.400 36.400 26.117 10.283 17821 6394 1 20 . 1 1 40 40 CYS H H 40 7.340 7.340 8.046 -0.706 17821 6395 1 20 . 1 1 41 41 ILE N N 41 121.500 121.500 121.029 0.471 17821 6396 1 20 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.774 -0.724 17821 6397 1 20 . 1 1 41 41 ILE C C 41 176.100 176.100 178.318 -2.218 17821 6398 1 20 . 1 1 41 41 ILE CA C 41 63.400 63.400 65.117 -1.717 17821 6399 1 20 . 1 1 41 41 ILE CB C 41 35.300 35.300 38.006 -2.706 17821 6400 1 20 . 1 1 41 41 ILE H H 41 8.230 8.230 8.587 -0.357 17821 6401 1 20 . 1 1 42 42 ILE N N 42 119.200 119.200 119.805 -0.605 17821 6402 1 20 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.671 0.019 17821 6403 1 20 . 1 1 42 42 ILE C C 42 174.200 174.200 178.039 -3.839 17821 6404 1 20 . 1 1 42 42 ILE CA C 42 61.300 61.300 65.012 -3.712 17821 6405 1 20 . 1 1 42 42 ILE CB C 42 35.800 35.800 37.954 -2.154 17821 6406 1 20 . 1 1 42 42 ILE H H 42 7.770 7.770 8.233 -0.463 17821 6407 1 20 . 1 1 43 43 GLU N N 43 118.700 118.700 118.529 0.171 17821 6408 1 20 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.230 -0.180 17821 6409 1 20 . 1 1 43 43 GLU C C 43 175.300 175.300 177.727 -2.427 17821 6410 1 20 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.627 -2.327 17821 6411 1 20 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.428 -2.228 17821 6412 1 20 . 1 1 43 43 GLU H H 43 7.600 7.600 8.246 -0.646 17821 6413 1 20 . 1 1 44 44 LYS N N 44 114.600 114.600 115.231 -0.631 17821 6414 1 20 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.609 -0.159 17821 6415 1 20 . 1 1 44 44 LYS C C 44 174.500 174.500 175.577 -1.077 17821 6416 1 20 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.320 -2.520 17821 6417 1 20 . 1 1 44 44 LYS CB C 44 32.700 32.700 35.258 -2.558 17821 6418 1 20 . 1 1 44 44 LYS H H 44 8.860 8.860 8.577 0.283 17821 6419 1 20 . 1 1 45 45 GLY N N 45 108.700 108.700 108.186 0.514 17821 6420 1 20 . 1 1 45 45 GLY C C 45 171.000 171.000 174.948 -3.948 17821 6421 1 20 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.542 -3.242 17821 6422 1 20 . 1 1 45 45 GLY H H 45 7.690 7.690 7.477 0.213 17821 6423 1 20 . 1 1 46 46 GLU N N 46 120.800 120.800 122.459 -1.659 17821 6424 1 20 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.948 -0.508 17821 6425 1 20 . 1 1 46 46 GLU C C 46 175.800 175.800 178.053 -2.253 17821 6426 1 20 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.269 -0.969 17821 6427 1 20 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.463 -2.364 17821 6428 1 20 . 1 1 46 46 GLU H H 46 8.900 8.900 8.994 -0.094 17821 6429 1 20 . 1 1 47 47 GLU N N 47 118.700 118.700 116.608 2.092 17821 6430 1 20 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.087 -0.147 17821 6431 1 20 . 1 1 47 47 GLU C C 47 174.300 174.300 177.088 -2.788 17821 6432 1 20 . 1 1 47 47 GLU CA C 47 55.900 55.900 57.273 -1.373 17821 6433 1 20 . 1 1 47 47 GLU CB C 47 25.500 25.500 28.645 -3.145 17821 6434 1 20 . 1 1 47 47 GLU H H 47 9.530 9.530 8.643 0.887 17821 6435 1 20 . 1 1 48 48 HIS N N 48 117.500 117.500 116.530 0.970 17821 6436 1 20 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.808 0.062 17821 6437 1 20 . 1 1 48 48 HIS C C 48 173.300 173.300 175.047 -1.747 17821 6438 1 20 . 1 1 48 48 HIS CA C 48 53.100 53.100 55.562 -2.462 17821 6439 1 20 . 1 1 48 48 HIS CB C 48 28.900 28.900 31.253 -2.353 17821 6440 1 20 . 1 1 48 48 HIS H H 48 7.500 7.500 7.648 -0.148 17821 6441 1 20 . 1 1 49 49 CYS N N 49 116.100 116.100 120.277 -4.177 17821 6442 1 20 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.912 0.138 17821 6443 1 20 . 1 1 49 49 CYS C C 49 173.700 173.700 176.029 -2.329 17821 6444 1 20 . 1 1 49 49 CYS CA C 49 51.700 51.700 58.031 -6.330 17821 6445 1 20 . 1 1 49 49 CYS CB C 49 39.500 39.500 26.049 13.451 17821 6446 1 20 . 1 1 49 49 CYS H H 49 7.460 7.460 8.044 -0.584 17821 6447 1 20 . 1 1 50 50 GLY N N 50 112.900 112.900 109.767 3.133 17821 6448 1 20 . 1 1 50 50 GLY C C 50 172.500 172.500 176.052 -3.552 17821 6449 1 20 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.533 -2.233 17821 6450 1 20 . 1 1 50 50 GLY H H 50 9.150 9.150 8.735 0.415 17821 6451 1 20 . 1 1 51 51 HIS C C 51 175.400 175.400 177.416 -2.016 17821 6452 1 20 . 1 1 51 51 HIS CA C 51 56.400 56.400 56.506 -0.106 17821 6453 1 20 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.209 -3.209 17821 6454 1 20 . 1 1 52 52 LEU N N 52 122.000 122.000 121.663 0.337 17821 6455 1 20 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.250 -0.140 17821 6456 1 20 . 1 1 52 52 LEU C C 52 177.700 177.700 178.661 -0.961 17821 6457 1 20 . 1 1 52 52 LEU CA C 52 53.800 53.800 57.025 -3.225 17821 6458 1 20 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.283 -1.783 17821 6459 1 20 . 1 1 52 52 LEU H H 52 6.810 6.810 7.883 -1.073 17821 6460 1 20 . 1 1 53 53 ILE N N 53 124.200 124.200 120.735 3.465 17821 6461 1 20 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.046 0.384 17821 6462 1 20 . 1 1 53 53 ILE C C 53 176.100 176.100 178.121 -2.021 17821 6463 1 20 . 1 1 53 53 ILE CA C 53 63.200 63.200 65.513 -2.313 17821 6464 1 20 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.756 -1.856 17821 6465 1 20 . 1 1 53 53 ILE H H 53 8.170 8.170 8.365 -0.195 17821 6466 1 20 . 1 1 54 54 GLU N N 54 120.600 120.600 119.914 0.686 17821 6467 1 20 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.852 0.178 17821 6468 1 20 . 1 1 54 54 GLU C C 54 175.400 175.400 178.649 -3.249 17821 6469 1 20 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.818 -3.718 17821 6470 1 20 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.597 -3.597 17821 6471 1 20 . 1 1 54 54 GLU H H 54 8.380 8.380 8.252 0.128 17821 6472 1 20 . 1 1 55 55 ALA N N 55 120.800 120.800 121.097 -0.297 17821 6473 1 20 . 1 1 55 55 ALA HA H 55 4.120 4.120 4.037 0.083 17821 6474 1 20 . 1 1 55 55 ALA C C 55 177.900 177.900 179.822 -1.922 17821 6475 1 20 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.344 -3.144 17821 6476 1 20 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.180 -3.080 17821 6477 1 20 . 1 1 55 55 ALA H H 55 7.880 7.880 8.002 -0.122 17821 6478 1 20 . 1 1 56 56 HIS N N 56 117.400 117.400 116.855 0.545 17821 6479 1 20 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.372 -0.072 17821 6480 1 20 . 1 1 56 56 HIS C C 56 173.500 173.500 177.303 -3.803 17821 6481 1 20 . 1 1 56 56 HIS CA C 56 57.000 57.000 58.314 -1.314 17821 6482 1 20 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.341 -1.041 17821 6483 1 20 . 1 1 56 56 HIS H H 56 7.640 7.640 8.382 -0.742 17821 6484 1 20 . 1 1 57 57 LYS N N 57 119.200 119.200 120.764 -1.564 17821 6485 1 20 . 1 1 57 57 LYS HA H 57 3.600 3.600 4.103 -0.503 17821 6486 1 20 . 1 1 57 57 LYS C C 57 176.200 176.200 179.004 -2.804 17821 6487 1 20 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.199 -1.599 17821 6488 1 20 . 1 1 57 57 LYS CB C 57 29.500 29.500 31.600 -2.100 17821 6489 1 20 . 1 1 57 57 LYS H H 57 7.620 7.620 8.362 -0.742 17821 6490 1 20 . 1 1 58 58 GLU N N 58 118.400 118.400 120.378 -1.978 17821 6491 1 20 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.024 -0.054 17821 6492 1 20 . 1 1 58 58 GLU C C 58 176.200 176.200 178.878 -2.678 17821 6493 1 20 . 1 1 58 58 GLU CA C 58 56.200 56.200 59.106 -2.906 17821 6494 1 20 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.368 -3.068 17821 6495 1 20 . 1 1 58 58 GLU H H 58 8.490 8.490 8.277 0.213 17821 6496 1 20 . 1 1 59 59 SER N N 59 116.100 116.100 115.263 0.837 17821 6497 1 20 . 1 1 59 59 SER HA H 59 4.150 4.150 4.211 -0.061 17821 6498 1 20 . 1 1 59 59 SER CA C 59 58.400 58.400 61.328 -2.928 17821 6499 1 20 . 1 1 59 59 SER CB C 59 60.300 60.300 63.245 -2.945 17821 6500 1 20 . 1 1 59 59 SER H H 59 7.790 7.790 8.210 -0.420 17821 6501 1 20 . 1 1 60 60 MET N N 60 117.500 117.500 118.565 -1.065 17821 6502 1 20 . 1 1 60 60 MET HA H 60 4.170 4.170 4.263 -0.093 17821 6503 1 20 . 1 1 60 60 MET C C 60 176.400 176.400 178.321 -1.921 17821 6504 1 20 . 1 1 60 60 MET CA C 60 54.400 54.400 57.030 -2.630 17821 6505 1 20 . 1 1 60 60 MET CB C 60 29.100 29.100 32.913 -3.813 17821 6506 1 20 . 1 1 60 60 MET H H 60 7.880 7.880 8.169 -0.289 17821 6507 1 20 . 1 1 61 61 ARG N N 61 121.300 121.300 121.465 -0.165 17821 6508 1 20 . 1 1 61 61 ARG HA H 61 4.170 4.170 3.999 0.171 17821 6509 1 20 . 1 1 61 61 ARG C C 61 177.500 177.500 178.379 -0.879 17821 6510 1 20 . 1 1 61 61 ARG CA C 61 56.100 56.100 59.313 -3.213 17821 6511 1 20 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.232 -2.732 17821 6512 1 20 . 1 1 61 61 ARG H H 61 8.290 8.290 8.211 0.079 17821 6513 1 20 . 1 1 62 62 ALA N N 62 123.200 123.200 122.319 0.881 17821 6514 1 20 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.143 -0.073 17821 6515 1 20 . 1 1 62 62 ALA C C 62 176.400 176.400 178.413 -2.013 17821 6516 1 20 . 1 1 62 62 ALA CA C 62 51.500 51.500 54.036 -2.536 17821 6517 1 20 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.378 -3.278 17821 6518 1 20 . 1 1 62 62 ALA H H 62 7.950 7.950 8.001 -0.051 17821 6519 1 20 . 1 1 63 63 LEU N N 63 117.500 117.500 117.457 0.043 17821 6520 1 20 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.219 -0.019 17821 6521 1 20 . 1 1 63 63 LEU C C 63 174.400 174.400 177.590 -3.190 17821 6522 1 20 . 1 1 63 63 LEU CA C 63 52.900 52.900 54.648 -1.748 17821 6523 1 20 . 1 1 63 63 LEU CB C 63 39.800 39.800 40.986 -1.186 17821 6524 1 20 . 1 1 63 63 LEU H H 63 7.450 7.450 7.541 -0.091 17821 6525 1 20 . 1 1 64 64 GLY N N 64 106.300 106.300 108.116 -1.816 17821 6526 1 20 . 1 1 64 64 GLY C C 64 171.400 171.400 175.393 -3.993 17821 6527 1 20 . 1 1 64 64 GLY CA C 64 42.100 42.100 46.301 -4.201 17821 6528 1 20 . 1 1 64 64 GLY H H 64 7.780 7.780 7.993 -0.213 17821 6529 1 20 . 1 1 65 65 PHE N N 65 119.800 119.800 116.478 3.322 17821 6530 1 20 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.772 -0.302 17821 6531 1 20 . 1 1 65 65 PHE C C 65 172.300 172.300 176.006 -3.706 17821 6532 1 20 . 1 1 65 65 PHE CA C 65 54.900 54.900 55.409 -0.509 17821 6533 1 20 . 1 1 65 65 PHE CB C 65 36.900 36.900 38.497 -1.597 17821 6534 1 20 . 1 1 65 65 PHE H H 65 7.840 7.840 7.486 0.354 17821 6535 1 20 . 1 1 66 66 LYS N N 66 124.000 124.000 121.701 2.299 17821 6536 1 20 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.484 -0.224 17821 6537 1 20 . 1 1 66 66 LYS C C 66 172.200 172.200 175.850 -3.650 17821 6538 1 20 . 1 1 66 66 LYS CA C 66 53.200 53.200 57.407 -4.207 17821 6539 1 20 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.450 -4.150 17821 6540 1 20 . 1 1 66 66 LYS H H 66 8.370 8.370 8.270 0.100 17821 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 53 2.440 -0.445 2.422 17821 2 1 1 "Average Difference" HA 60 0.316 0.126 0.292 17821 3 1 1 "Average Difference" C 53 2.753 2.547 1.055 17821 4 1 1 "Average Difference" CA 60 3.378 2.667 2.091 17821 5 1 1 "Average Difference" CB 56 3.748 2.250 3.024 17821 6 1 1 "Average Difference" HN 53 0.425 0.093 0.419 17821 7 1 2 "Average Difference" N 53 1.799 -0.051 1.815 17821 8 1 2 "Average Difference" HA 60 0.340 0.131 0.317 17821 9 1 2 "Average Difference" C 53 2.722 2.567 0.916 17821 10 1 2 "Average Difference" CA 60 3.466 2.848 1.992 17821 11 1 2 "Average Difference" CB 56 3.699 2.273 2.945 17821 12 1 2 "Average Difference" HN 53 0.406 0.126 0.390 17821 13 1 3 "Average Difference" N 53 1.950 -0.139 1.964 17821 14 1 3 "Average Difference" HA 60 0.322 0.115 0.303 17821 15 1 3 "Average Difference" C 53 2.724 2.541 0.991 17821 16 1 3 "Average Difference" CA 60 3.412 2.854 1.886 17821 17 1 3 "Average Difference" CB 56 3.708 2.225 2.993 17821 18 1 3 "Average Difference" HN 53 0.389 0.096 0.381 17821 19 1 4 "Average Difference" N 53 2.066 -0.263 2.069 17821 20 1 4 "Average Difference" HA 60 0.309 0.111 0.291 17821 21 1 4 "Average Difference" C 53 2.734 2.550 0.994 17821 22 1 4 "Average Difference" CA 60 3.451 2.893 1.897 17821 23 1 4 "Average Difference" CB 56 3.689 2.288 2.920 17821 24 1 4 "Average Difference" HN 53 0.406 0.112 0.394 17821 25 1 5 "Average Difference" N 53 1.901 0.130 1.915 17821 26 1 5 "Average Difference" HA 60 0.311 0.102 0.296 17821 27 1 5 "Average Difference" C 53 2.741 2.561 0.986 17821 28 1 5 "Average Difference" CA 60 3.399 2.817 1.919 17821 29 1 5 "Average Difference" CB 56 3.635 2.260 2.872 17821 30 1 5 "Average Difference" HN 53 0.369 0.120 0.352 17821 31 1 6 "Average Difference" N 53 2.066 -0.314 2.062 17821 32 1 6 "Average Difference" HA 60 0.309 0.143 0.276 17821 33 1 6 "Average Difference" C 53 2.762 2.565 1.034 17821 34 1 6 "Average Difference" CA 60 3.371 2.758 1.955 17821 35 1 6 "Average Difference" CB 56 3.647 2.128 2.989 17821 36 1 6 "Average Difference" HN 53 0.382 0.089 0.375 17821 37 1 7 "Average Difference" N 53 1.875 0.262 1.874 17821 38 1 7 "Average Difference" HA 60 0.312 0.148 0.277 17821 39 1 7 "Average Difference" C 53 2.679 2.509 0.949 17821 40 1 7 "Average Difference" CA 60 3.370 2.758 1.953 17821 41 1 7 "Average Difference" CB 56 3.666 2.394 2.801 17821 42 1 7 "Average Difference" HN 53 0.418 0.139 0.398 17821 43 1 8 "Average Difference" N 53 2.052 -0.085 2.070 17821 44 1 8 "Average Difference" HA 60 0.308 0.126 0.284 17821 45 1 8 "Average Difference" C 53 2.693 2.503 1.002 17821 46 1 8 "Average Difference" CA 60 3.387 2.723 2.032 17821 47 1 8 "Average Difference" CB 56 3.676 2.181 2.985 17821 48 1 8 "Average Difference" HN 53 0.405 0.101 0.396 17821 49 1 9 "Average Difference" N 53 1.877 -0.095 1.893 17821 50 1 9 "Average Difference" HA 60 0.289 0.123 0.264 17821 51 1 9 "Average Difference" C 53 2.840 2.674 0.968 17821 52 1 9 "Average Difference" CA 60 3.387 2.823 1.887 17821 53 1 9 "Average Difference" CB 56 3.623 2.130 2.958 17821 54 1 9 "Average Difference" HN 53 0.452 0.101 0.445 17821 55 1 10 "Average Difference" N 53 1.745 -0.001 1.762 17821 56 1 10 "Average Difference" HA 60 0.317 0.118 0.297 17821 57 1 10 "Average Difference" C 53 2.778 2.611 0.958 17821 58 1 10 "Average Difference" CA 60 3.405 2.808 1.942 17821 59 1 10 "Average Difference" CB 56 3.594 2.234 2.841 17821 60 1 10 "Average Difference" HN 53 0.406 0.107 0.395 17821 61 1 11 "Average Difference" N 53 2.065 -0.082 2.083 17821 62 1 11 "Average Difference" HA 60 0.273 0.099 0.256 17821 63 1 11 "Average Difference" C 53 2.841 2.657 1.016 17821 64 1 11 "Average Difference" CA 60 3.372 2.790 1.908 17821 65 1 11 "Average Difference" CB 56 3.618 2.114 2.962 17821 66 1 11 "Average Difference" HN 53 0.426 0.069 0.424 17821 67 1 12 "Average Difference" N 53 1.962 -0.007 1.981 17821 68 1 12 "Average Difference" HA 60 0.346 0.137 0.320 17821 69 1 12 "Average Difference" C 53 2.646 2.450 1.010 17821 70 1 12 "Average Difference" CA 60 3.310 2.748 1.861 17821 71 1 12 "Average Difference" CB 56 3.784 2.311 3.024 17821 72 1 12 "Average Difference" HN 53 0.489 0.143 0.472 17821 73 1 13 "Average Difference" N 53 2.010 0.088 2.027 17821 74 1 13 "Average Difference" HA 60 0.308 0.118 0.287 17821 75 1 13 "Average Difference" C 53 2.645 2.462 0.976 17821 76 1 13 "Average Difference" CA 60 3.389 2.819 1.897 17821 77 1 13 "Average Difference" CB 56 3.723 2.288 2.964 17821 78 1 13 "Average Difference" HN 53 0.422 0.117 0.409 17821 79 1 14 "Average Difference" N 53 2.223 -0.188 2.236 17821 80 1 14 "Average Difference" HA 60 0.312 0.117 0.291 17821 81 1 14 "Average Difference" C 53 2.812 2.616 1.041 17821 82 1 14 "Average Difference" CA 60 3.315 2.755 1.858 17821 83 1 14 "Average Difference" CB 56 3.649 2.058 3.040 17821 84 1 14 "Average Difference" HN 53 0.499 0.113 0.491 17821 85 1 15 "Average Difference" N 53 2.197 -0.270 2.202 17821 86 1 15 "Average Difference" HA 60 0.321 0.115 0.303 17821 87 1 15 "Average Difference" C 53 2.707 2.518 1.004 17821 88 1 15 "Average Difference" CA 60 3.388 2.776 1.959 17821 89 1 15 "Average Difference" CB 56 3.654 2.249 2.906 17821 90 1 15 "Average Difference" HN 53 0.443 0.072 0.441 17821 91 1 16 "Average Difference" N 53 2.085 0.272 2.087 17821 92 1 16 "Average Difference" HA 60 0.297 0.121 0.274 17821 93 1 16 "Average Difference" C 53 2.716 2.538 0.978 17821 94 1 16 "Average Difference" CA 60 3.314 2.809 1.773 17821 95 1 16 "Average Difference" CB 56 3.594 2.217 2.854 17821 96 1 16 "Average Difference" HN 53 0.380 0.120 0.364 17821 97 1 17 "Average Difference" N 53 2.113 -0.179 2.125 17821 98 1 17 "Average Difference" HA 60 0.316 0.126 0.293 17821 99 1 17 "Average Difference" C 53 2.816 2.598 1.098 17821 100 1 17 "Average Difference" CA 60 3.420 2.851 1.904 17821 101 1 17 "Average Difference" CB 56 3.725 2.263 2.985 17821 102 1 17 "Average Difference" HN 53 0.451 0.168 0.423 17821 103 1 18 "Average Difference" N 53 1.980 -0.522 1.928 17821 104 1 18 "Average Difference" HA 60 0.329 0.134 0.302 17821 105 1 18 "Average Difference" C 53 2.701 2.528 0.960 17821 106 1 18 "Average Difference" CA 60 3.426 2.737 2.079 17821 107 1 18 "Average Difference" CB 56 3.796 2.302 3.046 17821 108 1 18 "Average Difference" HN 53 0.417 0.095 0.410 17821 109 1 19 "Average Difference" N 53 2.221 -0.167 2.236 17821 110 1 19 "Average Difference" HA 60 0.273 0.092 0.259 17821 111 1 19 "Average Difference" C 53 2.705 2.527 0.975 17821 112 1 19 "Average Difference" CA 60 3.375 2.879 1.777 17821 113 1 19 "Average Difference" CB 56 3.597 2.144 2.915 17821 114 1 19 "Average Difference" HN 53 0.454 0.095 0.448 17821 115 1 20 "Average Difference" N 53 2.143 0.068 2.162 17821 116 1 20 "Average Difference" HA 60 0.328 0.119 0.309 17821 117 1 20 "Average Difference" C 53 2.832 2.659 0.984 17821 118 1 20 "Average Difference" CA 60 3.402 2.731 2.047 17821 119 1 20 "Average Difference" CB 56 3.715 2.165 3.047 17821 120 1 20 "Average Difference" HN 53 0.401 0.133 0.382 17821 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 17821 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 4 4 THR N N 4 117.400 117.400 117.177 0.223 17821 2 1 . 1 1 4 4 THR HA H 4 4.130 4.130 4.368 -0.238 17821 3 1 . 1 1 4 4 THR C C 4 170.800 170.800 173.780 -2.979 17821 4 1 . 1 1 4 4 THR CA C 4 58.800 58.800 61.687 -2.887 17821 5 1 . 1 1 4 4 THR CB C 4 67.000 67.000 69.690 -2.690 17821 6 1 . 1 1 4 4 THR H H 4 7.980 7.980 8.069 -0.089 17821 7 1 . 1 1 5 5 MET N N 5 124.400 124.400 123.044 1.356 17821 8 1 . 1 1 5 5 MET C C 5 171.200 171.200 174.478 -3.278 17821 9 1 . 1 1 5 5 MET CA C 5 50.400 50.400 53.457 -3.057 17821 10 1 . 1 1 5 5 MET CB C 5 29.600 29.600 32.680 -3.080 17821 11 1 . 1 1 5 5 MET H H 5 8.250 8.250 8.185 0.065 17821 12 1 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.463 -0.183 17821 13 1 . 1 1 6 6 PRO CA C 6 60.500 60.500 63.311 -2.811 17821 14 1 . 1 1 6 6 PRO CB C 6 29.200 29.200 32.170 -2.970 17821 15 1 . 1 1 7 7 GLY N N 7 109.000 109.000 110.041 -1.041 17821 16 1 . 1 1 7 7 GLY C C 7 171.200 171.200 175.006 -3.806 17821 17 1 . 1 1 7 7 GLY CA C 7 42.400 42.400 45.346 -2.946 17821 18 1 . 1 1 7 7 GLY H H 7 8.360 8.360 8.565 -0.205 17821 19 1 . 1 1 8 8 LEU N N 8 121.700 121.700 121.892 -0.192 17821 20 1 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.479 -0.219 17821 21 1 . 1 1 8 8 LEU C C 8 174.600 174.600 176.274 -1.674 17821 22 1 . 1 1 8 8 LEU CA C 8 52.300 52.300 54.717 -2.417 17821 23 1 . 1 1 8 8 LEU CB C 8 39.400 39.400 40.381 -0.981 17821 24 1 . 1 1 8 8 LEU H H 8 7.920 7.920 7.978 -0.058 17821 25 1 . 1 1 9 9 VAL N N 9 120.900 120.900 119.617 1.283 17821 26 1 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.313 -0.333 17821 27 1 . 1 1 9 9 VAL C C 9 172.900 172.900 175.132 -2.232 17821 28 1 . 1 1 9 9 VAL CA C 9 59.400 59.400 61.121 -1.721 17821 29 1 . 1 1 9 9 VAL CB C 9 30.000 30.000 33.378 -3.378 17821 30 1 . 1 1 9 9 VAL H H 9 8.050 8.050 7.658 0.392 17821 31 1 . 1 1 10 10 ASP N N 10 124.300 124.300 126.059 -1.759 17821 32 1 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.750 -0.280 17821 33 1 . 1 1 10 10 ASP C C 10 173.100 173.100 175.849 -2.749 17821 34 1 . 1 1 10 10 ASP CA C 10 51.500 51.500 54.185 -2.685 17821 35 1 . 1 1 10 10 ASP CB C 10 38.300 38.300 40.998 -2.698 17821 36 1 . 1 1 10 10 ASP H H 10 8.300 8.300 8.515 -0.214 17821 37 1 . 1 1 11 11 SER N N 11 116.400 116.400 118.220 -1.820 17821 38 1 . 1 1 11 11 SER HA H 11 4.290 4.290 4.459 -0.169 17821 39 1 . 1 1 11 11 SER C C 11 171.200 171.200 174.061 -2.861 17821 40 1 . 1 1 11 11 SER CA C 11 55.500 55.500 58.158 -2.658 17821 41 1 . 1 1 11 11 SER CB C 11 60.900 60.900 63.817 -2.917 17821 42 1 . 1 1 11 11 SER H H 11 8.130 8.130 8.389 -0.259 17821 43 1 . 1 1 12 12 ASN N N 12 121.600 121.600 121.165 0.435 17821 44 1 . 1 1 12 12 ASN HA H 12 4.230 4.230 4.925 -0.695 17821 45 1 . 1 1 12 12 ASN C C 12 170.000 170.000 173.484 -3.484 17821 46 1 . 1 1 12 12 ASN CA C 12 56.500 56.500 51.861 4.639 17821 47 1 . 1 1 12 12 ASN CB C 12 36.000 36.000 38.664 -2.664 17821 48 1 . 1 1 12 12 ASN H H 12 8.360 8.360 8.257 0.103 17821 49 1 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.480 -0.190 17821 50 1 . 1 1 13 13 PRO CA C 13 60.300 60.300 62.828 -2.528 17821 51 1 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.320 -3.120 17821 52 1 . 1 1 14 14 ALA N N 14 125.700 125.700 123.553 2.147 17821 53 1 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.325 0.085 17821 54 1 . 1 1 14 14 ALA C C 14 172.200 172.200 176.199 -3.999 17821 55 1 . 1 1 14 14 ALA CA C 14 47.500 47.500 51.218 -3.718 17821 56 1 . 1 1 14 14 ALA CB C 14 15.100 15.100 18.186 -3.086 17821 57 1 . 1 1 14 14 ALA H H 14 8.260 8.260 8.249 0.011 17821 58 1 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.535 -0.255 17821 59 1 . 1 1 16 16 PRO CA C 16 60.500 60.500 62.951 -2.451 17821 60 1 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.352 -3.152 17821 61 1 . 1 1 17 17 GLU N N 17 120.600 120.600 120.444 0.156 17821 62 1 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.356 -0.236 17821 63 1 . 1 1 17 17 GLU C C 17 173.900 173.900 175.821 -1.921 17821 64 1 . 1 1 17 17 GLU CA C 17 54.100 54.100 56.251 -2.151 17821 65 1 . 1 1 17 17 GLU CB C 17 27.100 27.100 30.589 -3.489 17821 66 1 . 1 1 17 17 GLU H H 17 8.550 8.550 8.503 0.047 17821 67 1 . 1 1 18 18 SER N N 18 116.400 116.400 116.828 -0.428 17821 68 1 . 1 1 18 18 SER HA H 18 4.310 4.310 4.518 -0.208 17821 69 1 . 1 1 18 18 SER C C 18 171.900 171.900 174.246 -2.346 17821 70 1 . 1 1 18 18 SER CA C 18 55.600 55.600 58.123 -2.523 17821 71 1 . 1 1 18 18 SER CB C 18 60.800 60.800 63.916 -3.116 17821 72 1 . 1 1 18 18 SER H H 18 8.240 8.240 8.268 -0.028 17821 73 1 . 1 1 19 19 GLN N N 19 122.300 122.300 122.379 -0.079 17821 74 1 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.414 -0.214 17821 75 1 . 1 1 19 19 GLN C C 19 173.100 173.100 175.247 -2.147 17821 76 1 . 1 1 19 19 GLN CA C 19 53.000 53.000 55.835 -2.835 17821 77 1 . 1 1 19 19 GLN CB C 19 26.500 26.500 29.346 -2.846 17821 78 1 . 1 1 19 19 GLN H H 19 8.310 8.310 8.452 -0.142 17821 79 1 . 1 1 20 20 GLU N N 20 121.600 121.600 121.297 0.303 17821 80 1 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.438 -0.148 17821 81 1 . 1 1 20 20 GLU C C 20 173.500 173.500 175.692 -2.192 17821 82 1 . 1 1 20 20 GLU CA C 20 53.900 53.900 56.051 -2.151 17821 83 1 . 1 1 20 20 GLU CB C 20 27.400 27.400 30.914 -3.514 17821 84 1 . 1 1 20 20 GLU H H 20 8.240 8.240 8.326 -0.085 17821 85 1 . 1 1 21 21 LYS N N 21 122.900 122.900 122.643 0.257 17821 86 1 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.384 -0.204 17821 87 1 . 1 1 21 21 LYS C C 21 173.400 173.400 175.949 -2.549 17821 88 1 . 1 1 21 21 LYS CA C 21 53.300 53.300 56.197 -2.897 17821 89 1 . 1 1 21 21 LYS CB C 21 29.800 29.800 33.393 -3.593 17821 90 1 . 1 1 21 21 LYS H H 21 8.260 8.260 8.334 -0.074 17821 91 1 . 1 1 22 22 LYS N N 22 124.000 124.000 124.507 -0.507 17821 92 1 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.588 -0.138 17821 93 1 . 1 1 22 22 LYS C C 22 171.500 171.500 174.919 -3.419 17821 94 1 . 1 1 22 22 LYS CA C 22 51.200 51.200 54.380 -3.180 17821 95 1 . 1 1 22 22 LYS CB C 22 29.500 29.500 32.312 -2.813 17821 96 1 . 1 1 22 22 LYS H H 22 8.220 8.220 8.436 -0.216 17821 97 1 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.450 -0.160 17821 98 1 . 1 1 23 23 PRO CA C 23 60.100 60.100 62.773 -2.673 17821 99 1 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.319 -3.119 17821 100 1 . 1 1 24 24 LEU N N 24 122.700 122.700 122.015 0.685 17821 101 1 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.520 -0.360 17821 102 1 . 1 1 24 24 LEU C C 24 174.400 174.400 176.480 -2.080 17821 103 1 . 1 1 24 24 LEU CA C 24 52.400 52.400 54.706 -2.306 17821 104 1 . 1 1 24 24 LEU CB C 24 39.600 39.600 42.590 -2.990 17821 105 1 . 1 1 24 24 LEU H H 24 8.270 8.270 8.281 -0.011 17821 106 1 . 1 1 25 25 LYS N N 25 123.400 123.400 124.322 -0.922 17821 107 1 . 1 1 25 25 LYS C C 25 171.600 171.600 174.660 -3.060 17821 108 1 . 1 1 25 25 LYS CA C 25 50.900 50.900 54.195 -3.295 17821 109 1 . 1 1 25 25 LYS CB C 25 29.800 29.800 32.916 -3.116 17821 110 1 . 1 1 25 25 LYS H H 25 8.180 8.180 8.366 -0.186 17821 111 1 . 1 1 28 28 CYS CA C 28 46.000 46.000 59.233 -13.233 17821 112 1 . 1 1 28 28 CYS CB C 28 31.000 31.000 27.323 3.677 17821 113 1 . 1 1 29 29 ALA N N 29 123.800 123.800 123.497 0.303 17821 114 1 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.580 -0.430 17821 115 1 . 1 1 29 29 ALA C C 29 173.200 173.200 175.963 -2.763 17821 116 1 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.553 -1.853 17821 117 1 . 1 1 29 29 ALA CB C 29 17.600 17.600 20.992 -3.392 17821 118 1 . 1 1 29 29 ALA H H 29 8.050 8.050 7.756 0.294 17821 119 1 . 1 1 30 30 SER N N 30 112.800 112.800 115.186 -2.386 17821 120 1 . 1 1 30 30 SER HA H 30 4.580 4.580 5.023 -0.443 17821 121 1 . 1 1 30 30 SER C C 30 173.300 173.300 173.878 -0.578 17821 122 1 . 1 1 30 30 SER CA C 30 52.600 52.600 55.528 -2.928 17821 123 1 . 1 1 30 30 SER CB C 30 59.400 59.400 63.074 -3.674 17821 124 1 . 1 1 30 30 SER H H 30 8.270 8.270 8.665 -0.395 17821 125 1 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.254 -0.094 17821 126 1 . 1 1 31 31 PRO CA C 31 61.800 61.800 64.971 -3.171 17821 127 1 . 1 1 31 31 PRO CB C 31 29.300 29.300 31.965 -2.665 17821 128 1 . 1 1 32 32 GLU N N 32 119.100 119.100 117.970 1.130 17821 129 1 . 1 1 32 32 GLU HA H 32 4.060 4.060 4.065 -0.005 17821 130 1 . 1 1 32 32 GLU C C 32 177.300 177.300 178.485 -1.185 17821 131 1 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.758 -2.858 17821 132 1 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.597 -2.597 17821 133 1 . 1 1 32 32 GLU H H 32 8.720 8.720 8.892 -0.172 17821 134 1 . 1 1 33 33 THR N N 33 110.800 110.800 112.463 -1.663 17821 135 1 . 1 1 33 33 THR HA H 33 4.040 4.040 4.112 -0.072 17821 136 1 . 1 1 33 33 THR C C 33 176.000 176.000 176.397 -0.397 17821 137 1 . 1 1 33 33 THR CA C 33 61.700 61.700 65.661 -3.961 17821 138 1 . 1 1 33 33 THR CB C 33 64.100 64.100 68.719 -4.619 17821 139 1 . 1 1 33 33 THR H H 33 7.620 7.620 7.941 -0.321 17821 140 1 . 1 1 34 34 LYS N N 34 127.100 127.100 122.475 4.625 17821 141 1 . 1 1 34 34 LYS HA H 34 2.920 2.920 3.900 -0.980 17821 142 1 . 1 1 34 34 LYS C C 34 174.300 174.300 178.547 -4.247 17821 143 1 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.498 -2.198 17821 144 1 . 1 1 34 34 LYS CB C 34 30.000 30.000 32.136 -2.136 17821 145 1 . 1 1 34 34 LYS H H 34 7.740 7.740 7.801 -0.061 17821 146 1 . 1 1 35 35 LYS N N 35 118.500 118.500 119.216 -0.716 17821 147 1 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.086 -0.196 17821 148 1 . 1 1 35 35 LYS C C 35 176.500 176.500 178.958 -2.458 17821 149 1 . 1 1 35 35 LYS CA C 35 56.700 56.700 58.980 -2.280 17821 150 1 . 1 1 35 35 LYS CB C 35 29.500 29.500 31.946 -2.446 17821 151 1 . 1 1 35 35 LYS H H 35 7.880 7.880 8.226 -0.346 17821 152 1 . 1 1 36 36 ALA N N 36 120.100 120.100 122.034 -1.934 17821 153 1 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.115 -0.075 17821 154 1 . 1 1 36 36 ALA C C 36 177.600 177.600 179.530 -1.930 17821 155 1 . 1 1 36 36 ALA CA C 36 52.000 52.000 55.019 -3.019 17821 156 1 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.382 -2.982 17821 157 1 . 1 1 36 36 ALA H H 36 7.490 7.490 8.168 -0.678 17821 158 1 . 1 1 37 37 ARG N N 37 118.500 118.500 119.239 -0.739 17821 159 1 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.956 -0.336 17821 160 1 . 1 1 37 37 ARG C C 37 174.100 174.100 177.995 -3.895 17821 161 1 . 1 1 37 37 ARG CA C 37 56.600 56.600 59.626 -3.026 17821 162 1 . 1 1 37 37 ARG CB C 37 27.100 27.100 29.985 -2.885 17821 163 1 . 1 1 37 37 ARG H H 37 7.630 7.630 8.312 -0.682 17821 164 1 . 1 1 38 38 ASP N N 38 120.200 120.200 119.392 0.808 17821 165 1 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.352 -0.082 17821 166 1 . 1 1 38 38 ASP C C 38 175.500 175.500 178.502 -3.002 17821 167 1 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.336 -2.636 17821 168 1 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.358 -4.158 17821 169 1 . 1 1 38 38 ASP H H 38 8.680 8.680 8.236 0.444 17821 170 1 . 1 1 39 39 ALA N N 39 121.100 121.100 122.042 -0.942 17821 171 1 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.079 -0.069 17821 172 1 . 1 1 39 39 ALA C C 39 176.800 176.800 179.498 -2.698 17821 173 1 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.303 -3.203 17821 174 1 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.264 -3.064 17821 175 1 . 1 1 39 39 ALA H H 39 8.040 8.040 8.178 -0.138 17821 176 1 . 1 1 40 40 CYS N N 40 117.600 117.600 118.107 -0.507 17821 177 1 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.195 -0.015 17821 178 1 . 1 1 40 40 CYS C C 40 173.800 173.800 176.884 -3.084 17821 179 1 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.758 -4.858 17821 180 1 . 1 1 40 40 CYS CB C 40 36.400 36.400 25.995 10.405 17821 181 1 . 1 1 40 40 CYS H H 40 7.340 7.340 8.080 -0.740 17821 182 1 . 1 1 41 41 ILE N N 41 121.500 121.500 121.050 0.450 17821 183 1 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.829 -0.779 17821 184 1 . 1 1 41 41 ILE C C 41 176.100 176.100 178.386 -2.286 17821 185 1 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.649 -1.249 17821 186 1 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.772 -2.472 17821 187 1 . 1 1 41 41 ILE H H 41 8.230 8.230 8.449 -0.219 17821 188 1 . 1 1 42 42 ILE N N 42 119.200 119.200 119.943 -0.743 17821 189 1 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.705 -0.015 17821 190 1 . 1 1 42 42 ILE C C 42 174.200 174.200 177.797 -3.597 17821 191 1 . 1 1 42 42 ILE CA C 42 61.300 61.300 64.580 -3.280 17821 192 1 . 1 1 42 42 ILE CB C 42 35.800 35.800 37.569 -1.769 17821 193 1 . 1 1 42 42 ILE H H 42 7.770 7.770 8.132 -0.362 17821 194 1 . 1 1 43 43 GLU N N 43 118.700 118.700 118.972 -0.272 17821 195 1 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.199 -0.149 17821 196 1 . 1 1 43 43 GLU C C 43 175.300 175.300 177.848 -2.548 17821 197 1 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.686 -2.385 17821 198 1 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.359 -2.159 17821 199 1 . 1 1 43 43 GLU H H 43 7.600 7.600 8.130 -0.530 17821 200 1 . 1 1 44 44 LYS N N 44 114.600 114.600 115.311 -0.711 17821 201 1 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.545 -0.095 17821 202 1 . 1 1 44 44 LYS C C 44 174.500 174.500 176.179 -1.679 17821 203 1 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.302 -2.502 17821 204 1 . 1 1 44 44 LYS CB C 44 32.700 32.700 35.250 -2.550 17821 205 1 . 1 1 44 44 LYS H H 44 8.860 8.860 8.391 0.469 17821 206 1 . 1 1 45 45 GLY N N 45 108.700 108.700 108.573 0.127 17821 207 1 . 1 1 45 45 GLY C C 45 171.000 171.000 174.897 -3.897 17821 208 1 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.567 -3.267 17821 209 1 . 1 1 45 45 GLY H H 45 7.690 7.690 7.757 -0.067 17821 210 1 . 1 1 46 46 GLU N N 46 120.800 120.800 121.930 -1.130 17821 211 1 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.914 -0.474 17821 212 1 . 1 1 46 46 GLU C C 46 175.800 175.800 177.945 -2.145 17821 213 1 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.454 -1.154 17821 214 1 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.591 -2.491 17821 215 1 . 1 1 46 46 GLU H H 46 8.900 8.900 8.896 0.004 17821 216 1 . 1 1 47 47 GLU N N 47 118.700 118.700 117.306 1.394 17821 217 1 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.129 -0.189 17821 218 1 . 1 1 47 47 GLU C C 47 174.300 174.300 177.175 -2.875 17821 219 1 . 1 1 47 47 GLU CA C 47 55.900 55.900 57.398 -1.498 17821 220 1 . 1 1 47 47 GLU CB C 47 25.500 25.500 28.907 -3.407 17821 221 1 . 1 1 47 47 GLU H H 47 9.530 9.530 8.625 0.905 17821 222 1 . 1 1 48 48 HIS N N 48 117.500 117.500 115.706 1.794 17821 223 1 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.777 0.093 17821 224 1 . 1 1 48 48 HIS C C 48 173.300 173.300 174.775 -1.475 17821 225 1 . 1 1 48 48 HIS CA C 48 53.100 53.100 56.002 -2.902 17821 226 1 . 1 1 48 48 HIS CB C 48 28.900 28.900 30.659 -1.759 17821 227 1 . 1 1 48 48 HIS H H 48 7.500 7.500 7.832 -0.332 17821 228 1 . 1 1 49 49 CYS N N 49 116.100 116.100 119.162 -3.062 17821 229 1 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.889 0.161 17821 230 1 . 1 1 49 49 CYS C C 49 173.700 173.700 175.788 -2.088 17821 231 1 . 1 1 49 49 CYS CA C 49 51.700 51.700 57.873 -6.173 17821 232 1 . 1 1 49 49 CYS CB C 49 39.500 39.500 26.899 12.601 17821 233 1 . 1 1 49 49 CYS H H 49 7.460 7.460 7.780 -0.320 17821 234 1 . 1 1 50 50 GLY N N 50 112.900 112.900 110.149 2.751 17821 235 1 . 1 1 50 50 GLY C C 50 172.500 172.500 175.710 -3.210 17821 236 1 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.468 -2.168 17821 237 1 . 1 1 50 50 GLY H H 50 9.150 9.150 8.673 0.477 17821 238 1 . 1 1 51 51 HIS C C 51 175.400 175.400 177.105 -1.705 17821 239 1 . 1 1 51 51 HIS CA C 51 56.400 56.400 58.332 -1.932 17821 240 1 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.695 -3.695 17821 241 1 . 1 1 52 52 LEU N N 52 122.000 122.000 121.303 0.697 17821 242 1 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.143 -0.033 17821 243 1 . 1 1 52 52 LEU C C 52 177.700 177.700 178.735 -1.035 17821 244 1 . 1 1 52 52 LEU CA C 52 53.800 53.800 57.124 -3.324 17821 245 1 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.216 -1.716 17821 246 1 . 1 1 52 52 LEU H H 52 6.810 6.810 7.816 -1.006 17821 247 1 . 1 1 53 53 ILE N N 53 124.200 124.200 120.464 3.736 17821 248 1 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.565 -0.135 17821 249 1 . 1 1 53 53 ILE C C 53 176.100 176.100 178.291 -2.191 17821 250 1 . 1 1 53 53 ILE CA C 53 63.200 63.200 65.902 -2.702 17821 251 1 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.831 -1.932 17821 252 1 . 1 1 53 53 ILE H H 53 8.170 8.170 8.378 -0.208 17821 253 1 . 1 1 54 54 GLU N N 54 120.600 120.600 120.192 0.408 17821 254 1 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.915 0.115 17821 255 1 . 1 1 54 54 GLU C C 54 175.400 175.400 178.631 -3.231 17821 256 1 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.898 -3.798 17821 257 1 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.629 -3.629 17821 258 1 . 1 1 54 54 GLU H H 54 8.380 8.380 8.236 0.144 17821 259 1 . 1 1 55 55 ALA N N 55 120.800 120.800 121.843 -1.042 17821 260 1 . 1 1 55 55 ALA HA H 55 4.120 4.120 4.027 0.093 17821 261 1 . 1 1 55 55 ALA C C 55 177.900 177.900 179.348 -1.448 17821 262 1 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.167 -2.967 17821 263 1 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.167 -3.067 17821 264 1 . 1 1 55 55 ALA H H 55 7.880 7.880 8.005 -0.125 17821 265 1 . 1 1 56 56 HIS N N 56 117.400 117.400 118.778 -1.378 17821 266 1 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.282 0.018 17821 267 1 . 1 1 56 56 HIS C C 56 173.500 173.500 177.429 -3.929 17821 268 1 . 1 1 56 56 HIS CA C 56 57.000 57.000 59.510 -2.510 17821 269 1 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.187 -1.887 17821 270 1 . 1 1 56 56 HIS H H 56 7.640 7.640 8.464 -0.824 17821 271 1 . 1 1 57 57 LYS N N 57 119.200 119.200 119.312 -0.112 17821 272 1 . 1 1 57 57 LYS HA H 57 3.600 3.600 3.911 -0.311 17821 273 1 . 1 1 57 57 LYS C C 57 176.200 176.200 178.908 -2.708 17821 274 1 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.598 -1.998 17821 275 1 . 1 1 57 57 LYS CB C 57 29.500 29.500 32.056 -2.556 17821 276 1 . 1 1 57 57 LYS H H 57 7.620 7.620 8.317 -0.697 17821 277 1 . 1 1 58 58 GLU N N 58 118.400 118.400 120.292 -1.892 17821 278 1 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.038 -0.068 17821 279 1 . 1 1 58 58 GLU C C 58 176.200 176.200 178.980 -2.780 17821 280 1 . 1 1 58 58 GLU CA C 58 56.200 56.200 59.032 -2.832 17821 281 1 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.340 -3.040 17821 282 1 . 1 1 58 58 GLU H H 58 8.490 8.490 8.373 0.117 17821 283 1 . 1 1 59 59 SER N N 59 116.100 116.100 115.670 0.430 17821 284 1 . 1 1 59 59 SER HA H 59 4.150 4.150 4.180 -0.030 17821 285 1 . 1 1 59 59 SER CA C 59 58.400 58.400 61.532 -3.132 17821 286 1 . 1 1 59 59 SER CB C 59 60.300 60.300 63.174 -2.873 17821 287 1 . 1 1 59 59 SER H H 59 7.790 7.790 8.184 -0.394 17821 288 1 . 1 1 60 60 MET N N 60 117.500 117.500 118.854 -1.354 17821 289 1 . 1 1 60 60 MET HA H 60 4.170 4.170 4.161 0.009 17821 290 1 . 1 1 60 60 MET C C 60 176.400 176.400 177.794 -1.394 17821 291 1 . 1 1 60 60 MET CA C 60 54.400 54.400 56.111 -1.711 17821 292 1 . 1 1 60 60 MET CB C 60 29.100 29.100 32.053 -2.953 17821 293 1 . 1 1 60 60 MET H H 60 7.880 7.880 8.034 -0.154 17821 294 1 . 1 1 61 61 ARG N N 61 121.300 121.300 121.093 0.207 17821 295 1 . 1 1 61 61 ARG HA H 61 4.170 4.170 3.975 0.195 17821 296 1 . 1 1 61 61 ARG C C 61 177.500 177.500 178.370 -0.870 17821 297 1 . 1 1 61 61 ARG CA C 61 56.100 56.100 59.086 -2.986 17821 298 1 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.108 -2.608 17821 299 1 . 1 1 61 61 ARG H H 61 8.290 8.290 8.248 0.042 17821 300 1 . 1 1 62 62 ALA N N 62 123.200 123.200 122.110 1.090 17821 301 1 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.112 -0.042 17821 302 1 . 1 1 62 62 ALA C C 62 176.400 176.400 178.648 -2.248 17821 303 1 . 1 1 62 62 ALA CA C 62 51.500 51.500 54.157 -2.657 17821 304 1 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.397 -3.297 17821 305 1 . 1 1 62 62 ALA H H 62 7.950 7.950 7.832 0.118 17821 306 1 . 1 1 63 63 LEU N N 63 117.500 117.500 116.627 0.873 17821 307 1 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.215 -0.015 17821 308 1 . 1 1 63 63 LEU C C 63 174.400 174.400 177.543 -3.143 17821 309 1 . 1 1 63 63 LEU CA C 63 52.900 52.900 54.392 -1.492 17821 310 1 . 1 1 63 63 LEU CB C 63 39.800 39.800 41.081 -1.281 17821 311 1 . 1 1 63 63 LEU H H 63 7.450 7.450 7.348 0.102 17821 312 1 . 1 1 64 64 GLY N N 64 106.300 106.300 107.647 -1.347 17821 313 1 . 1 1 64 64 GLY C C 64 171.400 171.400 175.126 -3.726 17821 314 1 . 1 1 64 64 GLY CA C 64 42.100 42.100 45.947 -3.848 17821 315 1 . 1 1 64 64 GLY H H 64 7.780 7.780 7.669 0.111 17821 316 1 . 1 1 65 65 PHE N N 65 119.800 119.800 116.225 3.575 17821 317 1 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.893 -0.423 17821 318 1 . 1 1 65 65 PHE C C 65 172.300 172.300 175.242 -2.942 17821 319 1 . 1 1 65 65 PHE CA C 65 54.900 54.900 55.888 -0.988 17821 320 1 . 1 1 65 65 PHE CB C 65 36.900 36.900 38.687 -1.787 17821 321 1 . 1 1 65 65 PHE H H 65 7.840 7.840 7.455 0.385 17821 322 1 . 1 1 66 66 LYS N N 66 124.000 124.000 121.288 2.712 17821 323 1 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.473 -0.213 17821 324 1 . 1 1 66 66 LYS C C 66 172.200 172.200 175.663 -3.463 17821 325 1 . 1 1 66 66 LYS CA C 66 53.200 53.200 56.806 -3.606 17821 326 1 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.637 -4.337 17821 327 1 . 1 1 66 66 LYS H H 66 8.370 8.370 8.116 0.254 17821 stop_ save_