data_18179 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18179 _Entry.PDB_ID 2LNT 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 18179 _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 17 17 LEU N N 52 120.529 120.529 123.176 -2.647 18179 2 1 1 . 1 1 17 17 LEU HA H 52 4.317 4.317 4.555 -0.238 18179 3 1 1 . 1 1 17 17 LEU CA C 52 53.456 53.456 54.666 -1.210 18179 4 1 1 . 1 1 17 17 LEU CB C 52 42.494 42.494 41.858 0.636 18179 5 1 1 . 1 1 17 17 LEU H H 52 7.103 7.103 8.161 -1.058 18179 6 1 1 . 1 1 18 18 ILE CB C 53 36.458 36.458 38.253 -1.795 18179 7 1 1 . 1 1 23 23 TYR HA H 58 4.359 4.359 4.091 0.268 18179 8 1 1 . 1 1 23 23 TYR C C 58 176.387 176.387 177.058 -0.671 18179 9 1 1 . 1 1 23 23 TYR CA C 58 59.597 59.597 60.217 -0.620 18179 10 1 1 . 1 1 23 23 TYR CB C 58 38.572 38.572 37.528 1.044 18179 11 1 1 . 1 1 24 24 GLU N N 59 117.335 117.335 121.402 -4.067 18179 12 1 1 . 1 1 24 24 GLU CA C 59 60.871 60.871 59.493 1.378 18179 13 1 1 . 1 1 24 24 GLU CB C 59 28.494 28.494 28.468 0.026 18179 14 1 1 . 1 1 24 24 GLU H H 59 9.191 9.191 8.174 1.017 18179 15 1 1 . 1 1 25 25 ALA N N 60 120.861 120.861 120.669 0.192 18179 16 1 1 . 1 1 25 25 ALA CA C 60 54.555 54.555 54.655 -0.100 18179 17 1 1 . 1 1 25 25 ALA CB C 60 18.528 18.528 18.173 0.355 18179 18 1 1 . 1 1 25 25 ALA H H 60 7.688 7.688 7.406 0.282 18179 19 1 1 . 1 1 26 26 ALA N N 61 123.402 123.402 122.205 1.197 18179 20 1 1 . 1 1 26 26 ALA HA H 61 3.900 3.900 3.996 -0.096 18179 21 1 1 . 1 1 26 26 ALA CA C 61 55.346 55.346 54.925 0.421 18179 22 1 1 . 1 1 26 26 ALA CB C 61 19.104 19.104 18.288 0.816 18179 23 1 1 . 1 1 26 26 ALA H H 61 8.225 8.225 7.532 0.693 18179 24 1 1 . 1 1 27 27 LEU N N 62 118.742 118.742 120.098 -1.356 18179 25 1 1 . 1 1 27 27 LEU HA H 62 3.700 3.700 4.032 -0.332 18179 26 1 1 . 1 1 27 27 LEU C C 62 171.911 171.911 178.498 -6.587 18179 27 1 1 . 1 1 27 27 LEU CA C 62 57.654 57.654 58.301 -0.647 18179 28 1 1 . 1 1 27 27 LEU CB C 62 41.905 41.905 41.033 0.872 18179 29 1 1 . 1 1 27 27 LEU H H 62 8.336 8.336 8.615 -0.279 18179 30 1 1 . 1 1 28 28 TYR N N 63 117.594 117.594 119.298 -1.704 18179 31 1 1 . 1 1 28 28 TYR HA H 63 4.007 4.007 4.063 -0.056 18179 32 1 1 . 1 1 28 28 TYR C C 63 179.075 179.075 177.704 1.371 18179 33 1 1 . 1 1 28 28 TYR CA C 63 61.769 61.769 61.739 0.030 18179 34 1 1 . 1 1 28 28 TYR CB C 63 38.071 38.071 38.333 -0.262 18179 35 1 1 . 1 1 28 28 TYR H H 63 7.279 7.279 7.639 -0.360 18179 36 1 1 . 1 1 29 29 LYS N N 64 121.077 121.077 119.887 1.190 18179 37 1 1 . 1 1 29 29 LYS HA H 64 3.663 3.663 3.884 -0.221 18179 38 1 1 . 1 1 29 29 LYS C C 64 176.394 176.394 179.368 -2.974 18179 39 1 1 . 1 1 29 29 LYS CA C 64 59.230 59.230 59.128 0.102 18179 40 1 1 . 1 1 29 29 LYS CB C 64 32.573 32.573 31.816 0.757 18179 41 1 1 . 1 1 29 29 LYS H H 64 8.472 8.472 8.231 0.241 18179 42 1 1 . 1 1 30 30 SER N N 65 117.933 117.933 115.845 2.088 18179 43 1 1 . 1 1 30 30 SER HA H 65 4.160 4.160 4.312 -0.152 18179 44 1 1 . 1 1 30 30 SER C C 65 176.518 176.518 175.658 0.860 18179 45 1 1 . 1 1 30 30 SER CA C 65 61.706 61.706 61.164 0.542 18179 46 1 1 . 1 1 30 30 SER CB C 65 64.022 64.022 63.243 0.779 18179 47 1 1 . 1 1 30 30 SER H H 65 8.500 8.500 8.208 0.292 18179 48 1 1 . 1 1 31 31 LYS N N 66 117.248 117.248 121.211 -3.963 18179 49 1 1 . 1 1 31 31 LYS HA H 66 4.301 4.301 4.078 0.223 18179 50 1 1 . 1 1 31 31 LYS C C 66 179.721 179.721 177.634 2.087 18179 51 1 1 . 1 1 31 31 LYS CA C 66 59.165 59.165 58.938 0.227 18179 52 1 1 . 1 1 31 31 LYS CB C 66 32.372 32.372 32.152 0.220 18179 53 1 1 . 1 1 31 31 LYS H H 66 8.020 8.020 7.635 0.385 18179 54 1 1 . 1 1 32 32 THR N N 67 109.772 109.772 113.447 -3.675 18179 55 1 1 . 1 1 32 32 THR HA H 67 3.883 3.883 4.167 -0.284 18179 56 1 1 . 1 1 32 32 THR C C 67 176.237 176.237 175.087 1.150 18179 57 1 1 . 1 1 32 32 THR CA C 67 64.813 64.813 64.517 0.296 18179 58 1 1 . 1 1 32 32 THR CB C 67 69.445 69.445 69.045 0.400 18179 59 1 1 . 1 1 32 32 THR H H 67 7.844 7.844 7.497 0.347 18179 60 1 1 . 1 1 33 33 SER N N 68 115.610 115.610 115.410 0.200 18179 61 1 1 . 1 1 33 33 SER HA H 68 4.369 4.369 4.497 -0.128 18179 62 1 1 . 1 1 33 33 SER C C 68 174.628 174.628 175.016 -0.388 18179 63 1 1 . 1 1 33 33 SER CA C 68 59.242 59.242 58.055 1.187 18179 64 1 1 . 1 1 33 33 SER CB C 68 65.166 65.166 64.528 0.638 18179 65 1 1 . 1 1 33 33 SER H H 68 8.047 8.047 7.323 0.724 18179 66 1 1 . 1 1 34 34 ASN N N 69 110.215 110.215 118.847 -8.632 18179 67 1 1 . 1 1 34 34 ASN HA H 69 4.181 4.181 4.437 -0.256 18179 68 1 1 . 1 1 34 34 ASN C C 69 173.253 173.253 173.827 -0.574 18179 69 1 1 . 1 1 34 34 ASN CA C 69 54.302 54.302 54.511 -0.209 18179 70 1 1 . 1 1 34 34 ASN CB C 69 38.506 38.506 37.269 1.237 18179 71 1 1 . 1 1 34 34 ASN H H 69 8.061 8.061 8.424 -0.363 18179 72 1 1 . 1 1 35 35 LYS N N 70 117.312 117.312 119.752 -2.440 18179 73 1 1 . 1 1 35 35 LYS HA H 70 4.676 4.676 4.804 -0.128 18179 74 1 1 . 1 1 35 35 LYS CA C 70 53.385 53.385 53.004 0.381 18179 75 1 1 . 1 1 35 35 LYS CB C 70 34.049 34.049 34.189 -0.140 18179 76 1 1 . 1 1 35 35 LYS H H 70 7.589 7.589 7.686 -0.097 18179 77 1 1 . 1 1 36 36 PRO HA H 71 4.371 4.371 4.362 0.009 18179 78 1 1 . 1 1 36 36 PRO C C 71 172.189 172.189 176.004 -3.815 18179 79 1 1 . 1 1 36 36 PRO CA C 71 62.356 62.356 63.602 -1.246 18179 80 1 1 . 1 1 36 36 PRO CB C 71 31.785 31.785 32.071 -0.286 18179 81 1 1 . 1 1 37 37 LEU N N 72 122.894 122.894 125.878 -2.984 18179 82 1 1 . 1 1 37 37 LEU HA H 72 5.392 5.392 4.670 0.722 18179 83 1 1 . 1 1 37 37 LEU C C 72 174.422 174.422 176.213 -1.791 18179 84 1 1 . 1 1 37 37 LEU CA C 72 52.656 52.656 54.085 -1.429 18179 85 1 1 . 1 1 37 37 LEU CB C 72 45.220 45.220 42.509 2.711 18179 86 1 1 . 1 1 37 37 LEU H H 72 8.936 8.936 8.204 0.732 18179 87 1 1 . 1 1 38 38 MET N N 73 128.922 128.922 123.309 5.613 18179 88 1 1 . 1 1 38 38 MET C C 73 172.488 172.488 175.288 -2.800 18179 89 1 1 . 1 1 38 38 MET CA C 73 54.806 54.806 55.282 -0.476 18179 90 1 1 . 1 1 38 38 MET CB C 73 35.127 35.127 32.026 3.100 18179 91 1 1 . 1 1 38 38 MET H H 73 8.965 8.965 8.764 0.201 18179 92 1 1 . 1 1 39 39 ILE N N 74 124.016 124.016 126.622 -2.606 18179 93 1 1 . 1 1 39 39 ILE HA H 74 4.819 4.819 4.163 0.656 18179 94 1 1 . 1 1 39 39 ILE C C 74 175.018 175.018 174.498 0.520 18179 95 1 1 . 1 1 39 39 ILE CA C 74 59.688 59.688 61.044 -1.355 18179 96 1 1 . 1 1 39 39 ILE CB C 74 40.407 40.407 38.703 1.704 18179 97 1 1 . 1 1 39 39 ILE H H 74 8.727 8.727 9.091 -0.364 18179 98 1 1 . 1 1 40 40 ILE N N 75 126.837 126.837 128.397 -1.560 18179 99 1 1 . 1 1 40 40 ILE HA H 75 4.038 4.038 5.247 -1.209 18179 100 1 1 . 1 1 40 40 ILE C C 75 175.282 175.282 174.251 1.031 18179 101 1 1 . 1 1 40 40 ILE CA C 75 60.408 60.408 59.648 0.760 18179 102 1 1 . 1 1 40 40 ILE CB C 75 40.028 40.028 40.275 -0.247 18179 103 1 1 . 1 1 40 40 ILE H H 75 8.587 8.587 8.540 0.047 18179 104 1 1 . 1 1 41 41 HIS N N 76 128.633 128.633 126.915 1.718 18179 105 1 1 . 1 1 41 41 HIS CA C 76 56.453 56.453 53.057 3.396 18179 106 1 1 . 1 1 41 41 HIS CB C 76 29.368 29.368 33.509 -4.141 18179 107 1 1 . 1 1 41 41 HIS H H 76 9.145 9.145 8.053 1.092 18179 108 1 1 . 1 1 42 42 HIS HA H 77 4.822 4.822 5.226 -0.404 18179 109 1 1 . 1 1 42 42 HIS C C 77 170.942 170.942 174.069 -3.127 18179 110 1 1 . 1 1 42 42 HIS CA C 77 54.441 54.441 54.319 0.122 18179 111 1 1 . 1 1 42 42 HIS CB C 77 34.768 34.768 32.781 1.987 18179 112 1 1 . 1 1 43 43 LEU N N 78 114.526 114.526 118.057 -3.531 18179 113 1 1 . 1 1 43 43 LEU HA H 78 4.540 4.540 4.694 -0.154 18179 114 1 1 . 1 1 43 43 LEU C C 78 177.855 177.855 175.914 1.941 18179 115 1 1 . 1 1 43 43 LEU CA C 78 54.020 54.020 53.213 0.807 18179 116 1 1 . 1 1 43 43 LEU CB C 78 46.643 46.643 46.439 0.204 18179 117 1 1 . 1 1 43 43 LEU H H 78 7.077 7.077 8.059 -0.982 18179 118 1 1 . 1 1 44 44 ASP N N 79 123.675 123.675 121.580 2.095 18179 119 1 1 . 1 1 44 44 ASP HA H 79 4.452 4.452 4.648 -0.196 18179 120 1 1 . 1 1 44 44 ASP C C 79 177.872 177.872 177.317 0.555 18179 121 1 1 . 1 1 44 44 ASP CA C 79 57.458 57.458 55.917 1.541 18179 122 1 1 . 1 1 44 44 ASP CB C 79 40.739 40.739 41.165 -0.426 18179 123 1 1 . 1 1 44 44 ASP H H 79 8.783 8.783 9.003 -0.220 18179 124 1 1 . 1 1 45 45 GLU N N 80 115.578 115.578 119.704 -4.126 18179 125 1 1 . 1 1 45 45 GLU HA H 80 4.156 4.156 4.416 -0.260 18179 126 1 1 . 1 1 45 45 GLU C C 80 175.108 175.108 175.561 -0.453 18179 127 1 1 . 1 1 45 45 GLU CA C 80 56.661 56.661 55.791 0.870 18179 128 1 1 . 1 1 45 45 GLU CB C 80 28.604 28.604 28.376 0.228 18179 129 1 1 . 1 1 45 45 GLU H H 80 9.146 9.146 8.695 0.451 18179 130 1 1 . 1 1 46 46 CYS N N 81 125.642 125.642 115.233 10.409 18179 131 1 1 . 1 1 46 46 CYS HA H 81 4.814 4.814 4.736 0.078 18179 132 1 1 . 1 1 46 46 CYS C C 81 175.453 175.453 172.244 3.209 18179 133 1 1 . 1 1 46 46 CYS CA C 81 56.298 56.298 54.809 1.489 18179 134 1 1 . 1 1 46 46 CYS CB C 81 30.378 30.378 27.804 2.574 18179 135 1 1 . 1 1 46 46 CYS H H 81 7.146 7.146 7.553 -0.407 18179 136 1 1 . 1 1 47 47 PRO HA H 82 4.311 4.311 4.217 0.094 18179 137 1 1 . 1 1 47 47 PRO CA C 82 64.536 64.536 63.422 1.114 18179 138 1 1 . 1 1 47 47 PRO CB C 82 32.069 32.069 31.531 0.538 18179 139 1 1 . 1 1 48 48 HIS N N 83 124.416 124.416 122.662 1.754 18179 140 1 1 . 1 1 48 48 HIS HA H 83 4.511 4.511 4.244 0.267 18179 141 1 1 . 1 1 48 48 HIS C C 83 178.820 178.820 177.375 1.445 18179 142 1 1 . 1 1 48 48 HIS CA C 83 59.042 59.042 56.615 2.426 18179 143 1 1 . 1 1 48 48 HIS CB C 83 28.921 28.921 30.624 -1.703 18179 144 1 1 . 1 1 48 48 HIS H H 83 8.936 8.936 8.519 0.417 18179 145 1 1 . 1 1 49 49 SER N N 84 129.973 129.973 119.168 10.805 18179 146 1 1 . 1 1 49 49 SER HA H 84 4.152 4.152 3.681 0.471 18179 147 1 1 . 1 1 49 49 SER C C 84 175.397 175.397 175.766 -0.369 18179 148 1 1 . 1 1 49 49 SER CA C 84 63.873 63.873 62.171 1.702 18179 149 1 1 . 1 1 49 49 SER CB C 84 65.516 65.516 62.910 2.606 18179 150 1 1 . 1 1 49 49 SER H H 84 11.408 11.408 8.867 2.541 18179 151 1 1 . 1 1 50 50 GLN N N 85 118.214 118.214 119.801 -1.587 18179 152 1 1 . 1 1 50 50 GLN HA H 85 3.701 3.701 4.051 -0.350 18179 153 1 1 . 1 1 50 50 GLN C C 85 178.213 178.213 177.891 0.322 18179 154 1 1 . 1 1 50 50 GLN CA C 85 58.201 58.201 58.315 -0.114 18179 155 1 1 . 1 1 50 50 GLN CB C 85 27.294 27.294 28.113 -0.819 18179 156 1 1 . 1 1 50 50 GLN H H 85 8.192 8.192 8.180 0.012 18179 157 1 1 . 1 1 51 51 ALA N N 86 121.790 121.790 122.831 -1.041 18179 158 1 1 . 1 1 51 51 ALA HA H 86 4.099 4.099 4.087 0.012 18179 159 1 1 . 1 1 51 51 ALA C C 86 180.512 180.512 179.270 1.242 18179 160 1 1 . 1 1 51 51 ALA CA C 86 54.742 54.742 54.659 0.083 18179 161 1 1 . 1 1 51 51 ALA CB C 86 18.559 18.559 18.290 0.269 18179 162 1 1 . 1 1 51 51 ALA H H 86 7.748 7.748 8.432 -0.684 18179 163 1 1 . 1 1 52 52 LEU N N 87 118.528 118.528 119.151 -0.623 18179 164 1 1 . 1 1 52 52 LEU HA H 87 4.076 4.076 4.048 0.028 18179 165 1 1 . 1 1 52 52 LEU CA C 87 57.266 57.266 56.025 1.241 18179 166 1 1 . 1 1 52 52 LEU CB C 87 41.947 41.947 41.570 0.377 18179 167 1 1 . 1 1 52 52 LEU H H 87 7.918 7.918 7.464 0.454 18179 168 1 1 . 1 1 53 53 LYS N N 88 120.398 120.398 119.795 0.603 18179 169 1 1 . 1 1 53 53 LYS H H 88 7.932 7.932 8.263 -0.331 18179 170 1 1 . 1 1 54 54 LYS N N 89 115.219 115.219 119.688 -4.469 18179 171 1 1 . 1 1 54 54 LYS HA H 89 3.790 3.790 4.004 -0.214 18179 172 1 1 . 1 1 54 54 LYS C C 89 178.614 178.614 178.772 -0.158 18179 173 1 1 . 1 1 54 54 LYS CA C 89 59.308 59.308 59.820 -0.512 18179 174 1 1 . 1 1 54 54 LYS CB C 89 32.530 32.530 32.084 0.446 18179 175 1 1 . 1 1 54 54 LYS H H 89 6.889 6.889 7.475 -0.586 18179 176 1 1 . 1 1 55 55 VAL N N 90 110.991 110.991 118.623 -7.632 18179 177 1 1 . 1 1 55 55 VAL HA H 90 4.049 4.049 3.641 0.408 18179 178 1 1 . 1 1 55 55 VAL C C 90 178.054 178.054 178.667 -0.613 18179 179 1 1 . 1 1 55 55 VAL CA C 90 64.467 64.467 65.769 -1.302 18179 180 1 1 . 1 1 55 55 VAL CB C 90 31.625 31.625 31.563 0.062 18179 181 1 1 . 1 1 55 55 VAL H H 90 6.748 6.748 7.188 -0.440 18179 182 1 1 . 1 1 56 56 PHE N N 91 124.010 124.010 119.103 4.907 18179 183 1 1 . 1 1 56 56 PHE HA H 91 3.829 3.829 4.288 -0.459 18179 184 1 1 . 1 1 56 56 PHE C C 91 177.496 177.496 177.425 0.071 18179 185 1 1 . 1 1 56 56 PHE CA C 91 61.854 61.854 59.087 2.767 18179 186 1 1 . 1 1 56 56 PHE CB C 91 41.828 41.828 37.718 4.110 18179 187 1 1 . 1 1 56 56 PHE H H 91 8.722 8.722 7.328 1.394 18179 188 1 1 . 1 1 57 57 ALA N N 92 118.444 118.444 118.778 -0.334 18179 189 1 1 . 1 1 57 57 ALA HA H 92 4.185 4.185 4.175 0.010 18179 190 1 1 . 1 1 57 57 ALA C C 92 180.660 180.660 178.872 1.788 18179 191 1 1 . 1 1 57 57 ALA CA C 92 54.288 54.288 54.041 0.246 18179 192 1 1 . 1 1 57 57 ALA CB C 92 18.487 18.487 18.748 -0.261 18179 193 1 1 . 1 1 57 57 ALA H H 92 8.695 8.695 8.347 0.348 18179 194 1 1 . 1 1 58 58 GLU N N 93 112.263 112.263 117.469 -5.206 18179 195 1 1 . 1 1 58 58 GLU HA H 93 4.156 4.156 4.210 -0.054 18179 196 1 1 . 1 1 58 58 GLU C C 93 175.641 175.641 176.713 -1.072 18179 197 1 1 . 1 1 58 58 GLU CA C 93 55.883 55.883 57.707 -1.824 18179 198 1 1 . 1 1 58 58 GLU CB C 93 30.495 30.495 30.364 0.131 18179 199 1 1 . 1 1 58 58 GLU H H 93 7.108 7.108 8.038 -0.930 18179 200 1 1 . 1 1 59 59 ASN N N 94 120.422 120.422 119.115 1.307 18179 201 1 1 . 1 1 59 59 ASN HA H 94 4.590 4.590 4.959 -0.369 18179 202 1 1 . 1 1 59 59 ASN C C 94 174.151 174.151 175.565 -1.414 18179 203 1 1 . 1 1 59 59 ASN CA C 94 54.056 54.056 52.714 1.342 18179 204 1 1 . 1 1 59 59 ASN CB C 94 38.723 38.723 39.378 -0.655 18179 205 1 1 . 1 1 59 59 ASN H H 94 7.269 7.269 7.711 -0.442 18179 206 1 1 . 1 1 60 60 LYS N N 95 127.497 127.497 125.792 1.705 18179 207 1 1 . 1 1 60 60 LYS HA H 95 3.770 3.770 3.966 -0.196 18179 208 1 1 . 1 1 60 60 LYS C C 95 178.959 178.959 178.236 0.723 18179 209 1 1 . 1 1 60 60 LYS CA C 95 59.337 59.337 60.684 -1.347 18179 210 1 1 . 1 1 60 60 LYS CB C 95 32.170 32.170 32.213 -0.043 18179 211 1 1 . 1 1 60 60 LYS H H 95 8.672 8.672 8.942 -0.270 18179 212 1 1 . 1 1 61 61 GLU N N 96 119.409 119.409 119.088 0.321 18179 213 1 1 . 1 1 61 61 GLU HA H 96 3.984 3.984 4.113 -0.129 18179 214 1 1 . 1 1 61 61 GLU C C 96 179.574 179.574 178.966 0.608 18179 215 1 1 . 1 1 61 61 GLU CA C 96 59.955 59.955 59.388 0.567 18179 216 1 1 . 1 1 61 61 GLU CB C 96 29.246 29.246 29.285 -0.039 18179 217 1 1 . 1 1 61 61 GLU H H 96 7.988 7.988 8.773 -0.785 18179 218 1 1 . 1 1 62 62 ILE N N 97 122.621 122.621 120.180 2.441 18179 219 1 1 . 1 1 62 62 ILE HA H 97 3.224 3.224 3.818 -0.594 18179 220 1 1 . 1 1 62 62 ILE C C 97 177.158 177.158 178.011 -0.853 18179 221 1 1 . 1 1 62 62 ILE CA C 97 65.787 65.787 64.866 0.921 18179 222 1 1 . 1 1 62 62 ILE CB C 97 37.710 37.710 37.805 -0.095 18179 223 1 1 . 1 1 62 62 ILE H H 97 8.484 8.484 7.405 1.079 18179 224 1 1 . 1 1 63 63 GLN N N 98 115.619 115.619 120.048 -4.429 18179 225 1 1 . 1 1 63 63 GLN HA H 98 3.481 3.481 3.939 -0.458 18179 226 1 1 . 1 1 63 63 GLN C C 98 178.097 178.097 178.410 -0.313 18179 227 1 1 . 1 1 63 63 GLN CA C 98 58.601 58.601 59.206 -0.605 18179 228 1 1 . 1 1 63 63 GLN CB C 98 28.834 28.834 28.465 0.368 18179 229 1 1 . 1 1 63 63 GLN H H 98 8.046 8.046 8.471 -0.425 18179 230 1 1 . 1 1 64 64 LYS N N 99 116.464 116.464 118.962 -2.498 18179 231 1 1 . 1 1 64 64 LYS HA H 99 4.125 4.125 4.023 0.102 18179 232 1 1 . 1 1 64 64 LYS C C 99 179.740 179.740 179.219 0.521 18179 233 1 1 . 1 1 64 64 LYS CA C 99 57.955 57.955 57.974 -0.019 18179 234 1 1 . 1 1 64 64 LYS CB C 99 32.054 32.054 31.930 0.124 18179 235 1 1 . 1 1 64 64 LYS H H 99 7.578 7.578 8.146 -0.568 18179 236 1 1 . 1 1 65 65 LEU N N 100 122.576 122.576 120.468 2.108 18179 237 1 1 . 1 1 65 65 LEU HA H 100 4.128 4.128 4.049 0.079 18179 238 1 1 . 1 1 65 65 LEU C C 100 178.481 178.481 178.277 0.204 18179 239 1 1 . 1 1 65 65 LEU CA C 100 57.044 57.044 57.590 -0.546 18179 240 1 1 . 1 1 65 65 LEU CB C 100 41.883 41.883 41.622 0.261 18179 241 1 1 . 1 1 65 65 LEU H H 100 7.916 7.916 8.019 -0.103 18179 242 1 1 . 1 1 66 66 ALA N N 101 119.534 119.534 119.426 0.108 18179 243 1 1 . 1 1 66 66 ALA HA H 101 3.810 3.810 2.583 1.227 18179 244 1 1 . 1 1 66 66 ALA C C 101 177.520 177.520 178.124 -0.604 18179 245 1 1 . 1 1 66 66 ALA CA C 101 54.772 54.772 53.913 0.859 18179 246 1 1 . 1 1 66 66 ALA CB C 101 17.737 17.737 18.076 -0.339 18179 247 1 1 . 1 1 66 66 ALA H H 101 8.511 8.511 7.760 0.751 18179 248 1 1 . 1 1 67 67 GLU N N 102 113.081 113.081 115.818 -2.737 18179 249 1 1 . 1 1 67 67 GLU HA H 102 4.113 4.113 3.956 0.157 18179 250 1 1 . 1 1 67 67 GLU C C 102 178.295 178.295 177.512 0.783 18179 251 1 1 . 1 1 67 67 GLU CA C 102 58.285 58.285 58.192 0.093 18179 252 1 1 . 1 1 67 67 GLU CB C 102 29.952 29.952 29.392 0.560 18179 253 1 1 . 1 1 67 67 GLU H H 102 7.039 7.039 7.450 -0.411 18179 254 1 1 . 1 1 68 68 GLN N N 103 116.244 116.244 117.384 -1.140 18179 255 1 1 . 1 1 68 68 GLN HA H 103 4.107 4.107 4.202 -0.095 18179 256 1 1 . 1 1 68 68 GLN C C 103 173.173 173.173 176.431 -3.258 18179 257 1 1 . 1 1 68 68 GLN CA C 103 56.094 56.094 57.104 -1.010 18179 258 1 1 . 1 1 68 68 GLN CB C 103 28.703 28.703 30.066 -1.363 18179 259 1 1 . 1 1 68 68 GLN H H 103 8.167 8.167 7.358 0.809 18179 260 1 1 . 1 1 69 69 PHE N N 104 116.822 116.822 114.266 2.556 18179 261 1 1 . 1 1 69 69 PHE HA H 104 4.645 4.645 4.814 -0.169 18179 262 1 1 . 1 1 69 69 PHE C C 104 177.346 177.346 174.797 2.549 18179 263 1 1 . 1 1 69 69 PHE CA C 104 57.254 57.254 55.480 1.774 18179 264 1 1 . 1 1 69 69 PHE CB C 104 40.897 40.897 40.641 0.256 18179 265 1 1 . 1 1 69 69 PHE H H 104 7.633 7.633 7.108 0.525 18179 266 1 1 . 1 1 70 70 VAL N N 105 120.799 120.799 120.317 0.482 18179 267 1 1 . 1 1 70 70 VAL HA H 105 3.867 3.867 4.191 -0.324 18179 268 1 1 . 1 1 70 70 VAL C C 105 174.191 174.191 175.226 -1.035 18179 269 1 1 . 1 1 70 70 VAL CA C 105 63.450 63.450 62.019 1.431 18179 270 1 1 . 1 1 70 70 VAL CB C 105 31.566 31.566 32.023 -0.457 18179 271 1 1 . 1 1 70 70 VAL H H 105 8.943 8.943 8.730 0.213 18179 272 1 1 . 1 1 71 71 LEU N N 106 129.105 129.105 127.321 1.784 18179 273 1 1 . 1 1 71 71 LEU HA H 106 4.850 4.850 4.763 0.087 18179 274 1 1 . 1 1 71 71 LEU CA C 106 53.854 53.854 54.031 -0.177 18179 275 1 1 . 1 1 71 71 LEU CB C 106 44.478 44.478 44.636 -0.158 18179 276 1 1 . 1 1 71 71 LEU H H 106 8.432 8.432 8.373 0.059 18179 277 1 1 . 1 1 72 72 LEU N N 107 123.682 123.682 129.307 -5.625 18179 278 1 1 . 1 1 72 72 LEU H H 107 8.298 8.298 8.352 -0.054 18179 279 1 1 . 1 1 73 73 ASN N N 108 125.520 125.520 121.887 3.633 18179 280 1 1 . 1 1 73 73 ASN CA C 108 51.631 51.631 53.325 -1.694 18179 281 1 1 . 1 1 73 73 ASN CB C 108 41.484 41.484 38.699 2.785 18179 282 1 1 . 1 1 73 73 ASN H H 108 9.761 9.761 8.131 1.630 18179 283 1 1 . 1 1 74 74 LEU N N 109 122.070 122.070 126.155 -4.085 18179 284 1 1 . 1 1 74 74 LEU H H 109 8.563 8.563 7.953 0.610 18179 285 1 1 . 1 1 75 75 VAL HA H 110 5.100 5.100 4.068 1.032 18179 286 1 1 . 1 1 75 75 VAL CA C 110 59.157 59.157 63.130 -3.973 18179 287 1 1 . 1 1 76 76 TYR N N 111 120.641 120.641 120.328 0.313 18179 288 1 1 . 1 1 76 76 TYR HA H 111 4.569 4.569 4.537 0.032 18179 289 1 1 . 1 1 76 76 TYR C C 111 175.393 175.393 175.732 -0.339 18179 290 1 1 . 1 1 76 76 TYR CA C 111 57.736 57.736 58.123 -0.387 18179 291 1 1 . 1 1 76 76 TYR CB C 111 39.426 39.426 38.619 0.807 18179 292 1 1 . 1 1 76 76 TYR H H 111 8.255 8.255 7.713 0.542 18179 293 1 1 . 1 1 79 79 THR HA H 114 4.180 4.180 4.107 0.073 18179 294 1 1 . 1 1 79 79 THR CA C 114 61.295 61.295 63.149 -1.854 18179 295 1 1 . 1 1 79 79 THR CB C 114 68.683 68.683 69.191 -0.508 18179 296 1 1 . 1 1 80 80 ASP N N 115 121.026 121.026 127.933 -6.907 18179 297 1 1 . 1 1 80 80 ASP C C 115 177.959 177.959 176.710 1.249 18179 298 1 1 . 1 1 80 80 ASP CA C 115 53.276 53.276 55.055 -1.779 18179 299 1 1 . 1 1 80 80 ASP H H 115 7.746 7.746 9.070 -1.324 18179 300 1 1 . 1 1 81 81 LYS N N 116 129.056 129.056 122.124 6.932 18179 301 1 1 . 1 1 81 81 LYS HA H 116 3.828 3.828 4.342 -0.514 18179 302 1 1 . 1 1 81 81 LYS C C 116 179.118 179.118 176.612 2.506 18179 303 1 1 . 1 1 81 81 LYS CA C 116 57.957 57.957 57.715 0.242 18179 304 1 1 . 1 1 81 81 LYS CB C 116 31.273 31.273 32.069 -0.796 18179 305 1 1 . 1 1 81 81 LYS H H 116 8.873 8.873 7.929 0.944 18179 306 1 1 . 1 1 82 82 HIS N N 117 116.887 116.887 112.967 3.920 18179 307 1 1 . 1 1 82 82 HIS HA H 117 4.290 4.290 4.488 -0.198 18179 308 1 1 . 1 1 82 82 HIS C C 117 175.622 175.622 175.388 0.234 18179 309 1 1 . 1 1 82 82 HIS CA C 117 57.865 57.865 57.461 0.404 18179 310 1 1 . 1 1 82 82 HIS CB C 117 27.704 27.704 29.091 -1.387 18179 311 1 1 . 1 1 82 82 HIS H H 117 8.707 8.707 8.344 0.363 18179 312 1 1 . 1 1 83 83 LEU N N 118 113.733 113.733 118.895 -5.162 18179 313 1 1 . 1 1 83 83 LEU HA H 118 4.290 4.290 4.346 -0.056 18179 314 1 1 . 1 1 83 83 LEU C C 118 175.949 175.949 176.324 -0.375 18179 315 1 1 . 1 1 83 83 LEU CA C 118 53.982 53.982 54.650 -0.668 18179 316 1 1 . 1 1 83 83 LEU CB C 118 41.734 41.734 43.828 -2.094 18179 317 1 1 . 1 1 83 83 LEU H H 118 7.332 7.332 7.239 0.093 18179 318 1 1 . 1 1 84 84 SER N N 119 111.979 111.979 113.705 -1.726 18179 319 1 1 . 1 1 84 84 SER HA H 119 4.632 4.632 4.850 -0.218 18179 320 1 1 . 1 1 84 84 SER C C 119 173.830 173.830 172.945 0.885 18179 321 1 1 . 1 1 84 84 SER CA C 119 55.581 55.581 55.782 -0.201 18179 322 1 1 . 1 1 84 84 SER CB C 119 62.367 62.367 63.832 -1.465 18179 323 1 1 . 1 1 84 84 SER H H 119 7.268 7.268 7.558 -0.290 18179 324 1 1 . 1 1 85 85 PRO HA H 120 4.384 4.384 4.337 0.047 18179 325 1 1 . 1 1 85 85 PRO C C 120 177.881 177.881 175.974 1.907 18179 326 1 1 . 1 1 85 85 PRO CA C 120 65.292 65.292 64.766 0.526 18179 327 1 1 . 1 1 85 85 PRO CB C 120 31.942 31.942 31.818 0.124 18179 328 1 1 . 1 1 86 86 ASP N N 121 117.614 117.614 114.066 3.548 18179 329 1 1 . 1 1 86 86 ASP HA H 121 4.960 4.960 4.603 0.357 18179 330 1 1 . 1 1 86 86 ASP C C 121 174.734 174.734 176.554 -1.820 18179 331 1 1 . 1 1 86 86 ASP CA C 121 51.999 51.999 53.152 -1.153 18179 332 1 1 . 1 1 86 86 ASP CB C 121 40.327 40.327 40.660 -0.333 18179 333 1 1 . 1 1 86 86 ASP H H 121 8.882 8.882 8.053 0.829 18179 334 1 1 . 1 1 87 87 GLY N N 122 106.815 106.815 107.725 -0.910 18179 335 1 1 . 1 1 87 87 GLY C C 122 173.401 173.401 174.221 -0.820 18179 336 1 1 . 1 1 87 87 GLY CA C 122 43.814 43.814 44.619 -0.805 18179 337 1 1 . 1 1 87 87 GLY H H 122 6.973 6.973 7.581 -0.608 18179 338 1 1 . 1 1 88 88 GLN N N 123 118.319 118.319 116.471 1.848 18179 339 1 1 . 1 1 88 88 GLN HA H 123 3.984 3.984 4.086 -0.102 18179 340 1 1 . 1 1 88 88 GLN C C 123 174.141 174.141 174.153 -0.012 18179 341 1 1 . 1 1 88 88 GLN CA C 123 54.717 54.717 55.310 -0.593 18179 342 1 1 . 1 1 88 88 GLN CB C 123 27.267 27.267 27.860 -0.593 18179 343 1 1 . 1 1 88 88 GLN H H 123 8.224 8.224 7.799 0.425 18179 344 1 1 . 1 1 89 89 TYR N N 124 117.220 117.220 117.792 -0.572 18179 345 1 1 . 1 1 89 89 TYR HA H 124 4.596 4.596 4.673 -0.077 18179 346 1 1 . 1 1 89 89 TYR C C 124 173.402 173.402 175.637 -2.235 18179 347 1 1 . 1 1 89 89 TYR CA C 124 54.672 54.672 56.586 -1.914 18179 348 1 1 . 1 1 89 89 TYR CB C 124 38.970 38.970 40.419 -1.448 18179 349 1 1 . 1 1 89 89 TYR H H 124 5.954 5.954 7.295 -1.341 18179 350 1 1 . 1 1 90 90 VAL N N 125 109.249 109.249 122.336 -13.087 18179 351 1 1 . 1 1 90 90 VAL HA H 125 4.572 4.572 4.060 0.512 18179 352 1 1 . 1 1 90 90 VAL C C 125 173.254 173.254 175.182 -1.928 18179 353 1 1 . 1 1 90 90 VAL CA C 125 57.982 57.982 65.121 -7.139 18179 354 1 1 . 1 1 90 90 VAL CB C 125 35.376 35.376 30.746 4.630 18179 355 1 1 . 1 1 90 90 VAL H H 125 8.303 8.303 8.851 -0.548 18179 356 1 1 . 1 1 92 92 ARG HA H 127 5.178 5.178 4.279 0.899 18179 357 1 1 . 1 1 92 92 ARG CA C 127 55.689 55.689 55.946 -0.257 18179 358 1 1 . 1 1 93 93 ILE N N 128 127.696 127.696 127.345 0.351 18179 359 1 1 . 1 1 93 93 ILE HA H 128 5.088 5.088 5.029 0.059 18179 360 1 1 . 1 1 93 93 ILE CA C 128 61.063 61.063 59.705 1.358 18179 361 1 1 . 1 1 93 93 ILE CB C 128 39.101 39.101 40.133 -1.032 18179 362 1 1 . 1 1 93 93 ILE H H 128 9.099 9.099 8.185 0.914 18179 363 1 1 . 1 1 94 94 MET N N 129 122.683 122.683 128.467 -5.784 18179 364 1 1 . 1 1 94 94 MET C C 129 174.006 174.006 173.909 0.097 18179 365 1 1 . 1 1 94 94 MET CA C 129 51.503 51.503 54.592 -3.089 18179 366 1 1 . 1 1 94 94 MET CB C 129 34.764 34.764 36.569 -1.805 18179 367 1 1 . 1 1 94 94 MET H H 129 8.496 8.496 8.607 -0.111 18179 368 1 1 . 1 1 95 95 PHE N N 130 118.014 118.014 122.743 -4.729 18179 369 1 1 . 1 1 95 95 PHE HA H 130 5.589 5.589 5.809 -0.220 18179 370 1 1 . 1 1 95 95 PHE C C 130 174.811 174.811 173.303 1.508 18179 371 1 1 . 1 1 95 95 PHE CA C 130 56.432 56.432 55.205 1.227 18179 372 1 1 . 1 1 95 95 PHE CB C 130 41.941 41.941 40.977 0.964 18179 373 1 1 . 1 1 95 95 PHE H H 130 8.573 8.573 8.653 -0.080 18179 374 1 1 . 1 1 96 96 VAL N N 131 122.847 122.847 120.064 2.783 18179 375 1 1 . 1 1 96 96 VAL HA H 131 4.337 4.337 4.113 0.224 18179 376 1 1 . 1 1 96 96 VAL C C 131 174.303 174.303 173.884 0.419 18179 377 1 1 . 1 1 96 96 VAL CA C 131 61.405 61.405 60.894 0.511 18179 378 1 1 . 1 1 96 96 VAL CB C 131 34.679 34.679 36.151 -1.472 18179 379 1 1 . 1 1 96 96 VAL H H 131 9.855 9.855 8.558 1.297 18179 380 1 1 . 1 1 97 97 ASP N N 132 128.042 128.042 121.852 6.190 18179 381 1 1 . 1 1 97 97 ASP HA H 132 4.883 4.883 4.948 -0.065 18179 382 1 1 . 1 1 97 97 ASP C C 132 174.958 174.958 174.240 0.718 18179 383 1 1 . 1 1 97 97 ASP CA C 132 53.082 53.082 51.871 1.211 18179 384 1 1 . 1 1 97 97 ASP CB C 132 45.484 45.484 44.631 0.853 18179 385 1 1 . 1 1 97 97 ASP H H 132 8.399 8.399 8.253 0.146 18179 386 1 1 . 1 1 98 98 PRO HA H 133 4.566 4.566 4.559 0.007 18179 387 1 1 . 1 1 98 98 PRO C C 133 175.650 175.650 177.276 -1.626 18179 388 1 1 . 1 1 98 98 PRO CA C 133 65.207 65.207 64.971 0.236 18179 389 1 1 . 1 1 98 98 PRO CB C 133 31.858 31.858 32.376 -0.518 18179 390 1 1 . 1 1 99 99 SER N N 134 111.171 111.171 112.820 -1.649 18179 391 1 1 . 1 1 99 99 SER HA H 134 4.122 4.122 4.452 -0.330 18179 392 1 1 . 1 1 99 99 SER C C 134 175.303 175.303 175.976 -0.673 18179 393 1 1 . 1 1 99 99 SER CA C 134 60.237 60.237 60.200 0.037 18179 394 1 1 . 1 1 99 99 SER CB C 134 64.471 64.471 63.599 0.872 18179 395 1 1 . 1 1 99 99 SER H H 134 8.154 8.154 8.201 -0.047 18179 396 1 1 . 1 1 100 100 LEU N N 135 118.112 118.112 120.236 -2.124 18179 397 1 1 . 1 1 100 100 LEU HA H 135 3.683 3.683 4.363 -0.680 18179 398 1 1 . 1 1 100 100 LEU C C 135 175.886 175.886 176.471 -0.585 18179 399 1 1 . 1 1 100 100 LEU CA C 135 56.548 56.548 56.233 0.316 18179 400 1 1 . 1 1 100 100 LEU CB C 135 36.922 36.922 43.080 -6.158 18179 401 1 1 . 1 1 100 100 LEU H H 135 9.194 9.194 8.933 0.261 18179 402 1 1 . 1 1 101 101 THR N N 136 116.048 116.048 109.456 6.592 18179 403 1 1 . 1 1 101 101 THR HA H 136 4.191 4.191 4.123 0.068 18179 404 1 1 . 1 1 101 101 THR C C 136 173.771 173.771 172.682 1.089 18179 405 1 1 . 1 1 101 101 THR CA C 136 62.123 62.123 62.387 -0.264 18179 406 1 1 . 1 1 101 101 THR CB C 136 70.407 70.407 68.681 1.726 18179 407 1 1 . 1 1 101 101 THR H H 136 7.022 7.022 7.547 -0.525 18179 408 1 1 . 1 1 102 102 VAL N N 137 129.098 129.098 119.957 9.141 18179 409 1 1 . 1 1 102 102 VAL HA H 137 3.874 3.874 3.474 0.400 18179 410 1 1 . 1 1 102 102 VAL C C 137 177.079 177.079 175.896 1.183 18179 411 1 1 . 1 1 102 102 VAL CA C 137 64.163 64.163 61.305 2.858 18179 412 1 1 . 1 1 102 102 VAL CB C 137 31.858 31.858 33.137 -1.279 18179 413 1 1 . 1 1 102 102 VAL H H 137 9.039 9.039 8.092 0.947 18179 414 1 1 . 1 1 103 103 ARG N N 138 128.421 128.421 125.562 2.859 18179 415 1 1 . 1 1 103 103 ARG HA H 138 4.724 4.724 4.481 0.243 18179 416 1 1 . 1 1 103 103 ARG C C 138 177.315 177.315 175.795 1.520 18179 417 1 1 . 1 1 103 103 ARG CA C 138 50.845 50.845 54.955 -4.109 18179 418 1 1 . 1 1 103 103 ARG CB C 138 25.210 25.210 32.070 -6.860 18179 419 1 1 . 1 1 103 103 ARG H H 138 9.355 9.355 8.091 1.264 18179 420 1 1 . 1 1 104 104 ALA N N 139 130.638 130.638 123.620 7.018 18179 421 1 1 . 1 1 104 104 ALA HA H 139 4.128 4.128 4.578 -0.450 18179 422 1 1 . 1 1 104 104 ALA C C 139 170.819 170.819 176.879 -6.060 18179 423 1 1 . 1 1 104 104 ALA CA C 139 53.517 53.517 52.042 1.475 18179 424 1 1 . 1 1 104 104 ALA CB C 139 18.047 18.047 19.780 -1.733 18179 425 1 1 . 1 1 104 104 ALA H H 139 8.340 8.340 8.465 -0.125 18179 426 1 1 . 1 1 105 105 ASP N N 140 113.599 113.599 120.818 -7.219 18179 427 1 1 . 1 1 105 105 ASP HA H 140 4.356 4.356 4.772 -0.416 18179 428 1 1 . 1 1 105 105 ASP C C 140 175.173 175.173 174.905 0.268 18179 429 1 1 . 1 1 105 105 ASP CA C 140 54.097 54.097 53.519 0.578 18179 430 1 1 . 1 1 105 105 ASP CB C 140 39.219 39.219 40.262 -1.043 18179 431 1 1 . 1 1 105 105 ASP H H 140 9.653 9.653 8.384 1.269 18179 432 1 1 . 1 1 106 106 ILE N N 141 122.867 122.867 122.381 0.486 18179 433 1 1 . 1 1 106 106 ILE HA H 141 4.332 4.332 4.110 0.222 18179 434 1 1 . 1 1 106 106 ILE C C 141 174.778 174.778 175.918 -1.140 18179 435 1 1 . 1 1 106 106 ILE CA C 141 62.464 62.464 60.969 1.495 18179 436 1 1 . 1 1 106 106 ILE CB C 141 36.210 36.210 35.617 0.592 18179 437 1 1 . 1 1 106 106 ILE H H 141 7.541 7.541 7.739 -0.198 18179 438 1 1 . 1 1 107 107 THR N N 142 117.525 117.525 122.959 -5.434 18179 439 1 1 . 1 1 107 107 THR HA H 142 4.721 4.721 4.578 0.143 18179 440 1 1 . 1 1 107 107 THR C C 142 175.898 175.898 172.842 3.056 18179 441 1 1 . 1 1 107 107 THR CA C 142 59.199 59.199 60.820 -1.621 18179 442 1 1 . 1 1 107 107 THR CB C 142 71.817 71.817 71.268 0.549 18179 443 1 1 . 1 1 107 107 THR H H 142 7.816 7.816 7.918 -0.102 18179 444 1 1 . 1 1 108 108 GLY N N 143 109.853 109.853 108.888 0.965 18179 445 1 1 . 1 1 108 108 GLY C C 143 174.389 174.389 174.126 0.263 18179 446 1 1 . 1 1 108 108 GLY CA C 143 44.291 44.291 45.475 -1.184 18179 447 1 1 . 1 1 108 108 GLY H H 143 8.891 8.891 8.080 0.811 18179 448 1 1 . 1 1 109 109 ARG N N 144 116.076 116.076 120.989 -4.913 18179 449 1 1 . 1 1 109 109 ARG HA H 144 4.006 4.006 4.113 -0.107 18179 450 1 1 . 1 1 109 109 ARG C C 144 176.521 176.521 175.933 0.588 18179 451 1 1 . 1 1 109 109 ARG CA C 144 55.989 55.989 58.436 -2.447 18179 452 1 1 . 1 1 109 109 ARG CB C 144 30.851 30.851 30.904 -0.053 18179 453 1 1 . 1 1 109 109 ARG H H 144 8.108 8.108 8.406 -0.298 18179 454 1 1 . 1 1 110 110 TYR N N 145 123.010 123.010 116.563 6.447 18179 455 1 1 . 1 1 110 110 TYR HA H 145 4.506 4.506 4.567 -0.061 18179 456 1 1 . 1 1 110 110 TYR C C 145 178.395 178.395 174.654 3.741 18179 457 1 1 . 1 1 110 110 TYR CA C 145 57.217 57.217 56.901 0.316 18179 458 1 1 . 1 1 110 110 TYR CB C 145 37.232 37.232 40.556 -3.324 18179 459 1 1 . 1 1 110 110 TYR H H 145 8.825 8.825 7.805 1.020 18179 460 1 1 . 1 1 111 111 SER N N 146 120.152 120.152 118.806 1.346 18179 461 1 1 . 1 1 111 111 SER HA H 146 3.948 3.948 4.336 -0.388 18179 462 1 1 . 1 1 111 111 SER C C 146 174.939 174.939 173.710 1.229 18179 463 1 1 . 1 1 111 111 SER CA C 146 60.850 60.850 58.926 1.924 18179 464 1 1 . 1 1 111 111 SER CB C 146 62.776 62.776 62.863 -0.087 18179 465 1 1 . 1 1 111 111 SER H H 146 8.616 8.616 8.264 0.352 18179 466 1 1 . 1 1 112 112 ASN N N 147 116.146 116.146 117.144 -0.998 18179 467 1 1 . 1 1 112 112 ASN HA H 147 4.558 4.558 4.627 -0.069 18179 468 1 1 . 1 1 112 112 ASN C C 147 173.693 173.693 175.018 -1.325 18179 469 1 1 . 1 1 112 112 ASN CA C 147 53.209 53.209 53.822 -0.613 18179 470 1 1 . 1 1 112 112 ASN CB C 147 37.534 37.534 39.117 -1.583 18179 471 1 1 . 1 1 112 112 ASN H H 147 8.374 8.374 7.533 0.841 18179 472 1 1 . 1 1 113 113 ARG N N 148 121.673 121.673 121.006 0.667 18179 473 1 1 . 1 1 113 113 ARG HA H 148 4.226 4.226 4.212 0.014 18179 474 1 1 . 1 1 113 113 ARG C C 148 176.358 176.358 175.093 1.265 18179 475 1 1 . 1 1 113 113 ARG CA C 148 55.251 55.251 55.321 -0.070 18179 476 1 1 . 1 1 113 113 ARG CB C 148 30.973 30.973 29.260 1.713 18179 477 1 1 . 1 1 113 113 ARG H H 148 6.782 6.782 8.210 -1.428 18179 478 1 1 . 1 1 114 114 LEU N N 149 125.966 125.966 122.330 3.636 18179 479 1 1 . 1 1 114 114 LEU HA H 149 3.776 3.776 4.468 -0.692 18179 480 1 1 . 1 1 114 114 LEU C C 149 175.787 175.787 175.962 -0.175 18179 481 1 1 . 1 1 114 114 LEU CA C 149 57.640 57.640 55.202 2.438 18179 482 1 1 . 1 1 114 114 LEU CB C 149 43.153 43.153 44.100 -0.947 18179 483 1 1 . 1 1 114 114 LEU H H 149 9.976 9.976 7.731 2.245 18179 484 1 1 . 1 1 115 115 TYR N N 150 115.137 115.137 113.943 1.194 18179 485 1 1 . 1 1 115 115 TYR HA H 150 4.947 4.947 4.808 0.139 18179 486 1 1 . 1 1 115 115 TYR C C 150 174.449 174.449 173.569 0.880 18179 487 1 1 . 1 1 115 115 TYR CA C 150 55.986 55.986 55.710 0.276 18179 488 1 1 . 1 1 115 115 TYR CB C 150 38.660 38.660 38.279 0.381 18179 489 1 1 . 1 1 115 115 TYR H H 150 8.272 8.272 7.206 1.066 18179 490 1 1 . 1 1 116 116 ALA N N 151 121.349 121.349 128.400 -7.051 18179 491 1 1 . 1 1 116 116 ALA HA H 151 5.086 5.086 4.586 0.500 18179 492 1 1 . 1 1 116 116 ALA C C 151 177.541 177.541 175.629 1.912 18179 493 1 1 . 1 1 116 116 ALA CA C 151 51.614 51.614 50.933 0.681 18179 494 1 1 . 1 1 116 116 ALA CB C 151 21.262 21.262 21.476 -0.214 18179 495 1 1 . 1 1 116 116 ALA H H 151 7.515 7.515 8.216 -0.701 18179 496 1 1 . 1 1 117 117 TYR N N 152 115.287 115.287 113.963 1.324 18179 497 1 1 . 1 1 117 117 TYR HA H 152 4.693 4.693 4.783 -0.090 18179 498 1 1 . 1 1 117 117 TYR C C 152 173.749 173.749 174.962 -1.213 18179 499 1 1 . 1 1 117 117 TYR CA C 152 58.142 58.142 55.436 2.706 18179 500 1 1 . 1 1 117 117 TYR CB C 152 42.827 42.827 38.817 4.010 18179 501 1 1 . 1 1 117 117 TYR H H 152 6.916 6.916 7.807 -0.891 18179 502 1 1 . 1 1 118 118 GLU N N 153 122.624 122.624 121.256 1.368 18179 503 1 1 . 1 1 118 118 GLU HA H 153 4.951 4.951 4.719 0.232 18179 504 1 1 . 1 1 118 118 GLU C C 153 175.895 175.895 175.581 0.314 18179 505 1 1 . 1 1 118 118 GLU CA C 153 54.029 54.029 53.001 1.028 18179 506 1 1 . 1 1 118 118 GLU CB C 153 29.513 29.513 29.912 -0.399 18179 507 1 1 . 1 1 118 118 GLU H H 153 9.508 9.508 7.772 1.736 18179 508 1 1 . 1 1 119 119 PRO HA H 154 4.119 4.119 4.312 -0.193 18179 509 1 1 . 1 1 119 119 PRO C C 154 176.457 176.457 176.716 -0.259 18179 510 1 1 . 1 1 119 119 PRO CA C 154 66.240 66.240 64.680 1.560 18179 511 1 1 . 1 1 119 119 PRO CB C 154 31.682 31.682 31.545 0.137 18179 512 1 1 . 1 1 120 120 ALA N N 155 114.721 114.721 117.439 -2.718 18179 513 1 1 . 1 1 120 120 ALA HA H 155 4.372 4.372 4.200 0.172 18179 514 1 1 . 1 1 120 120 ALA C C 155 178.528 178.528 178.595 -0.067 18179 515 1 1 . 1 1 120 120 ALA CA C 155 53.148 53.148 53.757 -0.609 18179 516 1 1 . 1 1 120 120 ALA CB C 155 18.782 18.782 18.880 -0.098 18179 517 1 1 . 1 1 120 120 ALA H H 155 7.697 7.697 7.744 -0.047 18179 518 1 1 . 1 1 121 121 ASP N N 156 117.502 117.502 118.915 -1.413 18179 519 1 1 . 1 1 121 121 ASP HA H 156 5.154 5.154 4.594 0.560 18179 520 1 1 . 1 1 121 121 ASP C C 156 176.756 176.756 177.153 -0.397 18179 521 1 1 . 1 1 121 121 ASP CA C 156 54.742 54.742 54.862 -0.120 18179 522 1 1 . 1 1 121 121 ASP CB C 156 42.326 42.326 40.346 1.980 18179 523 1 1 . 1 1 121 121 ASP H H 156 8.493 8.493 7.888 0.605 18179 524 1 1 . 1 1 122 122 THR N N 157 111.372 111.372 113.456 -2.084 18179 525 1 1 . 1 1 122 122 THR HA H 157 3.738 3.738 3.914 -0.176 18179 526 1 1 . 1 1 122 122 THR C C 157 176.023 176.023 175.985 0.038 18179 527 1 1 . 1 1 122 122 THR CA C 157 66.673 66.673 66.416 0.257 18179 528 1 1 . 1 1 122 122 THR CB C 157 67.967 67.967 68.600 -0.633 18179 529 1 1 . 1 1 122 122 THR H H 157 7.428 7.428 7.656 -0.228 18179 530 1 1 . 1 1 123 123 ALA N N 158 123.853 123.853 124.021 -0.168 18179 531 1 1 . 1 1 123 123 ALA HA H 158 4.133 4.133 4.172 -0.039 18179 532 1 1 . 1 1 123 123 ALA C C 158 179.987 179.987 179.429 0.558 18179 533 1 1 . 1 1 123 123 ALA CA C 158 55.545 55.545 55.064 0.481 18179 534 1 1 . 1 1 123 123 ALA CB C 158 17.458 17.458 18.138 -0.680 18179 535 1 1 . 1 1 123 123 ALA H H 158 8.663 8.663 8.458 0.205 18179 536 1 1 . 1 1 124 124 LEU N N 159 121.199 121.199 119.824 1.375 18179 537 1 1 . 1 1 124 124 LEU HA H 159 4.229 4.229 4.090 0.139 18179 538 1 1 . 1 1 124 124 LEU C C 159 178.342 178.342 179.279 -0.937 18179 539 1 1 . 1 1 124 124 LEU CA C 159 57.329 57.329 57.483 -0.154 18179 540 1 1 . 1 1 124 124 LEU CB C 159 41.956 41.956 40.705 1.251 18179 541 1 1 . 1 1 124 124 LEU H H 159 7.444 7.444 7.812 -0.368 18179 542 1 1 . 1 1 125 125 LEU N N 160 119.836 119.836 120.247 -0.411 18179 543 1 1 . 1 1 125 125 LEU HA H 160 3.963 3.963 4.038 -0.075 18179 544 1 1 . 1 1 125 125 LEU C C 160 178.168 178.168 179.724 -1.556 18179 545 1 1 . 1 1 125 125 LEU CA C 160 58.475 58.475 58.423 0.052 18179 546 1 1 . 1 1 125 125 LEU CB C 160 40.915 40.915 40.947 -0.031 18179 547 1 1 . 1 1 125 125 LEU H H 160 8.430 8.430 8.713 -0.283 18179 548 1 1 . 1 1 126 126 LEU N N 161 120.046 120.046 120.649 -0.603 18179 549 1 1 . 1 1 126 126 LEU HA H 161 4.000 4.000 3.913 0.087 18179 550 1 1 . 1 1 126 126 LEU C C 161 178.848 178.848 178.478 0.370 18179 551 1 1 . 1 1 126 126 LEU CA C 161 58.524 58.524 58.215 0.309 18179 552 1 1 . 1 1 126 126 LEU CB C 161 42.005 42.005 41.974 0.031 18179 553 1 1 . 1 1 126 126 LEU H H 161 8.127 8.127 8.143 -0.016 18179 554 1 1 . 1 1 127 127 ASP N N 162 119.057 119.057 119.130 -0.073 18179 555 1 1 . 1 1 127 127 ASP HA H 162 4.267 4.267 4.219 0.048 18179 556 1 1 . 1 1 127 127 ASP C C 162 179.299 179.299 178.811 0.488 18179 557 1 1 . 1 1 127 127 ASP CA C 162 57.699 57.699 58.048 -0.349 18179 558 1 1 . 1 1 127 127 ASP CB C 162 40.564 40.564 40.857 -0.293 18179 559 1 1 . 1 1 127 127 ASP H H 162 7.872 7.872 8.633 -0.761 18179 560 1 1 . 1 1 128 128 ASN N N 163 122.268 122.268 118.196 4.072 18179 561 1 1 . 1 1 128 128 ASN HA H 163 4.423 4.423 4.531 -0.108 18179 562 1 1 . 1 1 128 128 ASN C C 163 177.256 177.256 177.809 -0.553 18179 563 1 1 . 1 1 128 128 ASN CA C 163 54.502 54.502 55.514 -1.012 18179 564 1 1 . 1 1 128 128 ASN CB C 163 36.821 36.821 38.508 -1.687 18179 565 1 1 . 1 1 128 128 ASN H H 163 8.711 8.711 8.371 0.340 18179 566 1 1 . 1 1 129 129 MET N N 164 122.448 122.448 119.583 2.865 18179 567 1 1 . 1 1 129 129 MET HA H 164 3.583 3.583 4.014 -0.431 18179 568 1 1 . 1 1 129 129 MET C C 164 178.272 178.272 178.278 -0.006 18179 569 1 1 . 1 1 129 129 MET CA C 164 59.617 59.617 59.360 0.257 18179 570 1 1 . 1 1 129 129 MET CB C 164 34.481 34.481 32.602 1.879 18179 571 1 1 . 1 1 129 129 MET H H 164 8.704 8.704 8.353 0.351 18179 572 1 1 . 1 1 130 130 LYS N N 165 117.243 117.243 118.081 -0.838 18179 573 1 1 . 1 1 130 130 LYS HA H 165 3.869 3.869 4.053 -0.184 18179 574 1 1 . 1 1 130 130 LYS C C 165 180.050 180.050 178.815 1.235 18179 575 1 1 . 1 1 130 130 LYS CA C 165 60.517 60.517 58.238 2.279 18179 576 1 1 . 1 1 130 130 LYS CB C 165 31.836 31.836 31.702 0.134 18179 577 1 1 . 1 1 130 130 LYS H H 165 7.767 7.767 8.068 -0.301 18179 578 1 1 . 1 1 131 131 LYS N N 166 120.486 120.486 118.547 1.939 18179 579 1 1 . 1 1 131 131 LYS HA H 166 3.853 3.853 4.089 -0.236 18179 580 1 1 . 1 1 131 131 LYS C C 166 179.232 179.232 178.198 1.034 18179 581 1 1 . 1 1 131 131 LYS CA C 166 60.171 60.171 58.323 1.848 18179 582 1 1 . 1 1 131 131 LYS CB C 166 32.783 32.783 32.294 0.489 18179 583 1 1 . 1 1 131 131 LYS H H 166 7.914 7.914 7.421 0.493 18179 584 1 1 . 1 1 132 132 ALA N N 167 122.426 122.426 120.143 2.283 18179 585 1 1 . 1 1 132 132 ALA HA H 167 3.625 3.625 4.146 -0.521 18179 586 1 1 . 1 1 132 132 ALA C C 167 177.616 177.616 178.824 -1.208 18179 587 1 1 . 1 1 132 132 ALA CA C 167 54.246 54.246 53.199 1.047 18179 588 1 1 . 1 1 132 132 ALA CB C 167 18.261 18.261 19.017 -0.756 18179 589 1 1 . 1 1 132 132 ALA H H 167 7.801 7.801 7.482 0.319 18179 590 1 1 . 1 1 133 133 LEU N N 168 113.735 113.735 118.868 -5.133 18179 591 1 1 . 1 1 133 133 LEU HA H 168 3.747 3.747 3.965 -0.218 18179 592 1 1 . 1 1 133 133 LEU C C 168 177.322 177.322 175.579 1.743 18179 593 1 1 . 1 1 133 133 LEU CA C 168 55.892 55.892 55.833 0.059 18179 594 1 1 . 1 1 133 133 LEU CB C 168 42.159 42.159 42.296 -0.137 18179 595 1 1 . 1 1 133 133 LEU H H 168 7.010 7.010 7.540 -0.530 18179 596 1 1 . 1 1 134 134 LYS N N 169 123.034 123.034 116.842 6.192 18179 597 1 1 . 1 1 134 134 LYS HA H 169 4.331 4.331 4.048 0.283 18179 598 1 1 . 1 1 134 134 LYS C C 169 174.307 174.307 174.302 0.005 18179 599 1 1 . 1 1 134 134 LYS CA C 169 55.382 55.382 55.485 -0.103 18179 600 1 1 . 1 1 134 134 LYS CB C 169 29.718 29.718 32.584 -2.866 18179 601 1 1 . 1 1 134 134 LYS H H 169 7.202 7.202 6.983 0.219 18179 602 1 1 . 1 1 135 135 LEU N N 170 120.490 120.490 125.746 -5.256 18179 603 1 1 . 1 1 135 135 LEU HA H 170 3.980 3.980 4.511 -0.531 18179 604 1 1 . 1 1 135 135 LEU C C 170 178.427 178.427 174.722 3.705 18179 605 1 1 . 1 1 135 135 LEU CA C 170 54.884 54.884 53.922 0.962 18179 606 1 1 . 1 1 135 135 LEU CB C 170 40.903 40.903 42.745 -1.842 18179 607 1 1 . 1 1 135 135 LEU H H 170 7.334 7.334 7.909 -0.575 18179 608 1 1 . 1 1 136 136 LEU N N 171 120.084 120.084 126.178 -6.094 18179 609 1 1 . 1 1 136 136 LEU HA H 171 4.040 4.040 4.626 -0.586 18179 610 1 1 . 1 1 136 136 LEU C C 171 178.231 178.231 176.743 1.488 18179 611 1 1 . 1 1 136 136 LEU CA C 171 55.750 55.750 52.310 3.440 18179 612 1 1 . 1 1 136 136 LEU CB C 171 41.734 41.734 43.450 -1.716 18179 613 1 1 . 1 1 136 136 LEU H H 171 8.614 8.614 8.197 0.417 18179 614 1 1 . 1 1 137 137 LYS N N 172 121.059 121.059 119.872 1.187 18179 615 1 1 . 1 1 137 137 LYS HA H 172 4.333 4.333 4.490 -0.157 18179 616 1 1 . 1 1 137 137 LYS C C 172 174.388 174.388 176.875 -2.487 18179 617 1 1 . 1 1 137 137 LYS CA C 172 55.903 55.903 55.376 0.527 18179 618 1 1 . 1 1 137 137 LYS CB C 172 32.681 32.681 32.864 -0.183 18179 619 1 1 . 1 1 137 137 LYS H H 172 8.468 8.468 8.289 0.179 18179 620 1 1 . 1 1 138 138 THR N N 173 116.267 116.267 112.422 3.845 18179 621 1 1 . 1 1 138 138 THR HA H 173 4.261 4.261 4.566 -0.305 18179 622 1 1 . 1 1 138 138 THR C C 173 174.267 174.267 174.509 -0.242 18179 623 1 1 . 1 1 138 138 THR CA C 173 61.867 61.867 61.020 0.847 18179 624 1 1 . 1 1 138 138 THR CB C 173 69.848 69.848 70.517 -0.669 18179 625 1 1 . 1 1 138 138 THR H H 173 8.095 8.095 7.684 0.411 18179 626 1 1 . 1 1 139 139 GLU N N 174 123.648 123.648 119.864 3.784 18179 627 1 1 . 1 1 139 139 GLU HA H 174 4.288 4.288 4.396 -0.108 18179 628 1 1 . 1 1 139 139 GLU C C 174 175.178 175.178 176.031 -0.853 18179 629 1 1 . 1 1 139 139 GLU CA C 174 56.205 56.205 56.842 -0.637 18179 630 1 1 . 1 1 139 139 GLU CB C 174 30.353 30.353 29.823 0.530 18179 631 1 1 . 1 1 139 139 GLU H H 174 8.293 8.293 8.698 -0.405 18179 632 1 2 . 1 1 17 17 LEU N N 52 120.529 120.529 129.233 -8.704 18179 633 1 2 . 1 1 17 17 LEU HA H 52 4.317 4.317 4.351 -0.034 18179 634 1 2 . 1 1 17 17 LEU CA C 52 53.456 53.456 56.188 -2.732 18179 635 1 2 . 1 1 17 17 LEU CB C 52 42.494 42.494 41.273 1.221 18179 636 1 2 . 1 1 17 17 LEU H H 52 7.103 7.103 8.911 -1.808 18179 637 1 2 . 1 1 18 18 ILE CB C 53 36.458 36.458 39.529 -3.071 18179 638 1 2 . 1 1 23 23 TYR HA H 58 4.359 4.359 4.331 0.028 18179 639 1 2 . 1 1 23 23 TYR C C 58 176.387 176.387 176.724 -0.337 18179 640 1 2 . 1 1 23 23 TYR CA C 58 59.597 59.597 62.292 -2.695 18179 641 1 2 . 1 1 23 23 TYR CB C 58 38.572 38.572 39.264 -0.692 18179 642 1 2 . 1 1 24 24 GLU N N 59 117.335 117.335 118.984 -1.649 18179 643 1 2 . 1 1 24 24 GLU CA C 59 60.871 60.871 59.538 1.333 18179 644 1 2 . 1 1 24 24 GLU CB C 59 28.494 28.494 28.003 0.491 18179 645 1 2 . 1 1 24 24 GLU H H 59 9.191 9.191 9.066 0.125 18179 646 1 2 . 1 1 25 25 ALA N N 60 120.861 120.861 121.177 -0.316 18179 647 1 2 . 1 1 25 25 ALA CA C 60 54.555 54.555 54.431 0.124 18179 648 1 2 . 1 1 25 25 ALA CB C 60 18.528 18.528 18.049 0.479 18179 649 1 2 . 1 1 25 25 ALA H H 60 7.688 7.688 8.311 -0.623 18179 650 1 2 . 1 1 26 26 ALA N N 61 123.402 123.402 122.538 0.864 18179 651 1 2 . 1 1 26 26 ALA HA H 61 3.900 3.900 4.139 -0.239 18179 652 1 2 . 1 1 26 26 ALA CA C 61 55.346 55.346 54.873 0.473 18179 653 1 2 . 1 1 26 26 ALA CB C 61 19.104 19.104 18.444 0.660 18179 654 1 2 . 1 1 26 26 ALA H H 61 8.225 8.225 7.506 0.719 18179 655 1 2 . 1 1 27 27 LEU N N 62 118.742 118.742 119.538 -0.796 18179 656 1 2 . 1 1 27 27 LEU HA H 62 3.700 3.700 4.184 -0.484 18179 657 1 2 . 1 1 27 27 LEU C C 62 171.911 171.911 179.174 -7.263 18179 658 1 2 . 1 1 27 27 LEU CA C 62 57.654 57.654 57.838 -0.184 18179 659 1 2 . 1 1 27 27 LEU CB C 62 41.905 41.905 41.523 0.382 18179 660 1 2 . 1 1 27 27 LEU H H 62 8.336 8.336 7.966 0.370 18179 661 1 2 . 1 1 28 28 TYR N N 63 117.594 117.594 120.086 -2.492 18179 662 1 2 . 1 1 28 28 TYR HA H 63 4.007 4.007 4.045 -0.038 18179 663 1 2 . 1 1 28 28 TYR C C 63 179.075 179.075 177.321 1.754 18179 664 1 2 . 1 1 28 28 TYR CA C 63 61.769 61.769 62.243 -0.474 18179 665 1 2 . 1 1 28 28 TYR CB C 63 38.071 38.071 38.672 -0.601 18179 666 1 2 . 1 1 28 28 TYR H H 63 7.279 7.279 7.970 -0.691 18179 667 1 2 . 1 1 29 29 LYS N N 64 121.077 121.077 120.683 0.394 18179 668 1 2 . 1 1 29 29 LYS HA H 64 3.663 3.663 4.077 -0.414 18179 669 1 2 . 1 1 29 29 LYS C C 64 176.394 176.394 179.418 -3.024 18179 670 1 2 . 1 1 29 29 LYS CA C 64 59.230 59.230 59.059 0.171 18179 671 1 2 . 1 1 29 29 LYS CB C 64 32.573 32.573 32.727 -0.154 18179 672 1 2 . 1 1 29 29 LYS H H 64 8.472 8.472 8.290 0.182 18179 673 1 2 . 1 1 30 30 SER N N 65 117.933 117.933 116.184 1.749 18179 674 1 2 . 1 1 30 30 SER HA H 65 4.160 4.160 4.100 0.060 18179 675 1 2 . 1 1 30 30 SER C C 65 176.518 176.518 176.229 0.289 18179 676 1 2 . 1 1 30 30 SER CA C 65 61.706 61.706 62.322 -0.616 18179 677 1 2 . 1 1 30 30 SER CB C 65 64.022 64.022 62.576 1.446 18179 678 1 2 . 1 1 30 30 SER H H 65 8.500 8.500 8.625 -0.125 18179 679 1 2 . 1 1 31 31 LYS N N 66 117.248 117.248 121.492 -4.244 18179 680 1 2 . 1 1 31 31 LYS HA H 66 4.301 4.301 4.274 0.027 18179 681 1 2 . 1 1 31 31 LYS C C 66 179.721 179.721 178.436 1.285 18179 682 1 2 . 1 1 31 31 LYS CA C 66 59.165 59.165 58.820 0.345 18179 683 1 2 . 1 1 31 31 LYS CB C 66 32.372 32.372 32.202 0.170 18179 684 1 2 . 1 1 31 31 LYS H H 66 8.020 8.020 7.605 0.415 18179 685 1 2 . 1 1 32 32 THR N N 67 109.772 109.772 108.088 1.684 18179 686 1 2 . 1 1 32 32 THR HA H 67 3.883 3.883 4.297 -0.414 18179 687 1 2 . 1 1 32 32 THR C C 67 176.237 176.237 175.447 0.790 18179 688 1 2 . 1 1 32 32 THR CA C 67 64.813 64.813 63.268 1.545 18179 689 1 2 . 1 1 32 32 THR CB C 67 69.445 69.445 68.576 0.869 18179 690 1 2 . 1 1 32 32 THR H H 67 7.844 7.844 7.363 0.481 18179 691 1 2 . 1 1 33 33 SER N N 68 115.610 115.610 117.509 -1.899 18179 692 1 2 . 1 1 33 33 SER HA H 68 4.369 4.369 4.388 -0.019 18179 693 1 2 . 1 1 33 33 SER C C 68 174.628 174.628 174.765 -0.137 18179 694 1 2 . 1 1 33 33 SER CA C 68 59.242 59.242 59.565 -0.323 18179 695 1 2 . 1 1 33 33 SER CB C 68 65.166 65.166 63.934 1.232 18179 696 1 2 . 1 1 33 33 SER H H 68 8.047 8.047 7.675 0.372 18179 697 1 2 . 1 1 34 34 ASN N N 69 110.215 110.215 114.693 -4.478 18179 698 1 2 . 1 1 34 34 ASN HA H 69 4.181 4.181 4.367 -0.186 18179 699 1 2 . 1 1 34 34 ASN C C 69 173.253 173.253 173.804 -0.551 18179 700 1 2 . 1 1 34 34 ASN CA C 69 54.302 54.302 54.382 -0.080 18179 701 1 2 . 1 1 34 34 ASN CB C 69 38.506 38.506 37.607 0.899 18179 702 1 2 . 1 1 34 34 ASN H H 69 8.061 8.061 7.980 0.081 18179 703 1 2 . 1 1 35 35 LYS N N 70 117.312 117.312 117.567 -0.255 18179 704 1 2 . 1 1 35 35 LYS HA H 70 4.676 4.676 4.887 -0.211 18179 705 1 2 . 1 1 35 35 LYS CA C 70 53.385 53.385 53.580 -0.195 18179 706 1 2 . 1 1 35 35 LYS CB C 70 34.049 34.049 33.631 0.418 18179 707 1 2 . 1 1 35 35 LYS H H 70 7.589 7.589 7.465 0.124 18179 708 1 2 . 1 1 36 36 PRO HA H 71 4.371 4.371 4.274 0.097 18179 709 1 2 . 1 1 36 36 PRO C C 71 172.189 172.189 175.730 -3.541 18179 710 1 2 . 1 1 36 36 PRO CA C 71 62.356 62.356 63.386 -1.030 18179 711 1 2 . 1 1 36 36 PRO CB C 71 31.785 31.785 32.260 -0.474 18179 712 1 2 . 1 1 37 37 LEU N N 72 122.894 122.894 123.194 -0.300 18179 713 1 2 . 1 1 37 37 LEU HA H 72 5.392 5.392 4.759 0.633 18179 714 1 2 . 1 1 37 37 LEU C C 72 174.422 174.422 174.880 -0.458 18179 715 1 2 . 1 1 37 37 LEU CA C 72 52.656 52.656 53.664 -1.008 18179 716 1 2 . 1 1 37 37 LEU CB C 72 45.220 45.220 43.834 1.386 18179 717 1 2 . 1 1 37 37 LEU H H 72 8.936 8.936 7.903 1.033 18179 718 1 2 . 1 1 38 38 MET N N 73 128.922 128.922 125.225 3.697 18179 719 1 2 . 1 1 38 38 MET C C 73 172.488 172.488 174.966 -2.478 18179 720 1 2 . 1 1 38 38 MET CA C 73 54.806 54.806 54.346 0.460 18179 721 1 2 . 1 1 38 38 MET CB C 73 35.127 35.127 35.888 -0.761 18179 722 1 2 . 1 1 38 38 MET H H 73 8.965 8.965 8.284 0.681 18179 723 1 2 . 1 1 39 39 ILE N N 74 124.016 124.016 124.188 -0.172 18179 724 1 2 . 1 1 39 39 ILE HA H 74 4.819 4.819 4.436 0.383 18179 725 1 2 . 1 1 39 39 ILE C C 74 175.018 175.018 173.988 1.030 18179 726 1 2 . 1 1 39 39 ILE CA C 74 59.688 59.688 61.089 -1.401 18179 727 1 2 . 1 1 39 39 ILE CB C 74 40.407 40.407 38.158 2.249 18179 728 1 2 . 1 1 39 39 ILE H H 74 8.727 8.727 8.131 0.596 18179 729 1 2 . 1 1 40 40 ILE N N 75 126.837 126.837 127.134 -0.297 18179 730 1 2 . 1 1 40 40 ILE HA H 75 4.038 4.038 4.875 -0.837 18179 731 1 2 . 1 1 40 40 ILE C C 75 175.282 175.282 174.605 0.677 18179 732 1 2 . 1 1 40 40 ILE CA C 75 60.408 60.408 60.433 -0.025 18179 733 1 2 . 1 1 40 40 ILE CB C 75 40.028 40.028 39.795 0.233 18179 734 1 2 . 1 1 40 40 ILE H H 75 8.587 8.587 8.896 -0.309 18179 735 1 2 . 1 1 41 41 HIS N N 76 128.633 128.633 123.754 4.879 18179 736 1 2 . 1 1 41 41 HIS CA C 76 56.453 56.453 54.323 2.130 18179 737 1 2 . 1 1 41 41 HIS CB C 76 29.368 29.368 32.564 -3.196 18179 738 1 2 . 1 1 41 41 HIS H H 76 9.145 9.145 8.780 0.365 18179 739 1 2 . 1 1 42 42 HIS HA H 77 4.822 4.822 4.784 0.038 18179 740 1 2 . 1 1 42 42 HIS C C 77 170.942 170.942 174.257 -3.315 18179 741 1 2 . 1 1 42 42 HIS CA C 77 54.441 54.441 54.364 0.077 18179 742 1 2 . 1 1 42 42 HIS CB C 77 34.768 34.768 32.818 1.950 18179 743 1 2 . 1 1 43 43 LEU N N 78 114.526 114.526 121.770 -7.244 18179 744 1 2 . 1 1 43 43 LEU HA H 78 4.540 4.540 4.435 0.105 18179 745 1 2 . 1 1 43 43 LEU C C 78 177.855 177.855 176.772 1.083 18179 746 1 2 . 1 1 43 43 LEU CA C 78 54.020 54.020 54.591 -0.571 18179 747 1 2 . 1 1 43 43 LEU CB C 78 46.643 46.643 43.702 2.942 18179 748 1 2 . 1 1 43 43 LEU H H 78 7.077 7.077 7.871 -0.794 18179 749 1 2 . 1 1 44 44 ASP N N 79 123.675 123.675 123.495 0.180 18179 750 1 2 . 1 1 44 44 ASP HA H 79 4.452 4.452 4.387 0.065 18179 751 1 2 . 1 1 44 44 ASP C C 79 177.872 177.872 176.446 1.426 18179 752 1 2 . 1 1 44 44 ASP CA C 79 57.458 57.458 56.004 1.454 18179 753 1 2 . 1 1 44 44 ASP CB C 79 40.739 40.739 40.765 -0.026 18179 754 1 2 . 1 1 44 44 ASP H H 79 8.783 8.783 8.279 0.504 18179 755 1 2 . 1 1 45 45 GLU N N 80 115.578 115.578 117.156 -1.578 18179 756 1 2 . 1 1 45 45 GLU HA H 80 4.156 4.156 4.130 0.026 18179 757 1 2 . 1 1 45 45 GLU C C 80 175.108 175.108 175.998 -0.890 18179 758 1 2 . 1 1 45 45 GLU CA C 80 56.661 56.661 57.799 -1.138 18179 759 1 2 . 1 1 45 45 GLU CB C 80 28.604 28.604 29.384 -0.780 18179 760 1 2 . 1 1 45 45 GLU H H 80 9.146 9.146 8.296 0.850 18179 761 1 2 . 1 1 46 46 CYS N N 81 125.642 125.642 117.592 8.050 18179 762 1 2 . 1 1 46 46 CYS HA H 81 4.814 4.814 4.657 0.157 18179 763 1 2 . 1 1 46 46 CYS C C 81 175.453 175.453 172.868 2.585 18179 764 1 2 . 1 1 46 46 CYS CA C 81 56.298 56.298 55.709 0.589 18179 765 1 2 . 1 1 46 46 CYS CB C 81 30.378 30.378 27.237 3.141 18179 766 1 2 . 1 1 46 46 CYS H H 81 7.146 7.146 7.023 0.123 18179 767 1 2 . 1 1 47 47 PRO HA H 82 4.311 4.311 4.225 0.086 18179 768 1 2 . 1 1 47 47 PRO CA C 82 64.536 64.536 63.718 0.818 18179 769 1 2 . 1 1 47 47 PRO CB C 82 32.069 32.069 31.797 0.272 18179 770 1 2 . 1 1 48 48 HIS N N 83 124.416 124.416 121.790 2.626 18179 771 1 2 . 1 1 48 48 HIS HA H 83 4.511 4.511 4.498 0.013 18179 772 1 2 . 1 1 48 48 HIS C C 83 178.820 178.820 177.030 1.790 18179 773 1 2 . 1 1 48 48 HIS CA C 83 59.042 59.042 57.113 1.929 18179 774 1 2 . 1 1 48 48 HIS CB C 83 28.921 28.921 30.172 -1.251 18179 775 1 2 . 1 1 48 48 HIS H H 83 8.936 8.936 8.371 0.565 18179 776 1 2 . 1 1 49 49 SER N N 84 129.973 129.973 118.613 11.360 18179 777 1 2 . 1 1 49 49 SER HA H 84 4.152 4.152 3.988 0.164 18179 778 1 2 . 1 1 49 49 SER C C 84 175.397 175.397 175.714 -0.317 18179 779 1 2 . 1 1 49 49 SER CA C 84 63.873 63.873 61.778 2.095 18179 780 1 2 . 1 1 49 49 SER CB C 84 65.516 65.516 63.066 2.450 18179 781 1 2 . 1 1 49 49 SER H H 84 11.408 11.408 9.057 2.351 18179 782 1 2 . 1 1 50 50 GLN N N 85 118.214 118.214 119.933 -1.719 18179 783 1 2 . 1 1 50 50 GLN HA H 85 3.701 3.701 4.066 -0.365 18179 784 1 2 . 1 1 50 50 GLN C C 85 178.213 178.213 177.739 0.474 18179 785 1 2 . 1 1 50 50 GLN CA C 85 58.201 58.201 58.429 -0.228 18179 786 1 2 . 1 1 50 50 GLN CB C 85 27.294 27.294 27.927 -0.633 18179 787 1 2 . 1 1 50 50 GLN H H 85 8.192 8.192 8.050 0.142 18179 788 1 2 . 1 1 51 51 ALA N N 86 121.790 121.790 122.922 -1.132 18179 789 1 2 . 1 1 51 51 ALA HA H 86 4.099 4.099 4.040 0.059 18179 790 1 2 . 1 1 51 51 ALA C C 86 180.512 180.512 179.398 1.114 18179 791 1 2 . 1 1 51 51 ALA CA C 86 54.742 54.742 54.718 0.024 18179 792 1 2 . 1 1 51 51 ALA CB C 86 18.559 18.559 18.156 0.403 18179 793 1 2 . 1 1 51 51 ALA H H 86 7.748 7.748 8.056 -0.308 18179 794 1 2 . 1 1 52 52 LEU N N 87 118.528 118.528 118.294 0.234 18179 795 1 2 . 1 1 52 52 LEU HA H 87 4.076 4.076 3.847 0.229 18179 796 1 2 . 1 1 52 52 LEU CA C 87 57.266 57.266 56.637 0.629 18179 797 1 2 . 1 1 52 52 LEU CB C 87 41.947 41.947 41.602 0.344 18179 798 1 2 . 1 1 52 52 LEU H H 87 7.918 7.918 7.446 0.472 18179 799 1 2 . 1 1 53 53 LYS N N 88 120.398 120.398 119.594 0.804 18179 800 1 2 . 1 1 53 53 LYS H H 88 7.932 7.932 7.696 0.236 18179 801 1 2 . 1 1 54 54 LYS N N 89 115.219 115.219 119.500 -4.281 18179 802 1 2 . 1 1 54 54 LYS HA H 89 3.790 3.790 4.053 -0.263 18179 803 1 2 . 1 1 54 54 LYS C C 89 178.614 178.614 179.100 -0.486 18179 804 1 2 . 1 1 54 54 LYS CA C 89 59.308 59.308 58.994 0.314 18179 805 1 2 . 1 1 54 54 LYS CB C 89 32.530 32.530 32.061 0.469 18179 806 1 2 . 1 1 54 54 LYS H H 89 6.889 6.889 7.829 -0.940 18179 807 1 2 . 1 1 55 55 VAL N N 90 110.991 110.991 116.440 -5.449 18179 808 1 2 . 1 1 55 55 VAL HA H 90 4.049 4.049 3.756 0.293 18179 809 1 2 . 1 1 55 55 VAL C C 90 178.054 178.054 177.004 1.050 18179 810 1 2 . 1 1 55 55 VAL CA C 90 64.467 64.467 65.251 -0.784 18179 811 1 2 . 1 1 55 55 VAL CB C 90 31.625 31.625 31.331 0.294 18179 812 1 2 . 1 1 55 55 VAL H H 90 6.748 6.748 7.442 -0.694 18179 813 1 2 . 1 1 56 56 PHE N N 91 124.010 124.010 116.756 7.254 18179 814 1 2 . 1 1 56 56 PHE HA H 91 3.829 3.829 4.289 -0.460 18179 815 1 2 . 1 1 56 56 PHE C C 91 177.496 177.496 177.905 -0.409 18179 816 1 2 . 1 1 56 56 PHE CA C 91 61.854 61.854 58.948 2.906 18179 817 1 2 . 1 1 56 56 PHE CB C 91 41.828 41.828 38.139 3.689 18179 818 1 2 . 1 1 56 56 PHE H H 91 8.722 8.722 7.075 1.647 18179 819 1 2 . 1 1 57 57 ALA N N 92 118.444 118.444 119.573 -1.129 18179 820 1 2 . 1 1 57 57 ALA HA H 92 4.185 4.185 4.301 -0.116 18179 821 1 2 . 1 1 57 57 ALA C C 92 180.660 180.660 178.107 2.553 18179 822 1 2 . 1 1 57 57 ALA CA C 92 54.288 54.288 53.375 0.913 18179 823 1 2 . 1 1 57 57 ALA CB C 92 18.487 18.487 18.815 -0.328 18179 824 1 2 . 1 1 57 57 ALA H H 92 8.695 8.695 7.543 1.152 18179 825 1 2 . 1 1 58 58 GLU N N 93 112.263 112.263 117.712 -5.449 18179 826 1 2 . 1 1 58 58 GLU HA H 93 4.156 4.156 4.400 -0.244 18179 827 1 2 . 1 1 58 58 GLU C C 93 175.641 175.641 175.161 0.480 18179 828 1 2 . 1 1 58 58 GLU CA C 93 55.883 55.883 55.489 0.394 18179 829 1 2 . 1 1 58 58 GLU CB C 93 30.495 30.495 29.994 0.501 18179 830 1 2 . 1 1 58 58 GLU H H 93 7.108 7.108 7.701 -0.593 18179 831 1 2 . 1 1 59 59 ASN N N 94 120.422 120.422 118.908 1.514 18179 832 1 2 . 1 1 59 59 ASN HA H 94 4.590 4.590 4.865 -0.275 18179 833 1 2 . 1 1 59 59 ASN C C 94 174.151 174.151 175.447 -1.296 18179 834 1 2 . 1 1 59 59 ASN CA C 94 54.056 54.056 52.256 1.800 18179 835 1 2 . 1 1 59 59 ASN CB C 94 38.723 38.723 40.198 -1.475 18179 836 1 2 . 1 1 59 59 ASN H H 94 7.269 7.269 7.470 -0.201 18179 837 1 2 . 1 1 60 60 LYS N N 95 127.497 127.497 127.163 0.334 18179 838 1 2 . 1 1 60 60 LYS HA H 95 3.770 3.770 4.287 -0.517 18179 839 1 2 . 1 1 60 60 LYS C C 95 178.959 178.959 178.082 0.877 18179 840 1 2 . 1 1 60 60 LYS CA C 95 59.337 59.337 58.650 0.687 18179 841 1 2 . 1 1 60 60 LYS CB C 95 32.170 32.170 32.114 0.056 18179 842 1 2 . 1 1 60 60 LYS H H 95 8.672 8.672 8.936 -0.264 18179 843 1 2 . 1 1 61 61 GLU N N 96 119.409 119.409 119.815 -0.406 18179 844 1 2 . 1 1 61 61 GLU HA H 96 3.984 3.984 4.179 -0.195 18179 845 1 2 . 1 1 61 61 GLU C C 96 179.574 179.574 178.542 1.032 18179 846 1 2 . 1 1 61 61 GLU CA C 96 59.955 59.955 58.469 1.486 18179 847 1 2 . 1 1 61 61 GLU CB C 96 29.246 29.246 29.132 0.114 18179 848 1 2 . 1 1 61 61 GLU H H 96 7.988 7.988 7.711 0.277 18179 849 1 2 . 1 1 62 62 ILE N N 97 122.621 122.621 122.260 0.361 18179 850 1 2 . 1 1 62 62 ILE HA H 97 3.224 3.224 3.700 -0.476 18179 851 1 2 . 1 1 62 62 ILE C C 97 177.158 177.158 178.130 -0.972 18179 852 1 2 . 1 1 62 62 ILE CA C 97 65.787 65.787 65.393 0.394 18179 853 1 2 . 1 1 62 62 ILE CB C 97 37.710 37.710 37.785 -0.075 18179 854 1 2 . 1 1 62 62 ILE H H 97 8.484 8.484 9.239 -0.755 18179 855 1 2 . 1 1 63 63 GLN N N 98 115.619 115.619 119.484 -3.865 18179 856 1 2 . 1 1 63 63 GLN HA H 98 3.481 3.481 3.910 -0.429 18179 857 1 2 . 1 1 63 63 GLN C C 98 178.097 178.097 177.995 0.102 18179 858 1 2 . 1 1 63 63 GLN CA C 98 58.601 58.601 59.447 -0.846 18179 859 1 2 . 1 1 63 63 GLN CB C 98 28.834 28.834 28.613 0.220 18179 860 1 2 . 1 1 63 63 GLN H H 98 8.046 8.046 8.451 -0.405 18179 861 1 2 . 1 1 64 64 LYS N N 99 116.464 116.464 119.340 -2.876 18179 862 1 2 . 1 1 64 64 LYS HA H 99 4.125 4.125 4.068 0.057 18179 863 1 2 . 1 1 64 64 LYS C C 99 179.740 179.740 179.150 0.590 18179 864 1 2 . 1 1 64 64 LYS CA C 99 57.955 57.955 57.995 -0.040 18179 865 1 2 . 1 1 64 64 LYS CB C 99 32.054 32.054 31.860 0.194 18179 866 1 2 . 1 1 64 64 LYS H H 99 7.578 7.578 7.279 0.299 18179 867 1 2 . 1 1 65 65 LEU N N 100 122.576 122.576 120.889 1.687 18179 868 1 2 . 1 1 65 65 LEU HA H 100 4.128 4.128 4.128 0.000 18179 869 1 2 . 1 1 65 65 LEU C C 100 178.481 178.481 177.696 0.785 18179 870 1 2 . 1 1 65 65 LEU CA C 100 57.044 57.044 56.916 0.128 18179 871 1 2 . 1 1 65 65 LEU CB C 100 41.883 41.883 42.023 -0.140 18179 872 1 2 . 1 1 65 65 LEU H H 100 7.916 7.916 7.910 0.006 18179 873 1 2 . 1 1 66 66 ALA N N 101 119.534 119.534 119.411 0.123 18179 874 1 2 . 1 1 66 66 ALA HA H 101 3.810 3.810 2.179 1.631 18179 875 1 2 . 1 1 66 66 ALA C C 101 177.520 177.520 177.255 0.265 18179 876 1 2 . 1 1 66 66 ALA CA C 101 54.772 54.772 53.578 1.194 18179 877 1 2 . 1 1 66 66 ALA CB C 101 17.737 17.737 18.360 -0.623 18179 878 1 2 . 1 1 66 66 ALA H H 101 8.511 8.511 8.008 0.503 18179 879 1 2 . 1 1 67 67 GLU N N 102 113.081 113.081 115.812 -2.731 18179 880 1 2 . 1 1 67 67 GLU HA H 102 4.113 4.113 3.965 0.148 18179 881 1 2 . 1 1 67 67 GLU C C 102 178.295 178.295 177.184 1.111 18179 882 1 2 . 1 1 67 67 GLU CA C 102 58.285 58.285 57.962 0.323 18179 883 1 2 . 1 1 67 67 GLU CB C 102 29.952 29.952 29.042 0.910 18179 884 1 2 . 1 1 67 67 GLU H H 102 7.039 7.039 7.379 -0.340 18179 885 1 2 . 1 1 68 68 GLN N N 103 116.244 116.244 118.248 -2.004 18179 886 1 2 . 1 1 68 68 GLN HA H 103 4.107 4.107 4.309 -0.202 18179 887 1 2 . 1 1 68 68 GLN C C 103 173.173 173.173 176.088 -2.915 18179 888 1 2 . 1 1 68 68 GLN CA C 103 56.094 56.094 56.922 -0.827 18179 889 1 2 . 1 1 68 68 GLN CB C 103 28.703 28.703 30.718 -2.015 18179 890 1 2 . 1 1 68 68 GLN H H 103 8.167 8.167 7.301 0.866 18179 891 1 2 . 1 1 69 69 PHE N N 104 116.822 116.822 115.458 1.364 18179 892 1 2 . 1 1 69 69 PHE HA H 104 4.645 4.645 4.867 -0.222 18179 893 1 2 . 1 1 69 69 PHE C C 104 177.346 177.346 174.791 2.555 18179 894 1 2 . 1 1 69 69 PHE CA C 104 57.254 57.254 55.245 2.009 18179 895 1 2 . 1 1 69 69 PHE CB C 104 40.897 40.897 40.187 0.710 18179 896 1 2 . 1 1 69 69 PHE H H 104 7.633 7.633 7.142 0.491 18179 897 1 2 . 1 1 70 70 VAL N N 105 120.799 120.799 120.764 0.035 18179 898 1 2 . 1 1 70 70 VAL HA H 105 3.867 3.867 4.457 -0.590 18179 899 1 2 . 1 1 70 70 VAL C C 105 174.191 174.191 175.595 -1.404 18179 900 1 2 . 1 1 70 70 VAL CA C 105 63.450 63.450 61.484 1.966 18179 901 1 2 . 1 1 70 70 VAL CB C 105 31.566 31.566 32.341 -0.775 18179 902 1 2 . 1 1 70 70 VAL H H 105 8.943 8.943 8.514 0.429 18179 903 1 2 . 1 1 71 71 LEU N N 106 129.105 129.105 126.883 2.222 18179 904 1 2 . 1 1 71 71 LEU HA H 106 4.850 4.850 4.666 0.184 18179 905 1 2 . 1 1 71 71 LEU CA C 106 53.854 53.854 53.525 0.329 18179 906 1 2 . 1 1 71 71 LEU CB C 106 44.478 44.478 42.840 1.639 18179 907 1 2 . 1 1 71 71 LEU H H 106 8.432 8.432 8.660 -0.228 18179 908 1 2 . 1 1 72 72 LEU N N 107 123.682 123.682 126.566 -2.884 18179 909 1 2 . 1 1 72 72 LEU H H 107 8.298 8.298 8.362 -0.064 18179 910 1 2 . 1 1 73 73 ASN N N 108 125.520 125.520 121.795 3.725 18179 911 1 2 . 1 1 73 73 ASN CA C 108 51.631 51.631 53.540 -1.909 18179 912 1 2 . 1 1 73 73 ASN CB C 108 41.484 41.484 38.889 2.595 18179 913 1 2 . 1 1 73 73 ASN H H 108 9.761 9.761 8.375 1.386 18179 914 1 2 . 1 1 74 74 LEU N N 109 122.070 122.070 124.217 -2.147 18179 915 1 2 . 1 1 74 74 LEU H H 109 8.563 8.563 8.126 0.437 18179 916 1 2 . 1 1 75 75 VAL HA H 110 5.100 5.100 3.731 1.369 18179 917 1 2 . 1 1 75 75 VAL CA C 110 59.157 59.157 62.579 -3.422 18179 918 1 2 . 1 1 76 76 TYR N N 111 120.641 120.641 123.760 -3.119 18179 919 1 2 . 1 1 76 76 TYR HA H 111 4.569 4.569 4.263 0.306 18179 920 1 2 . 1 1 76 76 TYR C C 111 175.393 175.393 175.742 -0.349 18179 921 1 2 . 1 1 76 76 TYR CA C 111 57.736 57.736 57.934 -0.198 18179 922 1 2 . 1 1 76 76 TYR CB C 111 39.426 39.426 36.750 2.676 18179 923 1 2 . 1 1 76 76 TYR H H 111 8.255 8.255 7.991 0.264 18179 924 1 2 . 1 1 79 79 THR HA H 114 4.180 4.180 4.962 -0.782 18179 925 1 2 . 1 1 79 79 THR CA C 114 61.295 61.295 61.775 -0.480 18179 926 1 2 . 1 1 79 79 THR CB C 114 68.683 68.683 71.900 -3.217 18179 927 1 2 . 1 1 80 80 ASP N N 115 121.026 121.026 125.874 -4.848 18179 928 1 2 . 1 1 80 80 ASP C C 115 177.959 177.959 177.274 0.685 18179 929 1 2 . 1 1 80 80 ASP CA C 115 53.276 53.276 54.125 -0.849 18179 930 1 2 . 1 1 80 80 ASP H H 115 7.746 7.746 8.640 -0.894 18179 931 1 2 . 1 1 81 81 LYS N N 116 129.056 129.056 126.621 2.435 18179 932 1 2 . 1 1 81 81 LYS HA H 116 3.828 3.828 4.095 -0.267 18179 933 1 2 . 1 1 81 81 LYS C C 116 179.118 179.118 177.243 1.875 18179 934 1 2 . 1 1 81 81 LYS CA C 116 57.957 57.957 58.298 -0.341 18179 935 1 2 . 1 1 81 81 LYS CB C 116 31.273 31.273 32.619 -1.346 18179 936 1 2 . 1 1 81 81 LYS H H 116 8.873 8.873 8.713 0.161 18179 937 1 2 . 1 1 82 82 HIS N N 117 116.887 116.887 118.401 -1.514 18179 938 1 2 . 1 1 82 82 HIS HA H 117 4.290 4.290 4.425 -0.135 18179 939 1 2 . 1 1 82 82 HIS C C 117 175.622 175.622 176.857 -1.235 18179 940 1 2 . 1 1 82 82 HIS CA C 117 57.865 57.865 57.934 -0.068 18179 941 1 2 . 1 1 82 82 HIS CB C 117 27.704 27.704 31.132 -3.428 18179 942 1 2 . 1 1 82 82 HIS H H 117 8.707 8.707 8.014 0.693 18179 943 1 2 . 1 1 83 83 LEU N N 118 113.733 113.733 119.700 -5.967 18179 944 1 2 . 1 1 83 83 LEU HA H 118 4.290 4.290 4.166 0.124 18179 945 1 2 . 1 1 83 83 LEU C C 118 175.949 175.949 176.221 -0.272 18179 946 1 2 . 1 1 83 83 LEU CA C 118 53.982 53.982 56.623 -2.640 18179 947 1 2 . 1 1 83 83 LEU CB C 118 41.734 41.734 42.826 -1.092 18179 948 1 2 . 1 1 83 83 LEU H H 118 7.332 7.332 8.857 -1.525 18179 949 1 2 . 1 1 84 84 SER N N 119 111.979 111.979 109.556 2.423 18179 950 1 2 . 1 1 84 84 SER HA H 119 4.632 4.632 4.759 -0.127 18179 951 1 2 . 1 1 84 84 SER C C 119 173.830 173.830 172.916 0.914 18179 952 1 2 . 1 1 84 84 SER CA C 119 55.581 55.581 56.829 -1.248 18179 953 1 2 . 1 1 84 84 SER CB C 119 62.367 62.367 63.115 -0.748 18179 954 1 2 . 1 1 84 84 SER H H 119 7.268 7.268 7.977 -0.709 18179 955 1 2 . 1 1 85 85 PRO HA H 120 4.384 4.384 4.478 -0.094 18179 956 1 2 . 1 1 85 85 PRO C C 120 177.881 177.881 176.281 1.600 18179 957 1 2 . 1 1 85 85 PRO CA C 120 65.292 65.292 64.471 0.821 18179 958 1 2 . 1 1 85 85 PRO CB C 120 31.942 31.942 31.940 0.002 18179 959 1 2 . 1 1 86 86 ASP N N 121 117.614 117.614 117.074 0.540 18179 960 1 2 . 1 1 86 86 ASP HA H 121 4.960 4.960 4.555 0.405 18179 961 1 2 . 1 1 86 86 ASP C C 121 174.734 174.734 176.680 -1.946 18179 962 1 2 . 1 1 86 86 ASP CA C 121 51.999 51.999 53.589 -1.590 18179 963 1 2 . 1 1 86 86 ASP CB C 121 40.327 40.327 39.898 0.429 18179 964 1 2 . 1 1 86 86 ASP H H 121 8.882 8.882 8.105 0.777 18179 965 1 2 . 1 1 87 87 GLY N N 122 106.815 106.815 108.823 -2.008 18179 966 1 2 . 1 1 87 87 GLY C C 122 173.401 173.401 174.067 -0.666 18179 967 1 2 . 1 1 87 87 GLY CA C 122 43.814 43.814 45.415 -1.601 18179 968 1 2 . 1 1 87 87 GLY H H 122 6.973 6.973 7.410 -0.437 18179 969 1 2 . 1 1 88 88 GLN N N 123 118.319 118.319 124.865 -6.546 18179 970 1 2 . 1 1 88 88 GLN HA H 123 3.984 3.984 4.305 -0.321 18179 971 1 2 . 1 1 88 88 GLN C C 123 174.141 174.141 175.404 -1.263 18179 972 1 2 . 1 1 88 88 GLN CA C 123 54.717 54.717 54.925 -0.208 18179 973 1 2 . 1 1 88 88 GLN CB C 123 27.267 27.267 29.554 -2.287 18179 974 1 2 . 1 1 88 88 GLN H H 123 8.224 8.224 8.041 0.183 18179 975 1 2 . 1 1 89 89 TYR N N 124 117.220 117.220 118.782 -1.562 18179 976 1 2 . 1 1 89 89 TYR HA H 124 4.596 4.596 4.342 0.254 18179 977 1 2 . 1 1 89 89 TYR C C 124 173.402 173.402 176.145 -2.743 18179 978 1 2 . 1 1 89 89 TYR CA C 124 54.672 54.672 57.741 -3.069 18179 979 1 2 . 1 1 89 89 TYR CB C 124 38.970 38.970 38.616 0.354 18179 980 1 2 . 1 1 89 89 TYR H H 124 5.954 5.954 7.506 -1.552 18179 981 1 2 . 1 1 90 90 VAL N N 125 109.249 109.249 116.033 -6.784 18179 982 1 2 . 1 1 90 90 VAL HA H 125 4.572 4.572 4.367 0.205 18179 983 1 2 . 1 1 90 90 VAL C C 125 173.254 173.254 175.167 -1.913 18179 984 1 2 . 1 1 90 90 VAL CA C 125 57.982 57.982 59.733 -1.750 18179 985 1 2 . 1 1 90 90 VAL CB C 125 35.376 35.376 31.372 4.005 18179 986 1 2 . 1 1 90 90 VAL H H 125 8.303 8.303 8.215 0.088 18179 987 1 2 . 1 1 92 92 ARG HA H 127 5.178 5.178 4.478 0.700 18179 988 1 2 . 1 1 92 92 ARG CA C 127 55.689 55.689 56.167 -0.478 18179 989 1 2 . 1 1 93 93 ILE N N 128 127.696 127.696 125.375 2.321 18179 990 1 2 . 1 1 93 93 ILE HA H 128 5.088 5.088 4.529 0.559 18179 991 1 2 . 1 1 93 93 ILE CA C 128 61.063 61.063 60.543 0.520 18179 992 1 2 . 1 1 93 93 ILE CB C 128 39.101 39.101 37.173 1.927 18179 993 1 2 . 1 1 93 93 ILE H H 128 9.099 9.099 8.788 0.311 18179 994 1 2 . 1 1 94 94 MET N N 129 122.683 122.683 122.621 0.062 18179 995 1 2 . 1 1 94 94 MET C C 129 174.006 174.006 174.527 -0.521 18179 996 1 2 . 1 1 94 94 MET CA C 129 51.503 51.503 53.975 -2.472 18179 997 1 2 . 1 1 94 94 MET CB C 129 34.764 34.764 35.323 -0.559 18179 998 1 2 . 1 1 94 94 MET H H 129 8.496 8.496 8.372 0.124 18179 999 1 2 . 1 1 95 95 PHE N N 130 118.014 118.014 115.433 2.581 18179 1000 1 2 . 1 1 95 95 PHE HA H 130 5.589 5.589 4.756 0.833 18179 1001 1 2 . 1 1 95 95 PHE C C 130 174.811 174.811 173.729 1.082 18179 1002 1 2 . 1 1 95 95 PHE CA C 130 56.432 56.432 56.586 -0.154 18179 1003 1 2 . 1 1 95 95 PHE CB C 130 41.941 41.941 39.746 2.195 18179 1004 1 2 . 1 1 95 95 PHE H H 130 8.573 8.573 7.627 0.946 18179 1005 1 2 . 1 1 96 96 VAL N N 131 122.847 122.847 117.353 5.494 18179 1006 1 2 . 1 1 96 96 VAL HA H 131 4.337 4.337 4.468 -0.131 18179 1007 1 2 . 1 1 96 96 VAL C C 131 174.303 174.303 174.231 0.072 18179 1008 1 2 . 1 1 96 96 VAL CA C 131 61.405 61.405 58.949 2.456 18179 1009 1 2 . 1 1 96 96 VAL CB C 131 34.679 34.679 35.372 -0.693 18179 1010 1 2 . 1 1 96 96 VAL H H 131 9.855 9.855 8.222 1.633 18179 1011 1 2 . 1 1 97 97 ASP N N 132 128.042 128.042 118.851 9.191 18179 1012 1 2 . 1 1 97 97 ASP HA H 132 4.883 4.883 4.902 -0.019 18179 1013 1 2 . 1 1 97 97 ASP C C 132 174.958 174.958 175.757 -0.799 18179 1014 1 2 . 1 1 97 97 ASP CA C 132 53.082 53.082 51.213 1.869 18179 1015 1 2 . 1 1 97 97 ASP CB C 132 45.484 45.484 42.845 2.639 18179 1016 1 2 . 1 1 97 97 ASP H H 132 8.399 8.399 8.468 -0.069 18179 1017 1 2 . 1 1 98 98 PRO HA H 133 4.566 4.566 4.273 0.293 18179 1018 1 2 . 1 1 98 98 PRO C C 133 175.650 175.650 177.356 -1.706 18179 1019 1 2 . 1 1 98 98 PRO CA C 133 65.207 65.207 64.545 0.662 18179 1020 1 2 . 1 1 98 98 PRO CB C 133 31.858 31.858 32.073 -0.215 18179 1021 1 2 . 1 1 99 99 SER N N 134 111.171 111.171 112.844 -1.673 18179 1022 1 2 . 1 1 99 99 SER HA H 134 4.122 4.122 4.285 -0.163 18179 1023 1 2 . 1 1 99 99 SER C C 134 175.303 175.303 174.500 0.803 18179 1024 1 2 . 1 1 99 99 SER CA C 134 60.237 60.237 59.101 1.136 18179 1025 1 2 . 1 1 99 99 SER CB C 134 64.471 64.471 63.419 1.052 18179 1026 1 2 . 1 1 99 99 SER H H 134 8.154 8.154 8.770 -0.616 18179 1027 1 2 . 1 1 100 100 LEU N N 135 118.112 118.112 121.495 -3.383 18179 1028 1 2 . 1 1 100 100 LEU HA H 135 3.683 3.683 4.107 -0.424 18179 1029 1 2 . 1 1 100 100 LEU C C 135 175.886 175.886 175.883 0.003 18179 1030 1 2 . 1 1 100 100 LEU CA C 135 56.548 56.548 55.524 1.024 18179 1031 1 2 . 1 1 100 100 LEU CB C 135 36.922 36.922 40.417 -3.495 18179 1032 1 2 . 1 1 100 100 LEU H H 135 9.194 9.194 7.716 1.478 18179 1033 1 2 . 1 1 101 101 THR N N 136 116.048 116.048 110.523 5.525 18179 1034 1 2 . 1 1 101 101 THR HA H 136 4.191 4.191 4.014 0.177 18179 1035 1 2 . 1 1 101 101 THR C C 136 173.771 173.771 173.188 0.583 18179 1036 1 2 . 1 1 101 101 THR CA C 136 62.123 62.123 62.791 -0.668 18179 1037 1 2 . 1 1 101 101 THR CB C 136 70.407 70.407 69.115 1.292 18179 1038 1 2 . 1 1 101 101 THR H H 136 7.022 7.022 7.921 -0.899 18179 1039 1 2 . 1 1 102 102 VAL N N 137 129.098 129.098 116.270 12.828 18179 1040 1 2 . 1 1 102 102 VAL HA H 137 3.874 3.874 4.414 -0.540 18179 1041 1 2 . 1 1 102 102 VAL C C 137 177.079 177.079 175.733 1.346 18179 1042 1 2 . 1 1 102 102 VAL CA C 137 64.163 64.163 59.083 5.080 18179 1043 1 2 . 1 1 102 102 VAL CB C 137 31.858 31.858 34.963 -3.105 18179 1044 1 2 . 1 1 102 102 VAL H H 137 9.039 9.039 7.757 1.282 18179 1045 1 2 . 1 1 103 103 ARG N N 138 128.421 128.421 122.132 6.289 18179 1046 1 2 . 1 1 103 103 ARG HA H 138 4.724 4.724 4.436 0.288 18179 1047 1 2 . 1 1 103 103 ARG C C 138 177.315 177.315 176.055 1.260 18179 1048 1 2 . 1 1 103 103 ARG CA C 138 50.845 50.845 54.382 -3.537 18179 1049 1 2 . 1 1 103 103 ARG CB C 138 25.210 25.210 27.518 -2.308 18179 1050 1 2 . 1 1 103 103 ARG H H 138 9.355 9.355 8.693 0.662 18179 1051 1 2 . 1 1 104 104 ALA N N 139 130.638 130.638 127.362 3.276 18179 1052 1 2 . 1 1 104 104 ALA HA H 139 4.128 4.128 3.725 0.403 18179 1053 1 2 . 1 1 104 104 ALA C C 139 170.819 170.819 178.302 -7.483 18179 1054 1 2 . 1 1 104 104 ALA CA C 139 53.517 53.517 54.526 -1.009 18179 1055 1 2 . 1 1 104 104 ALA CB C 139 18.047 18.047 17.549 0.498 18179 1056 1 2 . 1 1 104 104 ALA H H 139 8.340 8.340 8.063 0.277 18179 1057 1 2 . 1 1 105 105 ASP N N 140 113.599 113.599 119.586 -5.987 18179 1058 1 2 . 1 1 105 105 ASP HA H 140 4.356 4.356 4.295 0.061 18179 1059 1 2 . 1 1 105 105 ASP C C 140 175.173 175.173 176.540 -1.367 18179 1060 1 2 . 1 1 105 105 ASP CA C 140 54.097 54.097 56.430 -2.333 18179 1061 1 2 . 1 1 105 105 ASP CB C 140 39.219 39.219 40.431 -1.212 18179 1062 1 2 . 1 1 105 105 ASP H H 140 9.653 9.653 8.129 1.524 18179 1063 1 2 . 1 1 106 106 ILE N N 141 122.867 122.867 120.651 2.216 18179 1064 1 2 . 1 1 106 106 ILE HA H 141 4.332 4.332 4.018 0.314 18179 1065 1 2 . 1 1 106 106 ILE C C 141 174.778 174.778 175.735 -0.957 18179 1066 1 2 . 1 1 106 106 ILE CA C 141 62.464 62.464 62.248 0.216 18179 1067 1 2 . 1 1 106 106 ILE CB C 141 36.210 36.210 38.445 -2.235 18179 1068 1 2 . 1 1 106 106 ILE H H 141 7.541 7.541 7.935 -0.394 18179 1069 1 2 . 1 1 107 107 THR N N 142 117.525 117.525 117.996 -0.471 18179 1070 1 2 . 1 1 107 107 THR HA H 142 4.721 4.721 4.623 0.098 18179 1071 1 2 . 1 1 107 107 THR C C 142 175.898 175.898 174.732 1.166 18179 1072 1 2 . 1 1 107 107 THR CA C 142 59.199 59.199 60.450 -1.251 18179 1073 1 2 . 1 1 107 107 THR CB C 142 71.817 71.817 71.019 0.798 18179 1074 1 2 . 1 1 107 107 THR H H 142 7.816 7.816 7.970 -0.154 18179 1075 1 2 . 1 1 108 108 GLY N N 143 109.853 109.853 109.195 0.658 18179 1076 1 2 . 1 1 108 108 GLY C C 143 174.389 174.389 173.749 0.640 18179 1077 1 2 . 1 1 108 108 GLY CA C 143 44.291 44.291 45.036 -0.745 18179 1078 1 2 . 1 1 108 108 GLY H H 143 8.891 8.891 8.603 0.288 18179 1079 1 2 . 1 1 109 109 ARG N N 144 116.076 116.076 121.930 -5.854 18179 1080 1 2 . 1 1 109 109 ARG HA H 144 4.006 4.006 4.424 -0.418 18179 1081 1 2 . 1 1 109 109 ARG C C 144 176.521 176.521 175.099 1.422 18179 1082 1 2 . 1 1 109 109 ARG CA C 144 55.989 55.989 55.642 0.347 18179 1083 1 2 . 1 1 109 109 ARG CB C 144 30.851 30.851 32.129 -1.278 18179 1084 1 2 . 1 1 109 109 ARG H H 144 8.108 8.108 8.213 -0.105 18179 1085 1 2 . 1 1 110 110 TYR N N 145 123.010 123.010 118.417 4.593 18179 1086 1 2 . 1 1 110 110 TYR HA H 145 4.506 4.506 4.779 -0.273 18179 1087 1 2 . 1 1 110 110 TYR C C 145 178.395 178.395 175.532 2.863 18179 1088 1 2 . 1 1 110 110 TYR CA C 145 57.217 57.217 57.740 -0.524 18179 1089 1 2 . 1 1 110 110 TYR CB C 145 37.232 37.232 38.551 -1.319 18179 1090 1 2 . 1 1 110 110 TYR H H 145 8.825 8.825 8.309 0.516 18179 1091 1 2 . 1 1 111 111 SER N N 146 120.152 120.152 117.117 3.035 18179 1092 1 2 . 1 1 111 111 SER HA H 146 3.948 3.948 4.342 -0.394 18179 1093 1 2 . 1 1 111 111 SER C C 146 174.939 174.939 175.261 -0.322 18179 1094 1 2 . 1 1 111 111 SER CA C 146 60.850 60.850 60.424 0.426 18179 1095 1 2 . 1 1 111 111 SER CB C 146 62.776 62.776 63.713 -0.937 18179 1096 1 2 . 1 1 111 111 SER H H 146 8.616 8.616 8.336 0.280 18179 1097 1 2 . 1 1 112 112 ASN N N 147 116.146 116.146 116.318 -0.172 18179 1098 1 2 . 1 1 112 112 ASN HA H 147 4.558 4.558 4.770 -0.212 18179 1099 1 2 . 1 1 112 112 ASN C C 147 173.693 173.693 174.625 -0.932 18179 1100 1 2 . 1 1 112 112 ASN CA C 147 53.209 53.209 53.417 -0.208 18179 1101 1 2 . 1 1 112 112 ASN CB C 147 37.534 37.534 39.310 -1.776 18179 1102 1 2 . 1 1 112 112 ASN H H 147 8.374 8.374 8.212 0.162 18179 1103 1 2 . 1 1 113 113 ARG N N 148 121.673 121.673 121.469 0.204 18179 1104 1 2 . 1 1 113 113 ARG HA H 148 4.226 4.226 4.614 -0.388 18179 1105 1 2 . 1 1 113 113 ARG C C 148 176.358 176.358 174.528 1.830 18179 1106 1 2 . 1 1 113 113 ARG CA C 148 55.251 55.251 55.779 -0.528 18179 1107 1 2 . 1 1 113 113 ARG CB C 148 30.973 30.973 31.764 -0.791 18179 1108 1 2 . 1 1 113 113 ARG H H 148 6.782 6.782 8.048 -1.266 18179 1109 1 2 . 1 1 114 114 LEU N N 149 125.966 125.966 123.661 2.305 18179 1110 1 2 . 1 1 114 114 LEU HA H 149 3.776 3.776 4.084 -0.308 18179 1111 1 2 . 1 1 114 114 LEU C C 149 175.787 175.787 175.844 -0.057 18179 1112 1 2 . 1 1 114 114 LEU CA C 149 57.640 57.640 55.230 2.410 18179 1113 1 2 . 1 1 114 114 LEU CB C 149 43.153 43.153 42.271 0.882 18179 1114 1 2 . 1 1 114 114 LEU H H 149 9.976 9.976 8.654 1.322 18179 1115 1 2 . 1 1 115 115 TYR N N 150 115.137 115.137 118.209 -3.072 18179 1116 1 2 . 1 1 115 115 TYR HA H 150 4.947 4.947 4.636 0.311 18179 1117 1 2 . 1 1 115 115 TYR C C 150 174.449 174.449 174.982 -0.533 18179 1118 1 2 . 1 1 115 115 TYR CA C 150 55.986 55.986 56.351 -0.365 18179 1119 1 2 . 1 1 115 115 TYR CB C 150 38.660 38.660 39.234 -0.574 18179 1120 1 2 . 1 1 115 115 TYR H H 150 8.272 8.272 7.803 0.469 18179 1121 1 2 . 1 1 116 116 ALA N N 151 121.349 121.349 127.742 -6.393 18179 1122 1 2 . 1 1 116 116 ALA HA H 151 5.086 5.086 5.101 -0.015 18179 1123 1 2 . 1 1 116 116 ALA C C 151 177.541 177.541 175.565 1.976 18179 1124 1 2 . 1 1 116 116 ALA CA C 151 51.614 51.614 51.029 0.585 18179 1125 1 2 . 1 1 116 116 ALA CB C 151 21.262 21.262 21.772 -0.510 18179 1126 1 2 . 1 1 116 116 ALA H H 151 7.515 7.515 8.415 -0.900 18179 1127 1 2 . 1 1 117 117 TYR N N 152 115.287 115.287 112.659 2.628 18179 1128 1 2 . 1 1 117 117 TYR HA H 152 4.693 4.693 4.768 -0.075 18179 1129 1 2 . 1 1 117 117 TYR C C 152 173.749 173.749 173.424 0.325 18179 1130 1 2 . 1 1 117 117 TYR CA C 152 58.142 58.142 58.569 -0.427 18179 1131 1 2 . 1 1 117 117 TYR CB C 152 42.827 42.827 40.533 2.294 18179 1132 1 2 . 1 1 117 117 TYR H H 152 6.916 6.916 9.377 -2.461 18179 1133 1 2 . 1 1 118 118 GLU N N 153 122.624 122.624 120.356 2.268 18179 1134 1 2 . 1 1 118 118 GLU HA H 153 4.951 4.951 4.676 0.275 18179 1135 1 2 . 1 1 118 118 GLU C C 153 175.895 175.895 175.262 0.633 18179 1136 1 2 . 1 1 118 118 GLU CA C 153 54.029 54.029 52.521 1.508 18179 1137 1 2 . 1 1 118 118 GLU CB C 153 29.513 29.513 29.691 -0.178 18179 1138 1 2 . 1 1 118 118 GLU H H 153 9.508 9.508 7.929 1.579 18179 1139 1 2 . 1 1 119 119 PRO HA H 154 4.119 4.119 4.080 0.039 18179 1140 1 2 . 1 1 119 119 PRO C C 154 176.457 176.457 177.278 -0.821 18179 1141 1 2 . 1 1 119 119 PRO CA C 154 66.240 66.240 65.609 0.631 18179 1142 1 2 . 1 1 119 119 PRO CB C 154 31.682 31.682 31.562 0.120 18179 1143 1 2 . 1 1 120 120 ALA N N 155 114.721 114.721 119.494 -4.773 18179 1144 1 2 . 1 1 120 120 ALA HA H 155 4.372 4.372 4.248 0.124 18179 1145 1 2 . 1 1 120 120 ALA C C 155 178.528 178.528 177.493 1.035 18179 1146 1 2 . 1 1 120 120 ALA CA C 155 53.148 53.148 52.891 0.257 18179 1147 1 2 . 1 1 120 120 ALA CB C 155 18.782 18.782 19.085 -0.303 18179 1148 1 2 . 1 1 120 120 ALA H H 155 7.697 7.697 8.705 -1.008 18179 1149 1 2 . 1 1 121 121 ASP N N 156 117.502 117.502 115.879 1.623 18179 1150 1 2 . 1 1 121 121 ASP HA H 156 5.154 5.154 4.897 0.257 18179 1151 1 2 . 1 1 121 121 ASP C C 156 176.756 176.756 176.827 -0.071 18179 1152 1 2 . 1 1 121 121 ASP CA C 156 54.742 54.742 53.201 1.541 18179 1153 1 2 . 1 1 121 121 ASP CB C 156 42.326 42.326 39.805 2.521 18179 1154 1 2 . 1 1 121 121 ASP H H 156 8.493 8.493 8.138 0.355 18179 1155 1 2 . 1 1 122 122 THR N N 157 111.372 111.372 113.174 -1.802 18179 1156 1 2 . 1 1 122 122 THR HA H 157 3.738 3.738 4.164 -0.426 18179 1157 1 2 . 1 1 122 122 THR C C 157 176.023 176.023 176.050 -0.027 18179 1158 1 2 . 1 1 122 122 THR CA C 157 66.673 66.673 65.269 1.404 18179 1159 1 2 . 1 1 122 122 THR CB C 157 67.967 67.967 68.447 -0.480 18179 1160 1 2 . 1 1 122 122 THR H H 157 7.428 7.428 7.535 -0.107 18179 1161 1 2 . 1 1 123 123 ALA N N 158 123.853 123.853 125.178 -1.325 18179 1162 1 2 . 1 1 123 123 ALA HA H 158 4.133 4.133 4.203 -0.070 18179 1163 1 2 . 1 1 123 123 ALA C C 158 179.987 179.987 179.271 0.716 18179 1164 1 2 . 1 1 123 123 ALA CA C 158 55.545 55.545 54.835 0.710 18179 1165 1 2 . 1 1 123 123 ALA CB C 158 17.458 17.458 18.011 -0.552 18179 1166 1 2 . 1 1 123 123 ALA H H 158 8.663 8.663 8.237 0.426 18179 1167 1 2 . 1 1 124 124 LEU N N 159 121.199 121.199 120.186 1.013 18179 1168 1 2 . 1 1 124 124 LEU HA H 159 4.229 4.229 4.196 0.033 18179 1169 1 2 . 1 1 124 124 LEU C C 159 178.342 178.342 178.400 -0.058 18179 1170 1 2 . 1 1 124 124 LEU CA C 159 57.329 57.329 57.334 -0.005 18179 1171 1 2 . 1 1 124 124 LEU CB C 159 41.956 41.956 41.362 0.594 18179 1172 1 2 . 1 1 124 124 LEU H H 159 7.444 7.444 7.547 -0.103 18179 1173 1 2 . 1 1 125 125 LEU N N 160 119.836 119.836 120.324 -0.488 18179 1174 1 2 . 1 1 125 125 LEU HA H 160 3.963 3.963 4.023 -0.060 18179 1175 1 2 . 1 1 125 125 LEU C C 160 178.168 178.168 178.922 -0.754 18179 1176 1 2 . 1 1 125 125 LEU CA C 160 58.475 58.475 57.944 0.531 18179 1177 1 2 . 1 1 125 125 LEU CB C 160 40.915 40.915 41.073 -0.158 18179 1178 1 2 . 1 1 125 125 LEU H H 160 8.430 8.430 7.707 0.723 18179 1179 1 2 . 1 1 126 126 LEU N N 161 120.046 120.046 119.623 0.423 18179 1180 1 2 . 1 1 126 126 LEU HA H 161 4.000 4.000 4.114 -0.114 18179 1181 1 2 . 1 1 126 126 LEU C C 161 178.848 178.848 178.274 0.574 18179 1182 1 2 . 1 1 126 126 LEU CA C 161 58.524 58.524 57.881 0.643 18179 1183 1 2 . 1 1 126 126 LEU CB C 161 42.005 42.005 40.924 1.081 18179 1184 1 2 . 1 1 126 126 LEU H H 161 8.127 8.127 7.883 0.244 18179 1185 1 2 . 1 1 127 127 ASP N N 162 119.057 119.057 119.885 -0.828 18179 1186 1 2 . 1 1 127 127 ASP HA H 162 4.267 4.267 4.219 0.048 18179 1187 1 2 . 1 1 127 127 ASP C C 162 179.299 179.299 178.414 0.885 18179 1188 1 2 . 1 1 127 127 ASP CA C 162 57.699 57.699 57.525 0.174 18179 1189 1 2 . 1 1 127 127 ASP CB C 162 40.564 40.564 40.839 -0.275 18179 1190 1 2 . 1 1 127 127 ASP H H 162 7.872 7.872 7.918 -0.046 18179 1191 1 2 . 1 1 128 128 ASN N N 163 122.268 122.268 117.609 4.659 18179 1192 1 2 . 1 1 128 128 ASN HA H 163 4.423 4.423 4.271 0.152 18179 1193 1 2 . 1 1 128 128 ASN C C 163 177.256 177.256 177.183 0.073 18179 1194 1 2 . 1 1 128 128 ASN CA C 163 54.502 54.502 55.334 -0.832 18179 1195 1 2 . 1 1 128 128 ASN CB C 163 36.821 36.821 38.155 -1.334 18179 1196 1 2 . 1 1 128 128 ASN H H 163 8.711 8.711 8.114 0.597 18179 1197 1 2 . 1 1 129 129 MET N N 164 122.448 122.448 118.491 3.957 18179 1198 1 2 . 1 1 129 129 MET HA H 164 3.583 3.583 3.657 -0.074 18179 1199 1 2 . 1 1 129 129 MET C C 164 178.272 178.272 177.435 0.837 18179 1200 1 2 . 1 1 129 129 MET CA C 164 59.617 59.617 58.623 0.994 18179 1201 1 2 . 1 1 129 129 MET CB C 164 34.481 34.481 32.445 2.036 18179 1202 1 2 . 1 1 129 129 MET H H 164 8.704 8.704 7.290 1.414 18179 1203 1 2 . 1 1 130 130 LYS N N 165 117.243 117.243 118.219 -0.976 18179 1204 1 2 . 1 1 130 130 LYS HA H 165 3.869 3.869 4.055 -0.186 18179 1205 1 2 . 1 1 130 130 LYS C C 165 180.050 180.050 179.288 0.762 18179 1206 1 2 . 1 1 130 130 LYS CA C 165 60.517 60.517 58.689 1.828 18179 1207 1 2 . 1 1 130 130 LYS CB C 165 31.836 31.836 32.428 -0.592 18179 1208 1 2 . 1 1 130 130 LYS H H 165 7.767 7.767 7.690 0.077 18179 1209 1 2 . 1 1 131 131 LYS N N 166 120.486 120.486 118.990 1.496 18179 1210 1 2 . 1 1 131 131 LYS HA H 166 3.853 3.853 4.114 -0.261 18179 1211 1 2 . 1 1 131 131 LYS C C 166 179.232 179.232 178.431 0.801 18179 1212 1 2 . 1 1 131 131 LYS CA C 166 60.171 60.171 58.721 1.450 18179 1213 1 2 . 1 1 131 131 LYS CB C 166 32.783 32.783 32.361 0.422 18179 1214 1 2 . 1 1 131 131 LYS H H 166 7.914 7.914 7.448 0.466 18179 1215 1 2 . 1 1 132 132 ALA N N 167 122.426 122.426 119.840 2.586 18179 1216 1 2 . 1 1 132 132 ALA HA H 167 3.625 3.625 4.390 -0.765 18179 1217 1 2 . 1 1 132 132 ALA C C 167 177.616 177.616 177.808 -0.192 18179 1218 1 2 . 1 1 132 132 ALA CA C 167 54.246 54.246 53.641 0.605 18179 1219 1 2 . 1 1 132 132 ALA CB C 167 18.261 18.261 18.543 -0.282 18179 1220 1 2 . 1 1 132 132 ALA H H 167 7.801 7.801 7.243 0.558 18179 1221 1 2 . 1 1 133 133 LEU N N 168 113.735 113.735 116.555 -2.820 18179 1222 1 2 . 1 1 133 133 LEU HA H 168 3.747 3.747 4.431 -0.684 18179 1223 1 2 . 1 1 133 133 LEU C C 168 177.322 177.322 176.710 0.612 18179 1224 1 2 . 1 1 133 133 LEU CA C 168 55.892 55.892 55.269 0.623 18179 1225 1 2 . 1 1 133 133 LEU CB C 168 42.159 42.159 43.007 -0.848 18179 1226 1 2 . 1 1 133 133 LEU H H 168 7.010 7.010 7.153 -0.143 18179 1227 1 2 . 1 1 134 134 LYS N N 169 123.034 123.034 120.724 2.310 18179 1228 1 2 . 1 1 134 134 LYS HA H 169 4.331 4.331 4.449 -0.118 18179 1229 1 2 . 1 1 134 134 LYS C C 169 174.307 174.307 175.136 -0.829 18179 1230 1 2 . 1 1 134 134 LYS CA C 169 55.382 55.382 54.484 0.898 18179 1231 1 2 . 1 1 134 134 LYS CB C 169 29.718 29.718 31.669 -1.951 18179 1232 1 2 . 1 1 134 134 LYS H H 169 7.202 7.202 7.336 -0.134 18179 1233 1 2 . 1 1 135 135 LEU N N 170 120.490 120.490 123.377 -2.887 18179 1234 1 2 . 1 1 135 135 LEU HA H 170 3.980 3.980 4.444 -0.464 18179 1235 1 2 . 1 1 135 135 LEU C C 170 178.427 178.427 176.736 1.691 18179 1236 1 2 . 1 1 135 135 LEU CA C 170 54.884 54.884 54.425 0.459 18179 1237 1 2 . 1 1 135 135 LEU CB C 170 40.903 40.903 39.663 1.240 18179 1238 1 2 . 1 1 135 135 LEU H H 170 7.334 7.334 8.358 -1.024 18179 1239 1 2 . 1 1 136 136 LEU N N 171 120.084 120.084 119.870 0.214 18179 1240 1 2 . 1 1 136 136 LEU HA H 171 4.040 4.040 4.793 -0.753 18179 1241 1 2 . 1 1 136 136 LEU C C 171 178.231 178.231 177.233 0.998 18179 1242 1 2 . 1 1 136 136 LEU CA C 171 55.750 55.750 55.380 0.370 18179 1243 1 2 . 1 1 136 136 LEU CB C 171 41.734 41.734 42.476 -0.742 18179 1244 1 2 . 1 1 136 136 LEU H H 171 8.614 8.614 7.830 0.784 18179 1245 1 2 . 1 1 137 137 LYS N N 172 121.059 121.059 117.107 3.952 18179 1246 1 2 . 1 1 137 137 LYS HA H 172 4.333 4.333 4.425 -0.092 18179 1247 1 2 . 1 1 137 137 LYS C C 172 174.388 174.388 176.501 -2.113 18179 1248 1 2 . 1 1 137 137 LYS CA C 172 55.903 55.903 56.773 -0.870 18179 1249 1 2 . 1 1 137 137 LYS CB C 172 32.681 32.681 32.794 -0.112 18179 1250 1 2 . 1 1 137 137 LYS H H 172 8.468 8.468 8.164 0.304 18179 1251 1 2 . 1 1 138 138 THR N N 173 116.267 116.267 108.595 7.672 18179 1252 1 2 . 1 1 138 138 THR HA H 173 4.261 4.261 4.519 -0.258 18179 1253 1 2 . 1 1 138 138 THR C C 173 174.267 174.267 175.468 -1.201 18179 1254 1 2 . 1 1 138 138 THR CA C 173 61.867 61.867 62.129 -0.262 18179 1255 1 2 . 1 1 138 138 THR CB C 173 69.848 69.848 69.933 -0.085 18179 1256 1 2 . 1 1 138 138 THR H H 173 8.095 8.095 7.455 0.640 18179 1257 1 2 . 1 1 139 139 GLU N N 174 123.648 123.648 122.741 0.907 18179 1258 1 2 . 1 1 139 139 GLU HA H 174 4.288 4.288 4.263 0.025 18179 1259 1 2 . 1 1 139 139 GLU C C 174 175.178 175.178 177.053 -1.875 18179 1260 1 2 . 1 1 139 139 GLU CA C 174 56.205 56.205 58.544 -2.339 18179 1261 1 2 . 1 1 139 139 GLU CB C 174 30.353 30.353 30.067 0.286 18179 1262 1 2 . 1 1 139 139 GLU H H 174 8.293 8.293 8.309 -0.016 18179 1263 1 3 . 1 1 17 17 LEU N N 52 120.529 120.529 120.924 -0.395 18179 1264 1 3 . 1 1 17 17 LEU HA H 52 4.317 4.317 4.512 -0.195 18179 1265 1 3 . 1 1 17 17 LEU CA C 52 53.456 53.456 54.159 -0.703 18179 1266 1 3 . 1 1 17 17 LEU CB C 52 42.494 42.494 42.866 -0.372 18179 1267 1 3 . 1 1 17 17 LEU H H 52 7.103 7.103 7.845 -0.742 18179 1268 1 3 . 1 1 18 18 ILE CB C 53 36.458 36.458 37.354 -0.896 18179 1269 1 3 . 1 1 23 23 TYR HA H 58 4.359 4.359 4.114 0.245 18179 1270 1 3 . 1 1 23 23 TYR C C 58 176.387 176.387 176.892 -0.505 18179 1271 1 3 . 1 1 23 23 TYR CA C 58 59.597 59.597 61.640 -2.043 18179 1272 1 3 . 1 1 23 23 TYR CB C 58 38.572 38.572 38.790 -0.218 18179 1273 1 3 . 1 1 24 24 GLU N N 59 117.335 117.335 119.863 -2.528 18179 1274 1 3 . 1 1 24 24 GLU CA C 59 60.871 60.871 59.756 1.115 18179 1275 1 3 . 1 1 24 24 GLU CB C 59 28.494 28.494 29.212 -0.718 18179 1276 1 3 . 1 1 24 24 GLU H H 59 9.191 9.191 8.838 0.353 18179 1277 1 3 . 1 1 25 25 ALA N N 60 120.861 120.861 121.356 -0.495 18179 1278 1 3 . 1 1 25 25 ALA CA C 60 54.555 54.555 54.520 0.035 18179 1279 1 3 . 1 1 25 25 ALA CB C 60 18.528 18.528 18.013 0.515 18179 1280 1 3 . 1 1 25 25 ALA H H 60 7.688 7.688 7.491 0.197 18179 1281 1 3 . 1 1 26 26 ALA N N 61 123.402 123.402 121.877 1.525 18179 1282 1 3 . 1 1 26 26 ALA HA H 61 3.900 3.900 3.915 -0.015 18179 1283 1 3 . 1 1 26 26 ALA CA C 61 55.346 55.346 54.972 0.374 18179 1284 1 3 . 1 1 26 26 ALA CB C 61 19.104 19.104 18.043 1.061 18179 1285 1 3 . 1 1 26 26 ALA H H 61 8.225 8.225 7.421 0.804 18179 1286 1 3 . 1 1 27 27 LEU N N 62 118.742 118.742 118.601 0.141 18179 1287 1 3 . 1 1 27 27 LEU HA H 62 3.700 3.700 3.765 -0.065 18179 1288 1 3 . 1 1 27 27 LEU C C 62 171.911 171.911 179.235 -7.324 18179 1289 1 3 . 1 1 27 27 LEU CA C 62 57.654 57.654 57.851 -0.197 18179 1290 1 3 . 1 1 27 27 LEU CB C 62 41.905 41.905 41.733 0.172 18179 1291 1 3 . 1 1 27 27 LEU H H 62 8.336 8.336 7.669 0.667 18179 1292 1 3 . 1 1 28 28 TYR N N 63 117.594 117.594 119.270 -1.676 18179 1293 1 3 . 1 1 28 28 TYR HA H 63 4.007 4.007 4.069 -0.062 18179 1294 1 3 . 1 1 28 28 TYR C C 63 179.075 179.075 177.485 1.590 18179 1295 1 3 . 1 1 28 28 TYR CA C 63 61.769 61.769 61.548 0.221 18179 1296 1 3 . 1 1 28 28 TYR CB C 63 38.071 38.071 38.337 -0.266 18179 1297 1 3 . 1 1 28 28 TYR H H 63 7.279 7.279 7.684 -0.405 18179 1298 1 3 . 1 1 29 29 LYS N N 64 121.077 121.077 119.914 1.163 18179 1299 1 3 . 1 1 29 29 LYS HA H 64 3.663 3.663 3.912 -0.249 18179 1300 1 3 . 1 1 29 29 LYS C C 64 176.394 176.394 179.398 -3.004 18179 1301 1 3 . 1 1 29 29 LYS CA C 64 59.230 59.230 58.288 0.941 18179 1302 1 3 . 1 1 29 29 LYS CB C 64 32.573 32.573 31.658 0.915 18179 1303 1 3 . 1 1 29 29 LYS H H 64 8.472 8.472 8.486 -0.014 18179 1304 1 3 . 1 1 30 30 SER N N 65 117.933 117.933 115.148 2.785 18179 1305 1 3 . 1 1 30 30 SER HA H 65 4.160 4.160 4.188 -0.028 18179 1306 1 3 . 1 1 30 30 SER C C 65 176.518 176.518 175.964 0.554 18179 1307 1 3 . 1 1 30 30 SER CA C 65 61.706 61.706 62.161 -0.455 18179 1308 1 3 . 1 1 30 30 SER CB C 65 64.022 64.022 62.663 1.359 18179 1309 1 3 . 1 1 30 30 SER H H 65 8.500 8.500 8.658 -0.158 18179 1310 1 3 . 1 1 31 31 LYS N N 66 117.248 117.248 122.307 -5.059 18179 1311 1 3 . 1 1 31 31 LYS HA H 66 4.301 4.301 4.087 0.214 18179 1312 1 3 . 1 1 31 31 LYS C C 66 179.721 179.721 178.008 1.713 18179 1313 1 3 . 1 1 31 31 LYS CA C 66 59.165 59.165 58.972 0.193 18179 1314 1 3 . 1 1 31 31 LYS CB C 66 32.372 32.372 32.507 -0.135 18179 1315 1 3 . 1 1 31 31 LYS H H 66 8.020 8.020 7.708 0.312 18179 1316 1 3 . 1 1 32 32 THR N N 67 109.772 109.772 109.502 0.270 18179 1317 1 3 . 1 1 32 32 THR HA H 67 3.883 3.883 4.262 -0.379 18179 1318 1 3 . 1 1 32 32 THR C C 67 176.237 176.237 175.910 0.327 18179 1319 1 3 . 1 1 32 32 THR CA C 67 64.813 64.813 63.942 0.871 18179 1320 1 3 . 1 1 32 32 THR CB C 67 69.445 69.445 68.955 0.490 18179 1321 1 3 . 1 1 32 32 THR H H 67 7.844 7.844 7.640 0.204 18179 1322 1 3 . 1 1 33 33 SER N N 68 115.610 115.610 116.288 -0.678 18179 1323 1 3 . 1 1 33 33 SER HA H 68 4.369 4.369 4.488 -0.119 18179 1324 1 3 . 1 1 33 33 SER C C 68 174.628 174.628 173.377 1.251 18179 1325 1 3 . 1 1 33 33 SER CA C 68 59.242 59.242 58.312 0.930 18179 1326 1 3 . 1 1 33 33 SER CB C 68 65.166 65.166 63.915 1.251 18179 1327 1 3 . 1 1 33 33 SER H H 68 8.047 8.047 7.364 0.683 18179 1328 1 3 . 1 1 34 34 ASN N N 69 110.215 110.215 119.193 -8.978 18179 1329 1 3 . 1 1 34 34 ASN HA H 69 4.181 4.181 4.339 -0.158 18179 1330 1 3 . 1 1 34 34 ASN C C 69 173.253 173.253 173.633 -0.380 18179 1331 1 3 . 1 1 34 34 ASN CA C 69 54.302 54.302 54.299 0.003 18179 1332 1 3 . 1 1 34 34 ASN CB C 69 38.506 38.506 37.062 1.444 18179 1333 1 3 . 1 1 34 34 ASN H H 69 8.061 8.061 7.689 0.372 18179 1334 1 3 . 1 1 35 35 LYS N N 70 117.312 117.312 120.544 -3.232 18179 1335 1 3 . 1 1 35 35 LYS HA H 70 4.676 4.676 4.792 -0.116 18179 1336 1 3 . 1 1 35 35 LYS CA C 70 53.385 53.385 52.807 0.578 18179 1337 1 3 . 1 1 35 35 LYS CB C 70 34.049 34.049 34.039 0.010 18179 1338 1 3 . 1 1 35 35 LYS H H 70 7.589 7.589 8.174 -0.585 18179 1339 1 3 . 1 1 36 36 PRO HA H 71 4.371 4.371 4.618 -0.247 18179 1340 1 3 . 1 1 36 36 PRO C C 71 172.189 172.189 175.641 -3.452 18179 1341 1 3 . 1 1 36 36 PRO CA C 71 62.356 62.356 62.722 -0.366 18179 1342 1 3 . 1 1 36 36 PRO CB C 71 31.785 31.785 32.428 -0.643 18179 1343 1 3 . 1 1 37 37 LEU N N 72 122.894 122.894 123.039 -0.145 18179 1344 1 3 . 1 1 37 37 LEU HA H 72 5.392 5.392 4.672 0.720 18179 1345 1 3 . 1 1 37 37 LEU C C 72 174.422 174.422 175.857 -1.435 18179 1346 1 3 . 1 1 37 37 LEU CA C 72 52.656 52.656 54.345 -1.689 18179 1347 1 3 . 1 1 37 37 LEU CB C 72 45.220 45.220 43.041 2.179 18179 1348 1 3 . 1 1 37 37 LEU H H 72 8.936 8.936 8.579 0.357 18179 1349 1 3 . 1 1 38 38 MET N N 73 128.922 128.922 124.672 4.250 18179 1350 1 3 . 1 1 38 38 MET C C 73 172.488 172.488 174.397 -1.909 18179 1351 1 3 . 1 1 38 38 MET CA C 73 54.806 54.806 54.226 0.580 18179 1352 1 3 . 1 1 38 38 MET CB C 73 35.127 35.127 34.109 1.018 18179 1353 1 3 . 1 1 38 38 MET H H 73 8.965 8.965 8.552 0.413 18179 1354 1 3 . 1 1 39 39 ILE N N 74 124.016 124.016 128.834 -4.818 18179 1355 1 3 . 1 1 39 39 ILE HA H 74 4.819 4.819 4.211 0.608 18179 1356 1 3 . 1 1 39 39 ILE C C 74 175.018 175.018 173.472 1.546 18179 1357 1 3 . 1 1 39 39 ILE CA C 74 59.688 59.688 59.760 -0.072 18179 1358 1 3 . 1 1 39 39 ILE CB C 74 40.407 40.407 38.849 1.558 18179 1359 1 3 . 1 1 39 39 ILE H H 74 8.727 8.727 7.712 1.015 18179 1360 1 3 . 1 1 40 40 ILE N N 75 126.837 126.837 130.663 -3.826 18179 1361 1 3 . 1 1 40 40 ILE HA H 75 4.038 4.038 4.242 -0.204 18179 1362 1 3 . 1 1 40 40 ILE C C 75 175.282 175.282 174.201 1.081 18179 1363 1 3 . 1 1 40 40 ILE CA C 75 60.408 60.408 59.268 1.140 18179 1364 1 3 . 1 1 40 40 ILE CB C 75 40.028 40.028 37.312 2.716 18179 1365 1 3 . 1 1 40 40 ILE H H 75 8.587 8.587 8.143 0.444 18179 1366 1 3 . 1 1 41 41 HIS N N 76 128.633 128.633 126.703 1.930 18179 1367 1 3 . 1 1 41 41 HIS CA C 76 56.453 56.453 54.621 1.832 18179 1368 1 3 . 1 1 41 41 HIS CB C 76 29.368 29.368 33.539 -4.171 18179 1369 1 3 . 1 1 41 41 HIS H H 76 9.145 9.145 8.010 1.135 18179 1370 1 3 . 1 1 42 42 HIS HA H 77 4.822 4.822 5.036 -0.214 18179 1371 1 3 . 1 1 42 42 HIS C C 77 170.942 170.942 174.179 -3.237 18179 1372 1 3 . 1 1 42 42 HIS CA C 77 54.441 54.441 53.874 0.567 18179 1373 1 3 . 1 1 42 42 HIS CB C 77 34.768 34.768 33.694 1.074 18179 1374 1 3 . 1 1 43 43 LEU N N 78 114.526 114.526 120.748 -6.222 18179 1375 1 3 . 1 1 43 43 LEU HA H 78 4.540 4.540 4.623 -0.083 18179 1376 1 3 . 1 1 43 43 LEU C C 78 177.855 177.855 177.179 0.676 18179 1377 1 3 . 1 1 43 43 LEU CA C 78 54.020 54.020 53.351 0.669 18179 1378 1 3 . 1 1 43 43 LEU CB C 78 46.643 46.643 44.799 1.844 18179 1379 1 3 . 1 1 43 43 LEU H H 78 7.077 7.077 8.652 -1.575 18179 1380 1 3 . 1 1 44 44 ASP N N 79 123.675 123.675 119.822 3.853 18179 1381 1 3 . 1 1 44 44 ASP HA H 79 4.452 4.452 4.535 -0.083 18179 1382 1 3 . 1 1 44 44 ASP C C 79 177.872 177.872 176.810 1.062 18179 1383 1 3 . 1 1 44 44 ASP CA C 79 57.458 57.458 55.762 1.696 18179 1384 1 3 . 1 1 44 44 ASP CB C 79 40.739 40.739 41.045 -0.306 18179 1385 1 3 . 1 1 44 44 ASP H H 79 8.783 8.783 8.707 0.076 18179 1386 1 3 . 1 1 45 45 GLU N N 80 115.578 115.578 120.370 -4.792 18179 1387 1 3 . 1 1 45 45 GLU HA H 80 4.156 4.156 4.368 -0.212 18179 1388 1 3 . 1 1 45 45 GLU C C 80 175.108 175.108 175.460 -0.352 18179 1389 1 3 . 1 1 45 45 GLU CA C 80 56.661 56.661 56.094 0.567 18179 1390 1 3 . 1 1 45 45 GLU CB C 80 28.604 28.604 28.080 0.524 18179 1391 1 3 . 1 1 45 45 GLU H H 80 9.146 9.146 8.986 0.160 18179 1392 1 3 . 1 1 46 46 CYS N N 81 125.642 125.642 118.102 7.540 18179 1393 1 3 . 1 1 46 46 CYS HA H 81 4.814 4.814 4.704 0.110 18179 1394 1 3 . 1 1 46 46 CYS C C 81 175.453 175.453 172.268 3.185 18179 1395 1 3 . 1 1 46 46 CYS CA C 81 56.298 56.298 55.298 1.000 18179 1396 1 3 . 1 1 46 46 CYS CB C 81 30.378 30.378 29.487 0.891 18179 1397 1 3 . 1 1 46 46 CYS H H 81 7.146 7.146 7.448 -0.302 18179 1398 1 3 . 1 1 47 47 PRO HA H 82 4.311 4.311 4.272 0.039 18179 1399 1 3 . 1 1 47 47 PRO CA C 82 64.536 64.536 63.569 0.967 18179 1400 1 3 . 1 1 47 47 PRO CB C 82 32.069 32.069 31.891 0.178 18179 1401 1 3 . 1 1 48 48 HIS N N 83 124.416 124.416 122.111 2.305 18179 1402 1 3 . 1 1 48 48 HIS HA H 83 4.511 4.511 4.403 0.108 18179 1403 1 3 . 1 1 48 48 HIS C C 83 178.820 178.820 177.298 1.522 18179 1404 1 3 . 1 1 48 48 HIS CA C 83 59.042 59.042 56.788 2.254 18179 1405 1 3 . 1 1 48 48 HIS CB C 83 28.921 28.921 30.517 -1.596 18179 1406 1 3 . 1 1 48 48 HIS H H 83 8.936 8.936 8.289 0.647 18179 1407 1 3 . 1 1 49 49 SER N N 84 129.973 129.973 118.305 11.668 18179 1408 1 3 . 1 1 49 49 SER HA H 84 4.152 4.152 3.928 0.224 18179 1409 1 3 . 1 1 49 49 SER C C 84 175.397 175.397 175.792 -0.395 18179 1410 1 3 . 1 1 49 49 SER CA C 84 63.873 63.873 62.423 1.450 18179 1411 1 3 . 1 1 49 49 SER CB C 84 65.516 65.516 63.073 2.443 18179 1412 1 3 . 1 1 49 49 SER H H 84 11.408 11.408 9.070 2.338 18179 1413 1 3 . 1 1 50 50 GLN N N 85 118.214 118.214 119.964 -1.750 18179 1414 1 3 . 1 1 50 50 GLN HA H 85 3.701 3.701 4.119 -0.418 18179 1415 1 3 . 1 1 50 50 GLN C C 85 178.213 178.213 177.710 0.503 18179 1416 1 3 . 1 1 50 50 GLN CA C 85 58.201 58.201 58.231 -0.030 18179 1417 1 3 . 1 1 50 50 GLN CB C 85 27.294 27.294 28.089 -0.795 18179 1418 1 3 . 1 1 50 50 GLN H H 85 8.192 8.192 8.160 0.032 18179 1419 1 3 . 1 1 51 51 ALA N N 86 121.790 121.790 122.591 -0.801 18179 1420 1 3 . 1 1 51 51 ALA HA H 86 4.099 4.099 4.141 -0.042 18179 1421 1 3 . 1 1 51 51 ALA C C 86 180.512 180.512 179.277 1.235 18179 1422 1 3 . 1 1 51 51 ALA CA C 86 54.742 54.742 54.570 0.172 18179 1423 1 3 . 1 1 51 51 ALA CB C 86 18.559 18.559 18.378 0.181 18179 1424 1 3 . 1 1 51 51 ALA H H 86 7.748 7.748 8.466 -0.718 18179 1425 1 3 . 1 1 52 52 LEU N N 87 118.528 118.528 119.628 -1.100 18179 1426 1 3 . 1 1 52 52 LEU HA H 87 4.076 4.076 3.887 0.189 18179 1427 1 3 . 1 1 52 52 LEU CA C 87 57.266 57.266 56.668 0.598 18179 1428 1 3 . 1 1 52 52 LEU CB C 87 41.947 41.947 41.425 0.522 18179 1429 1 3 . 1 1 52 52 LEU H H 87 7.918 7.918 7.401 0.517 18179 1430 1 3 . 1 1 53 53 LYS N N 88 120.398 120.398 119.506 0.892 18179 1431 1 3 . 1 1 53 53 LYS H H 88 7.932 7.932 8.042 -0.110 18179 1432 1 3 . 1 1 54 54 LYS N N 89 115.219 115.219 119.217 -3.998 18179 1433 1 3 . 1 1 54 54 LYS HA H 89 3.790 3.790 4.046 -0.256 18179 1434 1 3 . 1 1 54 54 LYS C C 89 178.614 178.614 179.015 -0.401 18179 1435 1 3 . 1 1 54 54 LYS CA C 89 59.308 59.308 59.203 0.105 18179 1436 1 3 . 1 1 54 54 LYS CB C 89 32.530 32.530 32.015 0.515 18179 1437 1 3 . 1 1 54 54 LYS H H 89 6.889 6.889 7.321 -0.432 18179 1438 1 3 . 1 1 55 55 VAL N N 90 110.991 110.991 118.649 -7.658 18179 1439 1 3 . 1 1 55 55 VAL HA H 90 4.049 4.049 3.674 0.375 18179 1440 1 3 . 1 1 55 55 VAL C C 90 178.054 178.054 178.521 -0.467 18179 1441 1 3 . 1 1 55 55 VAL CA C 90 64.467 64.467 66.499 -2.032 18179 1442 1 3 . 1 1 55 55 VAL CB C 90 31.625 31.625 31.383 0.242 18179 1443 1 3 . 1 1 55 55 VAL H H 90 6.748 6.748 7.350 -0.602 18179 1444 1 3 . 1 1 56 56 PHE N N 91 124.010 124.010 118.540 5.470 18179 1445 1 3 . 1 1 56 56 PHE HA H 91 3.829 3.829 4.329 -0.500 18179 1446 1 3 . 1 1 56 56 PHE C C 91 177.496 177.496 178.002 -0.506 18179 1447 1 3 . 1 1 56 56 PHE CA C 91 61.854 61.854 58.204 3.650 18179 1448 1 3 . 1 1 56 56 PHE CB C 91 41.828 41.828 37.474 4.354 18179 1449 1 3 . 1 1 56 56 PHE H H 91 8.722 8.722 7.638 1.084 18179 1450 1 3 . 1 1 57 57 ALA N N 92 118.444 118.444 118.909 -0.465 18179 1451 1 3 . 1 1 57 57 ALA HA H 92 4.185 4.185 4.222 -0.037 18179 1452 1 3 . 1 1 57 57 ALA C C 92 180.660 180.660 178.117 2.543 18179 1453 1 3 . 1 1 57 57 ALA CA C 92 54.288 54.288 53.993 0.295 18179 1454 1 3 . 1 1 57 57 ALA CB C 92 18.487 18.487 18.391 0.096 18179 1455 1 3 . 1 1 57 57 ALA H H 92 8.695 8.695 7.836 0.859 18179 1456 1 3 . 1 1 58 58 GLU N N 93 112.263 112.263 117.303 -5.040 18179 1457 1 3 . 1 1 58 58 GLU HA H 93 4.156 4.156 4.333 -0.177 18179 1458 1 3 . 1 1 58 58 GLU C C 93 175.641 175.641 176.503 -0.862 18179 1459 1 3 . 1 1 58 58 GLU CA C 93 55.883 55.883 56.957 -1.074 18179 1460 1 3 . 1 1 58 58 GLU CB C 93 30.495 30.495 30.738 -0.243 18179 1461 1 3 . 1 1 58 58 GLU H H 93 7.108 7.108 7.690 -0.582 18179 1462 1 3 . 1 1 59 59 ASN N N 94 120.422 120.422 120.380 0.042 18179 1463 1 3 . 1 1 59 59 ASN HA H 94 4.590 4.590 5.045 -0.455 18179 1464 1 3 . 1 1 59 59 ASN C C 94 174.151 174.151 175.041 -0.890 18179 1465 1 3 . 1 1 59 59 ASN CA C 94 54.056 54.056 52.504 1.552 18179 1466 1 3 . 1 1 59 59 ASN CB C 94 38.723 38.723 39.178 -0.455 18179 1467 1 3 . 1 1 59 59 ASN H H 94 7.269 7.269 7.960 -0.691 18179 1468 1 3 . 1 1 60 60 LYS N N 95 127.497 127.497 122.503 4.994 18179 1469 1 3 . 1 1 60 60 LYS HA H 95 3.770 3.770 4.009 -0.239 18179 1470 1 3 . 1 1 60 60 LYS C C 95 178.959 178.959 177.659 1.300 18179 1471 1 3 . 1 1 60 60 LYS CA C 95 59.337 59.337 59.776 -0.439 18179 1472 1 3 . 1 1 60 60 LYS CB C 95 32.170 32.170 32.316 -0.146 18179 1473 1 3 . 1 1 60 60 LYS H H 95 8.672 8.672 8.354 0.318 18179 1474 1 3 . 1 1 61 61 GLU N N 96 119.409 119.409 120.155 -0.746 18179 1475 1 3 . 1 1 61 61 GLU HA H 96 3.984 3.984 4.171 -0.187 18179 1476 1 3 . 1 1 61 61 GLU C C 96 179.574 179.574 178.608 0.966 18179 1477 1 3 . 1 1 61 61 GLU CA C 96 59.955 59.955 58.955 1.000 18179 1478 1 3 . 1 1 61 61 GLU CB C 96 29.246 29.246 29.209 0.037 18179 1479 1 3 . 1 1 61 61 GLU H H 96 7.988 7.988 8.267 -0.279 18179 1480 1 3 . 1 1 62 62 ILE N N 97 122.621 122.621 120.000 2.621 18179 1481 1 3 . 1 1 62 62 ILE HA H 97 3.224 3.224 3.800 -0.576 18179 1482 1 3 . 1 1 62 62 ILE C C 97 177.158 177.158 177.264 -0.106 18179 1483 1 3 . 1 1 62 62 ILE CA C 97 65.787 65.787 64.275 1.512 18179 1484 1 3 . 1 1 62 62 ILE CB C 97 37.710 37.710 38.145 -0.435 18179 1485 1 3 . 1 1 62 62 ILE H H 97 8.484 8.484 7.734 0.750 18179 1486 1 3 . 1 1 63 63 GLN N N 98 115.619 115.619 119.897 -4.278 18179 1487 1 3 . 1 1 63 63 GLN HA H 98 3.481 3.481 3.716 -0.235 18179 1488 1 3 . 1 1 63 63 GLN C C 98 178.097 178.097 178.322 -0.225 18179 1489 1 3 . 1 1 63 63 GLN CA C 98 58.601 58.601 59.264 -0.663 18179 1490 1 3 . 1 1 63 63 GLN CB C 98 28.834 28.834 28.673 0.161 18179 1491 1 3 . 1 1 63 63 GLN H H 98 8.046 8.046 7.909 0.137 18179 1492 1 3 . 1 1 64 64 LYS N N 99 116.464 116.464 118.817 -2.353 18179 1493 1 3 . 1 1 64 64 LYS HA H 99 4.125 4.125 4.323 -0.198 18179 1494 1 3 . 1 1 64 64 LYS C C 99 179.740 179.740 178.826 0.914 18179 1495 1 3 . 1 1 64 64 LYS CA C 99 57.955 57.955 57.989 -0.033 18179 1496 1 3 . 1 1 64 64 LYS CB C 99 32.054 32.054 32.145 -0.091 18179 1497 1 3 . 1 1 64 64 LYS H H 99 7.578 7.578 7.945 -0.367 18179 1498 1 3 . 1 1 65 65 LEU N N 100 122.576 122.576 120.440 2.136 18179 1499 1 3 . 1 1 65 65 LEU HA H 100 4.128 4.128 4.434 -0.306 18179 1500 1 3 . 1 1 65 65 LEU C C 100 178.481 178.481 179.431 -0.950 18179 1501 1 3 . 1 1 65 65 LEU CA C 100 57.044 57.044 57.455 -0.410 18179 1502 1 3 . 1 1 65 65 LEU CB C 100 41.883 41.883 40.925 0.958 18179 1503 1 3 . 1 1 65 65 LEU H H 100 7.916 7.916 7.387 0.529 18179 1504 1 3 . 1 1 66 66 ALA N N 101 119.534 119.534 120.106 -0.572 18179 1505 1 3 . 1 1 66 66 ALA HA H 101 3.810 3.810 2.554 1.256 18179 1506 1 3 . 1 1 66 66 ALA C C 101 177.520 177.520 178.547 -1.027 18179 1507 1 3 . 1 1 66 66 ALA CA C 101 54.772 54.772 53.860 0.912 18179 1508 1 3 . 1 1 66 66 ALA CB C 101 17.737 17.737 17.918 -0.181 18179 1509 1 3 . 1 1 66 66 ALA H H 101 8.511 8.511 7.554 0.957 18179 1510 1 3 . 1 1 67 67 GLU N N 102 113.081 113.081 116.504 -3.423 18179 1511 1 3 . 1 1 67 67 GLU HA H 102 4.113 4.113 3.965 0.148 18179 1512 1 3 . 1 1 67 67 GLU C C 102 178.295 178.295 178.052 0.243 18179 1513 1 3 . 1 1 67 67 GLU CA C 102 58.285 58.285 58.305 -0.020 18179 1514 1 3 . 1 1 67 67 GLU CB C 102 29.952 29.952 29.448 0.504 18179 1515 1 3 . 1 1 67 67 GLU H H 102 7.039 7.039 7.375 -0.336 18179 1516 1 3 . 1 1 68 68 GLN N N 103 116.244 116.244 116.216 0.028 18179 1517 1 3 . 1 1 68 68 GLN HA H 103 4.107 4.107 4.231 -0.124 18179 1518 1 3 . 1 1 68 68 GLN C C 103 173.173 173.173 175.806 -2.633 18179 1519 1 3 . 1 1 68 68 GLN CA C 103 56.094 56.094 57.090 -0.995 18179 1520 1 3 . 1 1 68 68 GLN CB C 103 28.703 28.703 29.619 -0.916 18179 1521 1 3 . 1 1 68 68 GLN H H 103 8.167 8.167 7.488 0.679 18179 1522 1 3 . 1 1 69 69 PHE N N 104 116.822 116.822 114.619 2.203 18179 1523 1 3 . 1 1 69 69 PHE HA H 104 4.645 4.645 4.911 -0.266 18179 1524 1 3 . 1 1 69 69 PHE C C 104 177.346 177.346 173.765 3.581 18179 1525 1 3 . 1 1 69 69 PHE CA C 104 57.254 57.254 55.379 1.875 18179 1526 1 3 . 1 1 69 69 PHE CB C 104 40.897 40.897 40.912 -0.015 18179 1527 1 3 . 1 1 69 69 PHE H H 104 7.633 7.633 6.845 0.788 18179 1528 1 3 . 1 1 70 70 VAL N N 105 120.799 120.799 118.093 2.706 18179 1529 1 3 . 1 1 70 70 VAL HA H 105 3.867 3.867 4.289 -0.422 18179 1530 1 3 . 1 1 70 70 VAL C C 105 174.191 174.191 175.822 -1.631 18179 1531 1 3 . 1 1 70 70 VAL CA C 105 63.450 63.450 61.946 1.504 18179 1532 1 3 . 1 1 70 70 VAL CB C 105 31.566 31.566 32.787 -1.221 18179 1533 1 3 . 1 1 70 70 VAL H H 105 8.943 8.943 8.636 0.307 18179 1534 1 3 . 1 1 71 71 LEU N N 106 129.105 129.105 124.177 4.928 18179 1535 1 3 . 1 1 71 71 LEU HA H 106 4.850 4.850 4.775 0.075 18179 1536 1 3 . 1 1 71 71 LEU CA C 106 53.854 53.854 53.788 0.066 18179 1537 1 3 . 1 1 71 71 LEU CB C 106 44.478 44.478 45.465 -0.987 18179 1538 1 3 . 1 1 71 71 LEU H H 106 8.432 8.432 8.492 -0.060 18179 1539 1 3 . 1 1 72 72 LEU N N 107 123.682 123.682 120.897 2.785 18179 1540 1 3 . 1 1 72 72 LEU H H 107 8.298 8.298 8.272 0.026 18179 1541 1 3 . 1 1 73 73 ASN N N 108 125.520 125.520 118.115 7.405 18179 1542 1 3 . 1 1 73 73 ASN CA C 108 51.631 51.631 56.065 -4.434 18179 1543 1 3 . 1 1 73 73 ASN CB C 108 41.484 41.484 38.487 2.997 18179 1544 1 3 . 1 1 73 73 ASN H H 108 9.761 9.761 8.308 1.453 18179 1545 1 3 . 1 1 74 74 LEU N N 109 122.070 122.070 115.822 6.248 18179 1546 1 3 . 1 1 74 74 LEU H H 109 8.563 8.563 7.650 0.913 18179 1547 1 3 . 1 1 75 75 VAL HA H 110 5.100 5.100 4.039 1.061 18179 1548 1 3 . 1 1 75 75 VAL CA C 110 59.157 59.157 63.651 -4.494 18179 1549 1 3 . 1 1 76 76 TYR N N 111 120.641 120.641 121.770 -1.129 18179 1550 1 3 . 1 1 76 76 TYR HA H 111 4.569 4.569 4.277 0.292 18179 1551 1 3 . 1 1 76 76 TYR C C 111 175.393 175.393 176.042 -0.649 18179 1552 1 3 . 1 1 76 76 TYR CA C 111 57.736 57.736 60.242 -2.506 18179 1553 1 3 . 1 1 76 76 TYR CB C 111 39.426 39.426 38.789 0.637 18179 1554 1 3 . 1 1 76 76 TYR H H 111 8.255 8.255 8.096 0.159 18179 1555 1 3 . 1 1 79 79 THR HA H 114 4.180 4.180 4.310 -0.130 18179 1556 1 3 . 1 1 79 79 THR CA C 114 61.295 61.295 61.139 0.156 18179 1557 1 3 . 1 1 79 79 THR CB C 114 68.683 68.683 69.776 -1.093 18179 1558 1 3 . 1 1 80 80 ASP N N 115 121.026 121.026 121.915 -0.889 18179 1559 1 3 . 1 1 80 80 ASP C C 115 177.959 177.959 177.413 0.546 18179 1560 1 3 . 1 1 80 80 ASP CA C 115 53.276 53.276 55.118 -1.843 18179 1561 1 3 . 1 1 80 80 ASP H H 115 7.746 7.746 8.418 -0.672 18179 1562 1 3 . 1 1 81 81 LYS N N 116 129.056 129.056 127.130 1.926 18179 1563 1 3 . 1 1 81 81 LYS HA H 116 3.828 3.828 4.013 -0.185 18179 1564 1 3 . 1 1 81 81 LYS C C 116 179.118 179.118 177.255 1.863 18179 1565 1 3 . 1 1 81 81 LYS CA C 116 57.957 57.957 58.045 -0.088 18179 1566 1 3 . 1 1 81 81 LYS CB C 116 31.273 31.273 32.390 -1.117 18179 1567 1 3 . 1 1 81 81 LYS H H 116 8.873 8.873 8.740 0.133 18179 1568 1 3 . 1 1 82 82 HIS N N 117 116.887 116.887 117.339 -0.452 18179 1569 1 3 . 1 1 82 82 HIS HA H 117 4.290 4.290 4.420 -0.130 18179 1570 1 3 . 1 1 82 82 HIS C C 117 175.622 175.622 176.835 -1.213 18179 1571 1 3 . 1 1 82 82 HIS CA C 117 57.865 57.865 58.319 -0.454 18179 1572 1 3 . 1 1 82 82 HIS CB C 117 27.704 27.704 30.180 -2.476 18179 1573 1 3 . 1 1 82 82 HIS H H 117 8.707 8.707 7.979 0.728 18179 1574 1 3 . 1 1 83 83 LEU N N 118 113.733 113.733 120.942 -7.209 18179 1575 1 3 . 1 1 83 83 LEU HA H 118 4.290 4.290 4.203 0.087 18179 1576 1 3 . 1 1 83 83 LEU C C 118 175.949 175.949 177.161 -1.212 18179 1577 1 3 . 1 1 83 83 LEU CA C 118 53.982 53.982 57.442 -3.460 18179 1578 1 3 . 1 1 83 83 LEU CB C 118 41.734 41.734 43.063 -1.329 18179 1579 1 3 . 1 1 83 83 LEU H H 118 7.332 7.332 7.666 -0.334 18179 1580 1 3 . 1 1 84 84 SER N N 119 111.979 111.979 113.782 -1.803 18179 1581 1 3 . 1 1 84 84 SER HA H 119 4.632 4.632 5.001 -0.369 18179 1582 1 3 . 1 1 84 84 SER C C 119 173.830 173.830 173.090 0.740 18179 1583 1 3 . 1 1 84 84 SER CA C 119 55.581 55.581 55.331 0.250 18179 1584 1 3 . 1 1 84 84 SER CB C 119 62.367 62.367 62.846 -0.478 18179 1585 1 3 . 1 1 84 84 SER H H 119 7.268 7.268 7.583 -0.315 18179 1586 1 3 . 1 1 85 85 PRO HA H 120 4.384 4.384 4.438 -0.054 18179 1587 1 3 . 1 1 85 85 PRO C C 120 177.881 177.881 176.713 1.168 18179 1588 1 3 . 1 1 85 85 PRO CA C 120 65.292 65.292 64.186 1.107 18179 1589 1 3 . 1 1 85 85 PRO CB C 120 31.942 31.942 32.185 -0.243 18179 1590 1 3 . 1 1 86 86 ASP N N 121 117.614 117.614 116.029 1.585 18179 1591 1 3 . 1 1 86 86 ASP HA H 121 4.960 4.960 4.810 0.150 18179 1592 1 3 . 1 1 86 86 ASP C C 121 174.734 174.734 176.898 -2.164 18179 1593 1 3 . 1 1 86 86 ASP CA C 121 51.999 51.999 54.130 -2.131 18179 1594 1 3 . 1 1 86 86 ASP CB C 121 40.327 40.327 40.938 -0.611 18179 1595 1 3 . 1 1 86 86 ASP H H 121 8.882 8.882 8.503 0.379 18179 1596 1 3 . 1 1 87 87 GLY N N 122 106.815 106.815 109.485 -2.670 18179 1597 1 3 . 1 1 87 87 GLY C C 122 173.401 173.401 174.344 -0.943 18179 1598 1 3 . 1 1 87 87 GLY CA C 122 43.814 43.814 45.358 -1.544 18179 1599 1 3 . 1 1 87 87 GLY H H 122 6.973 6.973 7.728 -0.755 18179 1600 1 3 . 1 1 88 88 GLN N N 123 118.319 118.319 119.680 -1.361 18179 1601 1 3 . 1 1 88 88 GLN HA H 123 3.984 3.984 4.247 -0.263 18179 1602 1 3 . 1 1 88 88 GLN C C 123 174.141 174.141 176.173 -2.032 18179 1603 1 3 . 1 1 88 88 GLN CA C 123 54.717 54.717 56.078 -1.361 18179 1604 1 3 . 1 1 88 88 GLN CB C 123 27.267 27.267 29.891 -2.624 18179 1605 1 3 . 1 1 88 88 GLN H H 123 8.224 8.224 7.860 0.364 18179 1606 1 3 . 1 1 89 89 TYR N N 124 117.220 117.220 120.294 -3.074 18179 1607 1 3 . 1 1 89 89 TYR HA H 124 4.596 4.596 4.417 0.179 18179 1608 1 3 . 1 1 89 89 TYR C C 124 173.402 173.402 177.840 -4.438 18179 1609 1 3 . 1 1 89 89 TYR CA C 124 54.672 54.672 58.257 -3.584 18179 1610 1 3 . 1 1 89 89 TYR CB C 124 38.970 38.970 37.767 1.203 18179 1611 1 3 . 1 1 89 89 TYR H H 124 5.954 5.954 7.222 -1.268 18179 1612 1 3 . 1 1 90 90 VAL N N 125 109.249 109.249 123.169 -13.920 18179 1613 1 3 . 1 1 90 90 VAL HA H 125 4.572 4.572 3.915 0.657 18179 1614 1 3 . 1 1 90 90 VAL C C 125 173.254 173.254 175.055 -1.801 18179 1615 1 3 . 1 1 90 90 VAL CA C 125 57.982 57.982 65.502 -7.520 18179 1616 1 3 . 1 1 90 90 VAL CB C 125 35.376 35.376 30.335 5.041 18179 1617 1 3 . 1 1 90 90 VAL H H 125 8.303 8.303 8.737 -0.434 18179 1618 1 3 . 1 1 92 92 ARG HA H 127 5.178 5.178 4.445 0.733 18179 1619 1 3 . 1 1 92 92 ARG CA C 127 55.689 55.689 55.305 0.384 18179 1620 1 3 . 1 1 93 93 ILE N N 128 127.696 127.696 120.208 7.488 18179 1621 1 3 . 1 1 93 93 ILE HA H 128 5.088 5.088 4.078 1.010 18179 1622 1 3 . 1 1 93 93 ILE CA C 128 61.063 61.063 60.385 0.678 18179 1623 1 3 . 1 1 93 93 ILE CB C 128 39.101 39.101 36.194 2.907 18179 1624 1 3 . 1 1 93 93 ILE H H 128 9.099 9.099 7.904 1.195 18179 1625 1 3 . 1 1 94 94 MET N N 129 122.683 122.683 125.504 -2.821 18179 1626 1 3 . 1 1 94 94 MET C C 129 174.006 174.006 174.582 -0.576 18179 1627 1 3 . 1 1 94 94 MET CA C 129 51.503 51.503 54.006 -2.503 18179 1628 1 3 . 1 1 94 94 MET CB C 129 34.764 34.764 35.948 -1.184 18179 1629 1 3 . 1 1 94 94 MET H H 129 8.496 8.496 8.332 0.164 18179 1630 1 3 . 1 1 95 95 PHE N N 130 118.014 118.014 114.368 3.646 18179 1631 1 3 . 1 1 95 95 PHE HA H 130 5.589 5.589 4.802 0.787 18179 1632 1 3 . 1 1 95 95 PHE C C 130 174.811 174.811 173.612 1.199 18179 1633 1 3 . 1 1 95 95 PHE CA C 130 56.432 56.432 56.574 -0.142 18179 1634 1 3 . 1 1 95 95 PHE CB C 130 41.941 41.941 41.587 0.354 18179 1635 1 3 . 1 1 95 95 PHE H H 130 8.573 8.573 7.654 0.919 18179 1636 1 3 . 1 1 96 96 VAL N N 131 122.847 122.847 123.488 -0.641 18179 1637 1 3 . 1 1 96 96 VAL HA H 131 4.337 4.337 4.336 0.001 18179 1638 1 3 . 1 1 96 96 VAL C C 131 174.303 174.303 175.177 -0.874 18179 1639 1 3 . 1 1 96 96 VAL CA C 131 61.405 61.405 60.925 0.479 18179 1640 1 3 . 1 1 96 96 VAL CB C 131 34.679 34.679 33.028 1.651 18179 1641 1 3 . 1 1 96 96 VAL H H 131 9.855 9.855 9.337 0.518 18179 1642 1 3 . 1 1 97 97 ASP N N 132 128.042 128.042 128.608 -0.566 18179 1643 1 3 . 1 1 97 97 ASP HA H 132 4.883 4.883 4.688 0.195 18179 1644 1 3 . 1 1 97 97 ASP C C 132 174.958 174.958 176.343 -1.385 18179 1645 1 3 . 1 1 97 97 ASP CA C 132 53.082 53.082 55.193 -2.111 18179 1646 1 3 . 1 1 97 97 ASP CB C 132 45.484 45.484 40.947 4.537 18179 1647 1 3 . 1 1 97 97 ASP H H 132 8.399 8.399 8.909 -0.510 18179 1648 1 3 . 1 1 98 98 PRO HA H 133 4.566 4.566 4.373 0.193 18179 1649 1 3 . 1 1 98 98 PRO C C 133 175.650 175.650 176.993 -1.343 18179 1650 1 3 . 1 1 98 98 PRO CA C 133 65.207 65.207 64.010 1.197 18179 1651 1 3 . 1 1 98 98 PRO CB C 133 31.858 31.858 32.027 -0.169 18179 1652 1 3 . 1 1 99 99 SER N N 134 111.171 111.171 112.210 -1.039 18179 1653 1 3 . 1 1 99 99 SER HA H 134 4.122 4.122 4.396 -0.274 18179 1654 1 3 . 1 1 99 99 SER C C 134 175.303 175.303 174.819 0.484 18179 1655 1 3 . 1 1 99 99 SER CA C 134 60.237 60.237 59.033 1.204 18179 1656 1 3 . 1 1 99 99 SER CB C 134 64.471 64.471 63.046 1.425 18179 1657 1 3 . 1 1 99 99 SER H H 134 8.154 8.154 8.076 0.078 18179 1658 1 3 . 1 1 100 100 LEU N N 135 118.112 118.112 115.262 2.850 18179 1659 1 3 . 1 1 100 100 LEU HA H 135 3.683 3.683 4.069 -0.386 18179 1660 1 3 . 1 1 100 100 LEU C C 135 175.886 175.886 175.514 0.372 18179 1661 1 3 . 1 1 100 100 LEU CA C 135 56.548 56.548 56.311 0.237 18179 1662 1 3 . 1 1 100 100 LEU CB C 135 36.922 36.922 39.419 -2.497 18179 1663 1 3 . 1 1 100 100 LEU H H 135 9.194 9.194 7.901 1.293 18179 1664 1 3 . 1 1 101 101 THR N N 136 116.048 116.048 113.564 2.484 18179 1665 1 3 . 1 1 101 101 THR HA H 136 4.191 4.191 4.491 -0.300 18179 1666 1 3 . 1 1 101 101 THR C C 136 173.771 173.771 173.635 0.136 18179 1667 1 3 . 1 1 101 101 THR CA C 136 62.123 62.123 60.862 1.261 18179 1668 1 3 . 1 1 101 101 THR CB C 136 70.407 70.407 71.969 -1.562 18179 1669 1 3 . 1 1 101 101 THR H H 136 7.022 7.022 7.387 -0.365 18179 1670 1 3 . 1 1 102 102 VAL N N 137 129.098 129.098 121.212 7.886 18179 1671 1 3 . 1 1 102 102 VAL HA H 137 3.874 3.874 4.241 -0.367 18179 1672 1 3 . 1 1 102 102 VAL C C 137 177.079 177.079 176.541 0.538 18179 1673 1 3 . 1 1 102 102 VAL CA C 137 64.163 64.163 62.850 1.313 18179 1674 1 3 . 1 1 102 102 VAL CB C 137 31.858 31.858 31.889 -0.031 18179 1675 1 3 . 1 1 102 102 VAL H H 137 9.039 9.039 8.289 0.750 18179 1676 1 3 . 1 1 103 103 ARG N N 138 128.421 128.421 126.247 2.174 18179 1677 1 3 . 1 1 103 103 ARG HA H 138 4.724 4.724 4.566 0.158 18179 1678 1 3 . 1 1 103 103 ARG C C 138 177.315 177.315 175.189 2.126 18179 1679 1 3 . 1 1 103 103 ARG CA C 138 50.845 50.845 54.678 -3.833 18179 1680 1 3 . 1 1 103 103 ARG CB C 138 25.210 25.210 31.185 -5.975 18179 1681 1 3 . 1 1 103 103 ARG H H 138 9.355 9.355 8.396 0.959 18179 1682 1 3 . 1 1 104 104 ALA N N 139 130.638 130.638 128.379 2.259 18179 1683 1 3 . 1 1 104 104 ALA HA H 139 4.128 4.128 4.315 -0.187 18179 1684 1 3 . 1 1 104 104 ALA C C 139 170.819 170.819 176.845 -6.026 18179 1685 1 3 . 1 1 104 104 ALA CA C 139 53.517 53.517 52.116 1.401 18179 1686 1 3 . 1 1 104 104 ALA CB C 139 18.047 18.047 19.345 -1.298 18179 1687 1 3 . 1 1 104 104 ALA H H 139 8.340 8.340 8.302 0.038 18179 1688 1 3 . 1 1 105 105 ASP N N 140 113.599 113.599 117.119 -3.520 18179 1689 1 3 . 1 1 105 105 ASP HA H 140 4.356 4.356 4.439 -0.083 18179 1690 1 3 . 1 1 105 105 ASP C C 140 175.173 175.173 175.128 0.045 18179 1691 1 3 . 1 1 105 105 ASP CA C 140 54.097 54.097 54.324 -0.227 18179 1692 1 3 . 1 1 105 105 ASP CB C 140 39.219 39.219 40.326 -1.107 18179 1693 1 3 . 1 1 105 105 ASP H H 140 9.653 9.653 8.235 1.418 18179 1694 1 3 . 1 1 106 106 ILE N N 141 122.867 122.867 121.590 1.277 18179 1695 1 3 . 1 1 106 106 ILE HA H 141 4.332 4.332 4.150 0.182 18179 1696 1 3 . 1 1 106 106 ILE C C 141 174.778 174.778 175.926 -1.148 18179 1697 1 3 . 1 1 106 106 ILE CA C 141 62.464 62.464 60.964 1.500 18179 1698 1 3 . 1 1 106 106 ILE CB C 141 36.210 36.210 37.215 -1.005 18179 1699 1 3 . 1 1 106 106 ILE H H 141 7.541 7.541 8.140 -0.599 18179 1700 1 3 . 1 1 107 107 THR N N 142 117.525 117.525 122.455 -4.930 18179 1701 1 3 . 1 1 107 107 THR HA H 142 4.721 4.721 4.579 0.142 18179 1702 1 3 . 1 1 107 107 THR C C 142 175.898 175.898 173.908 1.990 18179 1703 1 3 . 1 1 107 107 THR CA C 142 59.199 59.199 61.375 -2.176 18179 1704 1 3 . 1 1 107 107 THR CB C 142 71.817 71.817 70.824 0.993 18179 1705 1 3 . 1 1 107 107 THR H H 142 7.816 7.816 8.380 -0.564 18179 1706 1 3 . 1 1 108 108 GLY N N 143 109.853 109.853 112.204 -2.351 18179 1707 1 3 . 1 1 108 108 GLY C C 143 174.389 174.389 174.731 -0.342 18179 1708 1 3 . 1 1 108 108 GLY CA C 143 44.291 44.291 44.031 0.260 18179 1709 1 3 . 1 1 108 108 GLY H H 143 8.891 8.891 8.424 0.467 18179 1710 1 3 . 1 1 109 109 ARG N N 144 116.076 116.076 118.467 -2.391 18179 1711 1 3 . 1 1 109 109 ARG HA H 144 4.006 4.006 4.063 -0.057 18179 1712 1 3 . 1 1 109 109 ARG C C 144 176.521 176.521 175.519 1.002 18179 1713 1 3 . 1 1 109 109 ARG CA C 144 55.989 55.989 57.373 -1.384 18179 1714 1 3 . 1 1 109 109 ARG CB C 144 30.851 30.851 30.513 0.338 18179 1715 1 3 . 1 1 109 109 ARG H H 144 8.108 8.108 8.526 -0.418 18179 1716 1 3 . 1 1 110 110 TYR N N 145 123.010 123.010 116.119 6.891 18179 1717 1 3 . 1 1 110 110 TYR HA H 145 4.506 4.506 4.672 -0.166 18179 1718 1 3 . 1 1 110 110 TYR C C 145 178.395 178.395 175.325 3.070 18179 1719 1 3 . 1 1 110 110 TYR CA C 145 57.217 57.217 56.352 0.865 18179 1720 1 3 . 1 1 110 110 TYR CB C 145 37.232 37.232 40.748 -3.516 18179 1721 1 3 . 1 1 110 110 TYR H H 145 8.825 8.825 7.664 1.161 18179 1722 1 3 . 1 1 111 111 SER N N 146 120.152 120.152 116.765 3.387 18179 1723 1 3 . 1 1 111 111 SER HA H 146 3.948 3.948 4.505 -0.557 18179 1724 1 3 . 1 1 111 111 SER C C 146 174.939 174.939 174.215 0.724 18179 1725 1 3 . 1 1 111 111 SER CA C 146 60.850 60.850 59.117 1.733 18179 1726 1 3 . 1 1 111 111 SER CB C 146 62.776 62.776 63.602 -0.826 18179 1727 1 3 . 1 1 111 111 SER H H 146 8.616 8.616 8.907 -0.291 18179 1728 1 3 . 1 1 112 112 ASN N N 147 116.146 116.146 120.136 -3.990 18179 1729 1 3 . 1 1 112 112 ASN HA H 147 4.558 4.558 4.816 -0.258 18179 1730 1 3 . 1 1 112 112 ASN C C 147 173.693 173.693 175.238 -1.545 18179 1731 1 3 . 1 1 112 112 ASN CA C 147 53.209 53.209 53.770 -0.561 18179 1732 1 3 . 1 1 112 112 ASN CB C 147 37.534 37.534 38.902 -1.368 18179 1733 1 3 . 1 1 112 112 ASN H H 147 8.374 8.374 8.061 0.313 18179 1734 1 3 . 1 1 113 113 ARG N N 148 121.673 121.673 122.457 -0.784 18179 1735 1 3 . 1 1 113 113 ARG HA H 148 4.226 4.226 4.488 -0.262 18179 1736 1 3 . 1 1 113 113 ARG C C 148 176.358 176.358 175.471 0.887 18179 1737 1 3 . 1 1 113 113 ARG CA C 148 55.251 55.251 56.208 -0.957 18179 1738 1 3 . 1 1 113 113 ARG CB C 148 30.973 30.973 30.009 0.964 18179 1739 1 3 . 1 1 113 113 ARG H H 148 6.782 6.782 8.270 -1.488 18179 1740 1 3 . 1 1 114 114 LEU N N 149 125.966 125.966 123.922 2.044 18179 1741 1 3 . 1 1 114 114 LEU HA H 149 3.776 3.776 4.515 -0.739 18179 1742 1 3 . 1 1 114 114 LEU C C 149 175.787 175.787 177.126 -1.339 18179 1743 1 3 . 1 1 114 114 LEU CA C 149 57.640 57.640 54.947 2.693 18179 1744 1 3 . 1 1 114 114 LEU CB C 149 43.153 43.153 42.911 0.242 18179 1745 1 3 . 1 1 114 114 LEU H H 149 9.976 9.976 8.526 1.450 18179 1746 1 3 . 1 1 115 115 TYR N N 150 115.137 115.137 118.874 -3.737 18179 1747 1 3 . 1 1 115 115 TYR HA H 150 4.947 4.947 4.385 0.562 18179 1748 1 3 . 1 1 115 115 TYR C C 150 174.449 174.449 174.749 -0.300 18179 1749 1 3 . 1 1 115 115 TYR CA C 150 55.986 55.986 58.681 -2.695 18179 1750 1 3 . 1 1 115 115 TYR CB C 150 38.660 38.660 37.061 1.599 18179 1751 1 3 . 1 1 115 115 TYR H H 150 8.272 8.272 8.109 0.163 18179 1752 1 3 . 1 1 116 116 ALA N N 151 121.349 121.349 127.685 -6.336 18179 1753 1 3 . 1 1 116 116 ALA HA H 151 5.086 5.086 4.748 0.338 18179 1754 1 3 . 1 1 116 116 ALA C C 151 177.541 177.541 175.439 2.102 18179 1755 1 3 . 1 1 116 116 ALA CA C 151 51.614 51.614 51.252 0.362 18179 1756 1 3 . 1 1 116 116 ALA CB C 151 21.262 21.262 21.869 -0.607 18179 1757 1 3 . 1 1 116 116 ALA H H 151 7.515 7.515 8.161 -0.646 18179 1758 1 3 . 1 1 117 117 TYR N N 152 115.287 115.287 114.411 0.876 18179 1759 1 3 . 1 1 117 117 TYR HA H 152 4.693 4.693 4.832 -0.139 18179 1760 1 3 . 1 1 117 117 TYR C C 152 173.749 173.749 173.691 0.058 18179 1761 1 3 . 1 1 117 117 TYR CA C 152 58.142 58.142 58.184 -0.042 18179 1762 1 3 . 1 1 117 117 TYR CB C 152 42.827 42.827 39.579 3.248 18179 1763 1 3 . 1 1 117 117 TYR H H 152 6.916 6.916 9.616 -2.700 18179 1764 1 3 . 1 1 118 118 GLU N N 153 122.624 122.624 121.846 0.778 18179 1765 1 3 . 1 1 118 118 GLU HA H 153 4.951 4.951 4.558 0.393 18179 1766 1 3 . 1 1 118 118 GLU C C 153 175.895 175.895 175.413 0.482 18179 1767 1 3 . 1 1 118 118 GLU CA C 153 54.029 54.029 52.721 1.308 18179 1768 1 3 . 1 1 118 118 GLU CB C 153 29.513 29.513 30.527 -1.014 18179 1769 1 3 . 1 1 118 118 GLU H H 153 9.508 9.508 8.705 0.803 18179 1770 1 3 . 1 1 119 119 PRO HA H 154 4.119 4.119 4.208 -0.089 18179 1771 1 3 . 1 1 119 119 PRO C C 154 176.457 176.457 177.536 -1.079 18179 1772 1 3 . 1 1 119 119 PRO CA C 154 66.240 66.240 65.482 0.758 18179 1773 1 3 . 1 1 119 119 PRO CB C 154 31.682 31.682 31.611 0.071 18179 1774 1 3 . 1 1 120 120 ALA N N 155 114.721 114.721 120.092 -5.371 18179 1775 1 3 . 1 1 120 120 ALA HA H 155 4.372 4.372 4.240 0.132 18179 1776 1 3 . 1 1 120 120 ALA C C 155 178.528 178.528 177.903 0.625 18179 1777 1 3 . 1 1 120 120 ALA CA C 155 53.148 53.148 53.917 -0.769 18179 1778 1 3 . 1 1 120 120 ALA CB C 155 18.782 18.782 19.039 -0.257 18179 1779 1 3 . 1 1 120 120 ALA H H 155 7.697 7.697 8.054 -0.357 18179 1780 1 3 . 1 1 121 121 ASP N N 156 117.502 117.502 114.281 3.221 18179 1781 1 3 . 1 1 121 121 ASP HA H 156 5.154 5.154 4.738 0.416 18179 1782 1 3 . 1 1 121 121 ASP C C 156 176.756 176.756 176.661 0.095 18179 1783 1 3 . 1 1 121 121 ASP CA C 156 54.742 54.742 53.493 1.249 18179 1784 1 3 . 1 1 121 121 ASP CB C 156 42.326 42.326 40.969 1.357 18179 1785 1 3 . 1 1 121 121 ASP H H 156 8.493 8.493 7.731 0.762 18179 1786 1 3 . 1 1 122 122 THR N N 157 111.372 111.372 116.275 -4.903 18179 1787 1 3 . 1 1 122 122 THR HA H 157 3.738 3.738 4.178 -0.440 18179 1788 1 3 . 1 1 122 122 THR C C 157 176.023 176.023 175.520 0.503 18179 1789 1 3 . 1 1 122 122 THR CA C 157 66.673 66.673 65.043 1.630 18179 1790 1 3 . 1 1 122 122 THR CB C 157 67.967 67.967 68.822 -0.855 18179 1791 1 3 . 1 1 122 122 THR H H 157 7.428 7.428 7.521 -0.093 18179 1792 1 3 . 1 1 123 123 ALA N N 158 123.853 123.853 124.323 -0.470 18179 1793 1 3 . 1 1 123 123 ALA HA H 158 4.133 4.133 4.220 -0.087 18179 1794 1 3 . 1 1 123 123 ALA C C 158 179.987 179.987 179.589 0.398 18179 1795 1 3 . 1 1 123 123 ALA CA C 158 55.545 55.545 55.123 0.422 18179 1796 1 3 . 1 1 123 123 ALA CB C 158 17.458 17.458 17.966 -0.508 18179 1797 1 3 . 1 1 123 123 ALA H H 158 8.663 8.663 8.306 0.357 18179 1798 1 3 . 1 1 124 124 LEU N N 159 121.199 121.199 120.444 0.755 18179 1799 1 3 . 1 1 124 124 LEU HA H 159 4.229 4.229 4.240 -0.011 18179 1800 1 3 . 1 1 124 124 LEU C C 159 178.342 178.342 178.560 -0.218 18179 1801 1 3 . 1 1 124 124 LEU CA C 159 57.329 57.329 57.580 -0.251 18179 1802 1 3 . 1 1 124 124 LEU CB C 159 41.956 41.956 41.411 0.545 18179 1803 1 3 . 1 1 124 124 LEU H H 159 7.444 7.444 7.659 -0.215 18179 1804 1 3 . 1 1 125 125 LEU N N 160 119.836 119.836 120.516 -0.680 18179 1805 1 3 . 1 1 125 125 LEU HA H 160 3.963 3.963 4.085 -0.122 18179 1806 1 3 . 1 1 125 125 LEU C C 160 178.168 178.168 178.876 -0.708 18179 1807 1 3 . 1 1 125 125 LEU CA C 160 58.475 58.475 58.030 0.445 18179 1808 1 3 . 1 1 125 125 LEU CB C 160 40.915 40.915 40.930 -0.015 18179 1809 1 3 . 1 1 125 125 LEU H H 160 8.430 8.430 7.487 0.943 18179 1810 1 3 . 1 1 126 126 LEU N N 161 120.046 120.046 120.194 -0.148 18179 1811 1 3 . 1 1 126 126 LEU HA H 161 4.000 4.000 4.008 -0.008 18179 1812 1 3 . 1 1 126 126 LEU C C 161 178.848 178.848 178.363 0.485 18179 1813 1 3 . 1 1 126 126 LEU CA C 161 58.524 58.524 58.382 0.142 18179 1814 1 3 . 1 1 126 126 LEU CB C 161 42.005 42.005 41.598 0.407 18179 1815 1 3 . 1 1 126 126 LEU H H 161 8.127 8.127 8.566 -0.439 18179 1816 1 3 . 1 1 127 127 ASP N N 162 119.057 119.057 118.316 0.741 18179 1817 1 3 . 1 1 127 127 ASP HA H 162 4.267 4.267 4.287 -0.020 18179 1818 1 3 . 1 1 127 127 ASP C C 162 179.299 179.299 178.410 0.889 18179 1819 1 3 . 1 1 127 127 ASP CA C 162 57.699 57.699 57.575 0.124 18179 1820 1 3 . 1 1 127 127 ASP CB C 162 40.564 40.564 40.872 -0.308 18179 1821 1 3 . 1 1 127 127 ASP H H 162 7.872 7.872 7.984 -0.112 18179 1822 1 3 . 1 1 128 128 ASN N N 163 122.268 122.268 119.282 2.986 18179 1823 1 3 . 1 1 128 128 ASN HA H 163 4.423 4.423 4.456 -0.033 18179 1824 1 3 . 1 1 128 128 ASN C C 163 177.256 177.256 177.645 -0.389 18179 1825 1 3 . 1 1 128 128 ASN CA C 163 54.502 54.502 55.815 -1.313 18179 1826 1 3 . 1 1 128 128 ASN CB C 163 36.821 36.821 38.411 -1.590 18179 1827 1 3 . 1 1 128 128 ASN H H 163 8.711 8.711 8.216 0.495 18179 1828 1 3 . 1 1 129 129 MET N N 164 122.448 122.448 118.818 3.630 18179 1829 1 3 . 1 1 129 129 MET HA H 164 3.583 3.583 4.166 -0.583 18179 1830 1 3 . 1 1 129 129 MET C C 164 178.272 178.272 178.832 -0.560 18179 1831 1 3 . 1 1 129 129 MET CA C 164 59.617 59.617 57.944 1.673 18179 1832 1 3 . 1 1 129 129 MET CB C 164 34.481 34.481 31.693 2.788 18179 1833 1 3 . 1 1 129 129 MET H H 164 8.704 8.704 8.612 0.092 18179 1834 1 3 . 1 1 130 130 LYS N N 165 117.243 117.243 119.770 -2.527 18179 1835 1 3 . 1 1 130 130 LYS HA H 165 3.869 3.869 3.921 -0.052 18179 1836 1 3 . 1 1 130 130 LYS C C 165 180.050 180.050 178.763 1.287 18179 1837 1 3 . 1 1 130 130 LYS CA C 165 60.517 60.517 59.648 0.869 18179 1838 1 3 . 1 1 130 130 LYS CB C 165 31.836 31.836 32.275 -0.439 18179 1839 1 3 . 1 1 130 130 LYS H H 165 7.767 7.767 7.740 0.027 18179 1840 1 3 . 1 1 131 131 LYS N N 166 120.486 120.486 119.203 1.283 18179 1841 1 3 . 1 1 131 131 LYS HA H 166 3.853 3.853 3.969 -0.116 18179 1842 1 3 . 1 1 131 131 LYS C C 166 179.232 179.232 177.739 1.493 18179 1843 1 3 . 1 1 131 131 LYS CA C 166 60.171 60.171 58.844 1.327 18179 1844 1 3 . 1 1 131 131 LYS CB C 166 32.783 32.783 32.478 0.305 18179 1845 1 3 . 1 1 131 131 LYS H H 166 7.914 7.914 7.872 0.042 18179 1846 1 3 . 1 1 132 132 ALA N N 167 122.426 122.426 119.491 2.935 18179 1847 1 3 . 1 1 132 132 ALA HA H 167 3.625 3.625 3.452 0.173 18179 1848 1 3 . 1 1 132 132 ALA C C 167 177.616 177.616 179.135 -1.519 18179 1849 1 3 . 1 1 132 132 ALA CA C 167 54.246 54.246 53.852 0.394 18179 1850 1 3 . 1 1 132 132 ALA CB C 167 18.261 18.261 18.502 -0.241 18179 1851 1 3 . 1 1 132 132 ALA H H 167 7.801 7.801 8.016 -0.215 18179 1852 1 3 . 1 1 133 133 LEU N N 168 113.735 113.735 116.881 -3.146 18179 1853 1 3 . 1 1 133 133 LEU HA H 168 3.747 3.747 4.216 -0.469 18179 1854 1 3 . 1 1 133 133 LEU C C 168 177.322 177.322 175.345 1.977 18179 1855 1 3 . 1 1 133 133 LEU CA C 168 55.892 55.892 55.882 0.010 18179 1856 1 3 . 1 1 133 133 LEU CB C 168 42.159 42.159 42.095 0.064 18179 1857 1 3 . 1 1 133 133 LEU H H 168 7.010 7.010 7.294 -0.284 18179 1858 1 3 . 1 1 134 134 LYS N N 169 123.034 123.034 118.115 4.919 18179 1859 1 3 . 1 1 134 134 LYS HA H 169 4.331 4.331 4.418 -0.087 18179 1860 1 3 . 1 1 134 134 LYS C C 169 174.307 174.307 174.987 -0.680 18179 1861 1 3 . 1 1 134 134 LYS CA C 169 55.382 55.382 54.784 0.598 18179 1862 1 3 . 1 1 134 134 LYS CB C 169 29.718 29.718 33.180 -3.462 18179 1863 1 3 . 1 1 134 134 LYS H H 169 7.202 7.202 7.000 0.202 18179 1864 1 3 . 1 1 135 135 LEU N N 170 120.490 120.490 121.826 -1.336 18179 1865 1 3 . 1 1 135 135 LEU HA H 170 3.980 3.980 4.402 -0.422 18179 1866 1 3 . 1 1 135 135 LEU C C 170 178.427 178.427 177.108 1.319 18179 1867 1 3 . 1 1 135 135 LEU CA C 170 54.884 54.884 54.315 0.569 18179 1868 1 3 . 1 1 135 135 LEU CB C 170 40.903 40.903 42.426 -1.524 18179 1869 1 3 . 1 1 135 135 LEU H H 170 7.334 7.334 8.129 -0.795 18179 1870 1 3 . 1 1 136 136 LEU N N 171 120.084 120.084 119.345 0.739 18179 1871 1 3 . 1 1 136 136 LEU HA H 171 4.040 4.040 3.985 0.055 18179 1872 1 3 . 1 1 136 136 LEU C C 171 178.231 178.231 174.815 3.416 18179 1873 1 3 . 1 1 136 136 LEU CA C 171 55.750 55.750 55.538 0.212 18179 1874 1 3 . 1 1 136 136 LEU CB C 171 41.734 41.734 42.504 -0.770 18179 1875 1 3 . 1 1 136 136 LEU H H 171 8.614 8.614 8.331 0.283 18179 1876 1 3 . 1 1 137 137 LYS N N 172 121.059 121.059 123.918 -2.859 18179 1877 1 3 . 1 1 137 137 LYS HA H 172 4.333 4.333 4.624 -0.291 18179 1878 1 3 . 1 1 137 137 LYS C C 172 174.388 174.388 175.937 -1.549 18179 1879 1 3 . 1 1 137 137 LYS CA C 172 55.903 55.903 55.202 0.701 18179 1880 1 3 . 1 1 137 137 LYS CB C 172 32.681 32.681 34.110 -1.429 18179 1881 1 3 . 1 1 137 137 LYS H H 172 8.468 8.468 8.141 0.327 18179 1882 1 3 . 1 1 138 138 THR N N 173 116.267 116.267 116.619 -0.352 18179 1883 1 3 . 1 1 138 138 THR HA H 173 4.261 4.261 4.058 0.203 18179 1884 1 3 . 1 1 138 138 THR C C 173 174.267 174.267 173.679 0.588 18179 1885 1 3 . 1 1 138 138 THR CA C 173 61.867 61.867 62.537 -0.670 18179 1886 1 3 . 1 1 138 138 THR CB C 173 69.848 69.848 68.116 1.732 18179 1887 1 3 . 1 1 138 138 THR H H 173 8.095 8.095 8.522 -0.427 18179 1888 1 3 . 1 1 139 139 GLU N N 174 123.648 123.648 121.884 1.764 18179 1889 1 3 . 1 1 139 139 GLU HA H 174 4.288 4.288 4.333 -0.045 18179 1890 1 3 . 1 1 139 139 GLU C C 174 175.178 175.178 175.406 -0.228 18179 1891 1 3 . 1 1 139 139 GLU CA C 174 56.205 56.205 55.960 0.245 18179 1892 1 3 . 1 1 139 139 GLU CB C 174 30.353 30.353 30.709 -0.356 18179 1893 1 3 . 1 1 139 139 GLU H H 174 8.293 8.293 8.085 0.208 18179 1894 1 4 . 1 1 17 17 LEU N N 52 120.529 120.529 121.422 -0.893 18179 1895 1 4 . 1 1 17 17 LEU HA H 52 4.317 4.317 4.577 -0.260 18179 1896 1 4 . 1 1 17 17 LEU CA C 52 53.456 53.456 53.757 -0.301 18179 1897 1 4 . 1 1 17 17 LEU CB C 52 42.494 42.494 42.957 -0.463 18179 1898 1 4 . 1 1 17 17 LEU H H 52 7.103 7.103 8.080 -0.977 18179 1899 1 4 . 1 1 18 18 ILE CB C 53 36.458 36.458 36.392 0.066 18179 1900 1 4 . 1 1 23 23 TYR HA H 58 4.359 4.359 4.192 0.167 18179 1901 1 4 . 1 1 23 23 TYR C C 58 176.387 176.387 177.216 -0.829 18179 1902 1 4 . 1 1 23 23 TYR CA C 58 59.597 59.597 60.199 -0.602 18179 1903 1 4 . 1 1 23 23 TYR CB C 58 38.572 38.572 37.479 1.093 18179 1904 1 4 . 1 1 24 24 GLU N N 59 117.335 117.335 120.917 -3.582 18179 1905 1 4 . 1 1 24 24 GLU CA C 59 60.871 60.871 59.157 1.714 18179 1906 1 4 . 1 1 24 24 GLU CB C 59 28.494 28.494 28.885 -0.391 18179 1907 1 4 . 1 1 24 24 GLU H H 59 9.191 9.191 8.363 0.828 18179 1908 1 4 . 1 1 25 25 ALA N N 60 120.861 120.861 121.957 -1.096 18179 1909 1 4 . 1 1 25 25 ALA CA C 60 54.555 54.555 54.797 -0.242 18179 1910 1 4 . 1 1 25 25 ALA CB C 60 18.528 18.528 17.997 0.531 18179 1911 1 4 . 1 1 25 25 ALA H H 60 7.688 7.688 7.367 0.321 18179 1912 1 4 . 1 1 26 26 ALA N N 61 123.402 123.402 121.982 1.420 18179 1913 1 4 . 1 1 26 26 ALA HA H 61 3.900 3.900 4.112 -0.212 18179 1914 1 4 . 1 1 26 26 ALA CA C 61 55.346 55.346 55.121 0.225 18179 1915 1 4 . 1 1 26 26 ALA CB C 61 19.104 19.104 18.219 0.885 18179 1916 1 4 . 1 1 26 26 ALA H H 61 8.225 8.225 7.689 0.536 18179 1917 1 4 . 1 1 27 27 LEU N N 62 118.742 118.742 120.757 -2.015 18179 1918 1 4 . 1 1 27 27 LEU HA H 62 3.700 3.700 4.056 -0.356 18179 1919 1 4 . 1 1 27 27 LEU C C 62 171.911 171.911 178.595 -6.684 18179 1920 1 4 . 1 1 27 27 LEU CA C 62 57.654 57.654 58.105 -0.451 18179 1921 1 4 . 1 1 27 27 LEU CB C 62 41.905 41.905 41.011 0.894 18179 1922 1 4 . 1 1 27 27 LEU H H 62 8.336 8.336 8.158 0.178 18179 1923 1 4 . 1 1 28 28 TYR N N 63 117.594 117.594 119.958 -2.364 18179 1924 1 4 . 1 1 28 28 TYR HA H 63 4.007 4.007 3.987 0.020 18179 1925 1 4 . 1 1 28 28 TYR C C 63 179.075 179.075 177.715 1.360 18179 1926 1 4 . 1 1 28 28 TYR CA C 63 61.769 61.769 62.593 -0.824 18179 1927 1 4 . 1 1 28 28 TYR CB C 63 38.071 38.071 38.348 -0.277 18179 1928 1 4 . 1 1 28 28 TYR H H 63 7.279 7.279 8.532 -1.253 18179 1929 1 4 . 1 1 29 29 LYS N N 64 121.077 121.077 119.636 1.441 18179 1930 1 4 . 1 1 29 29 LYS HA H 64 3.663 3.663 3.973 -0.310 18179 1931 1 4 . 1 1 29 29 LYS C C 64 176.394 176.394 178.871 -2.477 18179 1932 1 4 . 1 1 29 29 LYS CA C 64 59.230 59.230 58.954 0.276 18179 1933 1 4 . 1 1 29 29 LYS CB C 64 32.573 32.573 31.844 0.729 18179 1934 1 4 . 1 1 29 29 LYS H H 64 8.472 8.472 8.470 0.002 18179 1935 1 4 . 1 1 30 30 SER N N 65 117.933 117.933 115.414 2.519 18179 1936 1 4 . 1 1 30 30 SER HA H 65 4.160 4.160 4.157 0.003 18179 1937 1 4 . 1 1 30 30 SER C C 65 176.518 176.518 176.239 0.279 18179 1938 1 4 . 1 1 30 30 SER CA C 65 61.706 61.706 62.625 -0.919 18179 1939 1 4 . 1 1 30 30 SER CB C 65 64.022 64.022 62.879 1.143 18179 1940 1 4 . 1 1 30 30 SER H H 65 8.500 8.500 8.450 0.050 18179 1941 1 4 . 1 1 31 31 LYS N N 66 117.248 117.248 121.346 -4.098 18179 1942 1 4 . 1 1 31 31 LYS HA H 66 4.301 4.301 4.090 0.211 18179 1943 1 4 . 1 1 31 31 LYS C C 66 179.721 179.721 177.914 1.807 18179 1944 1 4 . 1 1 31 31 LYS CA C 66 59.165 59.165 58.789 0.376 18179 1945 1 4 . 1 1 31 31 LYS CB C 66 32.372 32.372 32.084 0.288 18179 1946 1 4 . 1 1 31 31 LYS H H 66 8.020 8.020 7.711 0.309 18179 1947 1 4 . 1 1 32 32 THR N N 67 109.772 109.772 113.136 -3.364 18179 1948 1 4 . 1 1 32 32 THR HA H 67 3.883 3.883 4.184 -0.301 18179 1949 1 4 . 1 1 32 32 THR C C 67 176.237 176.237 175.801 0.436 18179 1950 1 4 . 1 1 32 32 THR CA C 67 64.813 64.813 64.692 0.121 18179 1951 1 4 . 1 1 32 32 THR CB C 67 69.445 69.445 68.921 0.523 18179 1952 1 4 . 1 1 32 32 THR H H 67 7.844 7.844 7.435 0.409 18179 1953 1 4 . 1 1 33 33 SER N N 68 115.610 115.610 116.004 -0.394 18179 1954 1 4 . 1 1 33 33 SER HA H 68 4.369 4.369 4.443 -0.074 18179 1955 1 4 . 1 1 33 33 SER C C 68 174.628 174.628 174.286 0.342 18179 1956 1 4 . 1 1 33 33 SER CA C 68 59.242 59.242 57.663 1.579 18179 1957 1 4 . 1 1 33 33 SER CB C 68 65.166 65.166 63.985 1.181 18179 1958 1 4 . 1 1 33 33 SER H H 68 8.047 8.047 7.833 0.214 18179 1959 1 4 . 1 1 34 34 ASN N N 69 110.215 110.215 118.386 -8.171 18179 1960 1 4 . 1 1 34 34 ASN HA H 69 4.181 4.181 4.363 -0.182 18179 1961 1 4 . 1 1 34 34 ASN C C 69 173.253 173.253 173.369 -0.116 18179 1962 1 4 . 1 1 34 34 ASN CA C 69 54.302 54.302 54.179 0.123 18179 1963 1 4 . 1 1 34 34 ASN CB C 69 38.506 38.506 37.212 1.294 18179 1964 1 4 . 1 1 34 34 ASN H H 69 8.061 8.061 7.913 0.148 18179 1965 1 4 . 1 1 35 35 LYS N N 70 117.312 117.312 119.316 -2.004 18179 1966 1 4 . 1 1 35 35 LYS HA H 70 4.676 4.676 4.867 -0.191 18179 1967 1 4 . 1 1 35 35 LYS CA C 70 53.385 53.385 53.406 -0.021 18179 1968 1 4 . 1 1 35 35 LYS CB C 70 34.049 34.049 34.322 -0.273 18179 1969 1 4 . 1 1 35 35 LYS H H 70 7.589 7.589 8.051 -0.462 18179 1970 1 4 . 1 1 36 36 PRO HA H 71 4.371 4.371 4.427 -0.056 18179 1971 1 4 . 1 1 36 36 PRO C C 71 172.189 172.189 175.673 -3.484 18179 1972 1 4 . 1 1 36 36 PRO CA C 71 62.356 62.356 63.340 -0.984 18179 1973 1 4 . 1 1 36 36 PRO CB C 71 31.785 31.785 32.252 -0.467 18179 1974 1 4 . 1 1 37 37 LEU N N 72 122.894 122.894 121.421 1.473 18179 1975 1 4 . 1 1 37 37 LEU HA H 72 5.392 5.392 4.958 0.434 18179 1976 1 4 . 1 1 37 37 LEU C C 72 174.422 174.422 175.010 -0.588 18179 1977 1 4 . 1 1 37 37 LEU CA C 72 52.656 52.656 54.018 -1.362 18179 1978 1 4 . 1 1 37 37 LEU CB C 72 45.220 45.220 45.484 -0.264 18179 1979 1 4 . 1 1 37 37 LEU H H 72 8.936 8.936 8.105 0.831 18179 1980 1 4 . 1 1 38 38 MET N N 73 128.922 128.922 124.934 3.988 18179 1981 1 4 . 1 1 38 38 MET C C 73 172.488 172.488 174.634 -2.146 18179 1982 1 4 . 1 1 38 38 MET CA C 73 54.806 54.806 54.527 0.279 18179 1983 1 4 . 1 1 38 38 MET CB C 73 35.127 35.127 36.229 -1.102 18179 1984 1 4 . 1 1 38 38 MET H H 73 8.965 8.965 8.251 0.714 18179 1985 1 4 . 1 1 39 39 ILE N N 74 124.016 124.016 125.819 -1.803 18179 1986 1 4 . 1 1 39 39 ILE HA H 74 4.819 4.819 4.540 0.279 18179 1987 1 4 . 1 1 39 39 ILE C C 74 175.018 175.018 173.996 1.022 18179 1988 1 4 . 1 1 39 39 ILE CA C 74 59.688 59.688 60.699 -1.011 18179 1989 1 4 . 1 1 39 39 ILE CB C 74 40.407 40.407 39.233 1.174 18179 1990 1 4 . 1 1 39 39 ILE H H 74 8.727 8.727 9.111 -0.384 18179 1991 1 4 . 1 1 40 40 ILE N N 75 126.837 126.837 127.556 -0.719 18179 1992 1 4 . 1 1 40 40 ILE HA H 75 4.038 4.038 5.505 -1.467 18179 1993 1 4 . 1 1 40 40 ILE C C 75 175.282 175.282 174.661 0.621 18179 1994 1 4 . 1 1 40 40 ILE CA C 75 60.408 60.408 59.831 0.577 18179 1995 1 4 . 1 1 40 40 ILE CB C 75 40.028 40.028 40.999 -0.971 18179 1996 1 4 . 1 1 40 40 ILE H H 75 8.587 8.587 8.742 -0.155 18179 1997 1 4 . 1 1 41 41 HIS N N 76 128.633 128.633 124.833 3.800 18179 1998 1 4 . 1 1 41 41 HIS CA C 76 56.453 56.453 54.690 1.763 18179 1999 1 4 . 1 1 41 41 HIS CB C 76 29.368 29.368 33.436 -4.068 18179 2000 1 4 . 1 1 41 41 HIS H H 76 9.145 9.145 8.211 0.934 18179 2001 1 4 . 1 1 42 42 HIS HA H 77 4.822 4.822 5.003 -0.181 18179 2002 1 4 . 1 1 42 42 HIS C C 77 170.942 170.942 172.749 -1.807 18179 2003 1 4 . 1 1 42 42 HIS CA C 77 54.441 54.441 54.556 -0.115 18179 2004 1 4 . 1 1 42 42 HIS CB C 77 34.768 34.768 32.388 2.380 18179 2005 1 4 . 1 1 43 43 LEU N N 78 114.526 114.526 119.540 -5.014 18179 2006 1 4 . 1 1 43 43 LEU HA H 78 4.540 4.540 4.521 0.019 18179 2007 1 4 . 1 1 43 43 LEU C C 78 177.855 177.855 177.043 0.812 18179 2008 1 4 . 1 1 43 43 LEU CA C 78 54.020 54.020 53.273 0.747 18179 2009 1 4 . 1 1 43 43 LEU CB C 78 46.643 46.643 44.999 1.644 18179 2010 1 4 . 1 1 43 43 LEU H H 78 7.077 7.077 8.479 -1.402 18179 2011 1 4 . 1 1 44 44 ASP N N 79 123.675 123.675 119.894 3.781 18179 2012 1 4 . 1 1 44 44 ASP HA H 79 4.452 4.452 4.668 -0.216 18179 2013 1 4 . 1 1 44 44 ASP C C 79 177.872 177.872 178.076 -0.204 18179 2014 1 4 . 1 1 44 44 ASP CA C 79 57.458 57.458 56.034 1.424 18179 2015 1 4 . 1 1 44 44 ASP CB C 79 40.739 40.739 41.464 -0.725 18179 2016 1 4 . 1 1 44 44 ASP H H 79 8.783 8.783 8.738 0.045 18179 2017 1 4 . 1 1 45 45 GLU N N 80 115.578 115.578 120.804 -5.226 18179 2018 1 4 . 1 1 45 45 GLU HA H 80 4.156 4.156 4.287 -0.132 18179 2019 1 4 . 1 1 45 45 GLU C C 80 175.108 175.108 175.455 -0.347 18179 2020 1 4 . 1 1 45 45 GLU CA C 80 56.661 56.661 56.475 0.186 18179 2021 1 4 . 1 1 45 45 GLU CB C 80 28.604 28.604 28.933 -0.329 18179 2022 1 4 . 1 1 45 45 GLU H H 80 9.146 9.146 8.986 0.160 18179 2023 1 4 . 1 1 46 46 CYS N N 81 125.642 125.642 118.014 7.628 18179 2024 1 4 . 1 1 46 46 CYS HA H 81 4.814 4.814 4.737 0.077 18179 2025 1 4 . 1 1 46 46 CYS C C 81 175.453 175.453 172.357 3.096 18179 2026 1 4 . 1 1 46 46 CYS CA C 81 56.298 56.298 55.128 1.170 18179 2027 1 4 . 1 1 46 46 CYS CB C 81 30.378 30.378 29.390 0.989 18179 2028 1 4 . 1 1 46 46 CYS H H 81 7.146 7.146 7.589 -0.443 18179 2029 1 4 . 1 1 47 47 PRO HA H 82 4.311 4.311 4.272 0.039 18179 2030 1 4 . 1 1 47 47 PRO CA C 82 64.536 64.536 63.662 0.874 18179 2031 1 4 . 1 1 47 47 PRO CB C 82 32.069 32.069 31.772 0.297 18179 2032 1 4 . 1 1 48 48 HIS N N 83 124.416 124.416 122.769 1.647 18179 2033 1 4 . 1 1 48 48 HIS HA H 83 4.511 4.511 4.422 0.089 18179 2034 1 4 . 1 1 48 48 HIS C C 83 178.820 178.820 177.111 1.709 18179 2035 1 4 . 1 1 48 48 HIS CA C 83 59.042 59.042 57.064 1.978 18179 2036 1 4 . 1 1 48 48 HIS CB C 83 28.921 28.921 30.333 -1.412 18179 2037 1 4 . 1 1 48 48 HIS H H 83 8.936 8.936 8.583 0.353 18179 2038 1 4 . 1 1 49 49 SER N N 84 129.973 129.973 119.442 10.531 18179 2039 1 4 . 1 1 49 49 SER HA H 84 4.152 4.152 4.090 0.062 18179 2040 1 4 . 1 1 49 49 SER C C 84 175.397 175.397 175.896 -0.499 18179 2041 1 4 . 1 1 49 49 SER CA C 84 63.873 63.873 61.345 2.528 18179 2042 1 4 . 1 1 49 49 SER CB C 84 65.516 65.516 62.528 2.988 18179 2043 1 4 . 1 1 49 49 SER H H 84 11.408 11.408 8.911 2.497 18179 2044 1 4 . 1 1 50 50 GLN N N 85 118.214 118.214 120.817 -2.603 18179 2045 1 4 . 1 1 50 50 GLN HA H 85 3.701 3.701 4.034 -0.333 18179 2046 1 4 . 1 1 50 50 GLN C C 85 178.213 178.213 177.838 0.375 18179 2047 1 4 . 1 1 50 50 GLN CA C 85 58.201 58.201 58.582 -0.381 18179 2048 1 4 . 1 1 50 50 GLN CB C 85 27.294 27.294 27.755 -0.461 18179 2049 1 4 . 1 1 50 50 GLN H H 85 8.192 8.192 8.125 0.067 18179 2050 1 4 . 1 1 51 51 ALA N N 86 121.790 121.790 122.001 -0.211 18179 2051 1 4 . 1 1 51 51 ALA HA H 86 4.099 4.099 4.194 -0.095 18179 2052 1 4 . 1 1 51 51 ALA C C 86 180.512 180.512 179.505 1.007 18179 2053 1 4 . 1 1 51 51 ALA CA C 86 54.742 54.742 54.512 0.230 18179 2054 1 4 . 1 1 51 51 ALA CB C 86 18.559 18.559 18.435 0.124 18179 2055 1 4 . 1 1 51 51 ALA H H 86 7.748 7.748 8.015 -0.267 18179 2056 1 4 . 1 1 52 52 LEU N N 87 118.528 118.528 119.329 -0.801 18179 2057 1 4 . 1 1 52 52 LEU HA H 87 4.076 4.076 4.232 -0.156 18179 2058 1 4 . 1 1 52 52 LEU CA C 87 57.266 57.266 56.985 0.281 18179 2059 1 4 . 1 1 52 52 LEU CB C 87 41.947 41.947 41.981 -0.034 18179 2060 1 4 . 1 1 52 52 LEU H H 87 7.918 7.918 7.529 0.389 18179 2061 1 4 . 1 1 53 53 LYS N N 88 120.398 120.398 119.977 0.421 18179 2062 1 4 . 1 1 53 53 LYS H H 88 7.932 7.932 8.493 -0.561 18179 2063 1 4 . 1 1 54 54 LYS N N 89 115.219 115.219 119.654 -4.435 18179 2064 1 4 . 1 1 54 54 LYS HA H 89 3.790 3.790 4.098 -0.308 18179 2065 1 4 . 1 1 54 54 LYS C C 89 178.614 178.614 178.970 -0.356 18179 2066 1 4 . 1 1 54 54 LYS CA C 89 59.308 59.308 58.826 0.482 18179 2067 1 4 . 1 1 54 54 LYS CB C 89 32.530 32.530 31.598 0.932 18179 2068 1 4 . 1 1 54 54 LYS H H 89 6.889 6.889 7.412 -0.523 18179 2069 1 4 . 1 1 55 55 VAL N N 90 110.991 110.991 119.236 -8.245 18179 2070 1 4 . 1 1 55 55 VAL HA H 90 4.049 4.049 3.594 0.455 18179 2071 1 4 . 1 1 55 55 VAL C C 90 178.054 178.054 178.077 -0.023 18179 2072 1 4 . 1 1 55 55 VAL CA C 90 64.467 64.467 66.376 -1.909 18179 2073 1 4 . 1 1 55 55 VAL CB C 90 31.625 31.625 31.648 -0.023 18179 2074 1 4 . 1 1 55 55 VAL H H 90 6.748 6.748 7.306 -0.558 18179 2075 1 4 . 1 1 56 56 PHE N N 91 124.010 124.010 116.664 7.346 18179 2076 1 4 . 1 1 56 56 PHE HA H 91 3.829 3.829 4.314 -0.485 18179 2077 1 4 . 1 1 56 56 PHE C C 91 177.496 177.496 176.726 0.770 18179 2078 1 4 . 1 1 56 56 PHE CA C 91 61.854 61.854 60.972 0.882 18179 2079 1 4 . 1 1 56 56 PHE CB C 91 41.828 41.828 38.747 3.081 18179 2080 1 4 . 1 1 56 56 PHE H H 91 8.722 8.722 7.800 0.922 18179 2081 1 4 . 1 1 57 57 ALA N N 92 118.444 118.444 118.849 -0.405 18179 2082 1 4 . 1 1 57 57 ALA HA H 92 4.185 4.185 4.365 -0.180 18179 2083 1 4 . 1 1 57 57 ALA C C 92 180.660 180.660 178.330 2.330 18179 2084 1 4 . 1 1 57 57 ALA CA C 92 54.288 54.288 53.346 0.942 18179 2085 1 4 . 1 1 57 57 ALA CB C 92 18.487 18.487 18.821 -0.334 18179 2086 1 4 . 1 1 57 57 ALA H H 92 8.695 8.695 7.399 1.296 18179 2087 1 4 . 1 1 58 58 GLU N N 93 112.263 112.263 117.507 -5.244 18179 2088 1 4 . 1 1 58 58 GLU HA H 93 4.156 4.156 4.380 -0.224 18179 2089 1 4 . 1 1 58 58 GLU C C 93 175.641 175.641 177.109 -1.468 18179 2090 1 4 . 1 1 58 58 GLU CA C 93 55.883 55.883 57.053 -1.170 18179 2091 1 4 . 1 1 58 58 GLU CB C 93 30.495 30.495 30.706 -0.210 18179 2092 1 4 . 1 1 58 58 GLU H H 93 7.108 7.108 7.831 -0.723 18179 2093 1 4 . 1 1 59 59 ASN N N 94 120.422 120.422 120.498 -0.076 18179 2094 1 4 . 1 1 59 59 ASN HA H 94 4.590 4.590 4.866 -0.276 18179 2095 1 4 . 1 1 59 59 ASN C C 94 174.151 174.151 174.771 -0.620 18179 2096 1 4 . 1 1 59 59 ASN CA C 94 54.056 54.056 52.398 1.658 18179 2097 1 4 . 1 1 59 59 ASN CB C 94 38.723 38.723 38.090 0.633 18179 2098 1 4 . 1 1 59 59 ASN H H 94 7.269 7.269 8.674 -1.405 18179 2099 1 4 . 1 1 60 60 LYS N N 95 127.497 127.497 124.626 2.871 18179 2100 1 4 . 1 1 60 60 LYS HA H 95 3.770 3.770 3.822 -0.052 18179 2101 1 4 . 1 1 60 60 LYS C C 95 178.959 178.959 177.665 1.294 18179 2102 1 4 . 1 1 60 60 LYS CA C 95 59.337 59.337 60.610 -1.273 18179 2103 1 4 . 1 1 60 60 LYS CB C 95 32.170 32.170 32.655 -0.485 18179 2104 1 4 . 1 1 60 60 LYS H H 95 8.672 8.672 7.943 0.729 18179 2105 1 4 . 1 1 61 61 GLU N N 96 119.409 119.409 118.231 1.178 18179 2106 1 4 . 1 1 61 61 GLU HA H 96 3.984 3.984 4.085 -0.101 18179 2107 1 4 . 1 1 61 61 GLU C C 96 179.574 179.574 179.168 0.406 18179 2108 1 4 . 1 1 61 61 GLU CA C 96 59.955 59.955 59.085 0.870 18179 2109 1 4 . 1 1 61 61 GLU CB C 96 29.246 29.246 29.291 -0.045 18179 2110 1 4 . 1 1 61 61 GLU H H 96 7.988 7.988 8.580 -0.592 18179 2111 1 4 . 1 1 62 62 ILE N N 97 122.621 122.621 120.155 2.466 18179 2112 1 4 . 1 1 62 62 ILE HA H 97 3.224 3.224 3.859 -0.635 18179 2113 1 4 . 1 1 62 62 ILE C C 97 177.158 177.158 178.044 -0.886 18179 2114 1 4 . 1 1 62 62 ILE CA C 97 65.787 65.787 64.207 1.580 18179 2115 1 4 . 1 1 62 62 ILE CB C 97 37.710 37.710 38.036 -0.326 18179 2116 1 4 . 1 1 62 62 ILE H H 97 8.484 8.484 7.550 0.934 18179 2117 1 4 . 1 1 63 63 GLN N N 98 115.619 115.619 120.068 -4.449 18179 2118 1 4 . 1 1 63 63 GLN HA H 98 3.481 3.481 4.174 -0.693 18179 2119 1 4 . 1 1 63 63 GLN C C 98 178.097 178.097 178.354 -0.257 18179 2120 1 4 . 1 1 63 63 GLN CA C 98 58.601 58.601 59.669 -1.068 18179 2121 1 4 . 1 1 63 63 GLN CB C 98 28.834 28.834 28.703 0.131 18179 2122 1 4 . 1 1 63 63 GLN H H 98 8.046 8.046 8.516 -0.470 18179 2123 1 4 . 1 1 64 64 LYS N N 99 116.464 116.464 118.590 -2.126 18179 2124 1 4 . 1 1 64 64 LYS HA H 99 4.125 4.125 4.121 0.004 18179 2125 1 4 . 1 1 64 64 LYS C C 99 179.740 179.740 178.995 0.745 18179 2126 1 4 . 1 1 64 64 LYS CA C 99 57.955 57.955 58.951 -0.996 18179 2127 1 4 . 1 1 64 64 LYS CB C 99 32.054 32.054 32.369 -0.315 18179 2128 1 4 . 1 1 64 64 LYS H H 99 7.578 7.578 7.961 -0.383 18179 2129 1 4 . 1 1 65 65 LEU N N 100 122.576 122.576 120.333 2.243 18179 2130 1 4 . 1 1 65 65 LEU HA H 100 4.128 4.128 4.356 -0.228 18179 2131 1 4 . 1 1 65 65 LEU C C 100 178.481 178.481 179.176 -0.695 18179 2132 1 4 . 1 1 65 65 LEU CA C 100 57.044 57.044 57.438 -0.394 18179 2133 1 4 . 1 1 65 65 LEU CB C 100 41.883 41.883 41.971 -0.089 18179 2134 1 4 . 1 1 65 65 LEU H H 100 7.916 7.916 7.518 0.398 18179 2135 1 4 . 1 1 66 66 ALA N N 101 119.534 119.534 120.151 -0.617 18179 2136 1 4 . 1 1 66 66 ALA HA H 101 3.810 3.810 4.571 -0.761 18179 2137 1 4 . 1 1 66 66 ALA C C 101 177.520 177.520 178.192 -0.672 18179 2138 1 4 . 1 1 66 66 ALA CA C 101 54.772 54.772 54.187 0.585 18179 2139 1 4 . 1 1 66 66 ALA CB C 101 17.737 17.737 18.541 -0.804 18179 2140 1 4 . 1 1 66 66 ALA H H 101 8.511 8.511 7.833 0.678 18179 2141 1 4 . 1 1 67 67 GLU N N 102 113.081 113.081 117.397 -4.316 18179 2142 1 4 . 1 1 67 67 GLU HA H 102 4.113 4.113 4.137 -0.024 18179 2143 1 4 . 1 1 67 67 GLU C C 102 178.295 178.295 177.989 0.306 18179 2144 1 4 . 1 1 67 67 GLU CA C 102 58.285 58.285 58.810 -0.525 18179 2145 1 4 . 1 1 67 67 GLU CB C 102 29.952 29.952 29.778 0.174 18179 2146 1 4 . 1 1 67 67 GLU H H 102 7.039 7.039 7.671 -0.632 18179 2147 1 4 . 1 1 68 68 GLN N N 103 116.244 116.244 116.538 -0.294 18179 2148 1 4 . 1 1 68 68 GLN HA H 103 4.107 4.107 4.129 -0.022 18179 2149 1 4 . 1 1 68 68 GLN C C 103 173.173 173.173 176.417 -3.244 18179 2150 1 4 . 1 1 68 68 GLN CA C 103 56.094 56.094 56.691 -0.596 18179 2151 1 4 . 1 1 68 68 GLN CB C 103 28.703 28.703 29.059 -0.356 18179 2152 1 4 . 1 1 68 68 GLN H H 103 8.167 8.167 7.405 0.762 18179 2153 1 4 . 1 1 69 69 PHE N N 104 116.822 116.822 117.597 -0.775 18179 2154 1 4 . 1 1 69 69 PHE HA H 104 4.645 4.645 4.593 0.052 18179 2155 1 4 . 1 1 69 69 PHE C C 104 177.346 177.346 176.289 1.057 18179 2156 1 4 . 1 1 69 69 PHE CA C 104 57.254 57.254 57.549 -0.295 18179 2157 1 4 . 1 1 69 69 PHE CB C 104 40.897 40.897 41.048 -0.151 18179 2158 1 4 . 1 1 69 69 PHE H H 104 7.633 7.633 7.306 0.327 18179 2159 1 4 . 1 1 70 70 VAL N N 105 120.799 120.799 121.310 -0.511 18179 2160 1 4 . 1 1 70 70 VAL HA H 105 3.867 3.867 4.124 -0.257 18179 2161 1 4 . 1 1 70 70 VAL C C 105 174.191 174.191 174.933 -0.742 18179 2162 1 4 . 1 1 70 70 VAL CA C 105 63.450 63.450 62.697 0.753 18179 2163 1 4 . 1 1 70 70 VAL CB C 105 31.566 31.566 32.483 -0.917 18179 2164 1 4 . 1 1 70 70 VAL H H 105 8.943 8.943 8.709 0.234 18179 2165 1 4 . 1 1 71 71 LEU N N 106 129.105 129.105 126.830 2.275 18179 2166 1 4 . 1 1 71 71 LEU HA H 106 4.850 4.850 4.675 0.175 18179 2167 1 4 . 1 1 71 71 LEU CA C 106 53.854 53.854 54.101 -0.247 18179 2168 1 4 . 1 1 71 71 LEU CB C 106 44.478 44.478 45.884 -1.406 18179 2169 1 4 . 1 1 71 71 LEU H H 106 8.432 8.432 8.372 0.060 18179 2170 1 4 . 1 1 72 72 LEU N N 107 123.682 123.682 126.458 -2.776 18179 2171 1 4 . 1 1 72 72 LEU H H 107 8.298 8.298 7.954 0.344 18179 2172 1 4 . 1 1 73 73 ASN N N 108 125.520 125.520 123.690 1.830 18179 2173 1 4 . 1 1 73 73 ASN CA C 108 51.631 51.631 52.882 -1.251 18179 2174 1 4 . 1 1 73 73 ASN CB C 108 41.484 41.484 38.387 3.097 18179 2175 1 4 . 1 1 73 73 ASN H H 108 9.761 9.761 8.913 0.848 18179 2176 1 4 . 1 1 74 74 LEU N N 109 122.070 122.070 125.970 -3.900 18179 2177 1 4 . 1 1 74 74 LEU H H 109 8.563 8.563 7.870 0.693 18179 2178 1 4 . 1 1 75 75 VAL HA H 110 5.100 5.100 4.143 0.957 18179 2179 1 4 . 1 1 75 75 VAL CA C 110 59.157 59.157 62.345 -3.188 18179 2180 1 4 . 1 1 76 76 TYR N N 111 120.641 120.641 125.301 -4.660 18179 2181 1 4 . 1 1 76 76 TYR HA H 111 4.569 4.569 4.727 -0.158 18179 2182 1 4 . 1 1 76 76 TYR C C 111 175.393 175.393 174.550 0.843 18179 2183 1 4 . 1 1 76 76 TYR CA C 111 57.736 57.736 56.535 1.202 18179 2184 1 4 . 1 1 76 76 TYR CB C 111 39.426 39.426 42.405 -2.979 18179 2185 1 4 . 1 1 76 76 TYR H H 111 8.255 8.255 8.007 0.248 18179 2186 1 4 . 1 1 79 79 THR HA H 114 4.180 4.180 4.341 -0.161 18179 2187 1 4 . 1 1 79 79 THR CA C 114 61.295 61.295 61.244 0.051 18179 2188 1 4 . 1 1 79 79 THR CB C 114 68.683 68.683 70.260 -1.577 18179 2189 1 4 . 1 1 80 80 ASP N N 115 121.026 121.026 128.524 -7.498 18179 2190 1 4 . 1 1 80 80 ASP C C 115 177.959 177.959 176.183 1.776 18179 2191 1 4 . 1 1 80 80 ASP CA C 115 53.276 53.276 53.032 0.244 18179 2192 1 4 . 1 1 80 80 ASP H H 115 7.746 7.746 8.423 -0.677 18179 2193 1 4 . 1 1 81 81 LYS N N 116 129.056 129.056 125.361 3.695 18179 2194 1 4 . 1 1 81 81 LYS HA H 116 3.828 3.828 4.376 -0.548 18179 2195 1 4 . 1 1 81 81 LYS C C 116 179.118 179.118 178.091 1.027 18179 2196 1 4 . 1 1 81 81 LYS CA C 116 57.957 57.957 57.561 0.396 18179 2197 1 4 . 1 1 81 81 LYS CB C 116 31.273 31.273 32.455 -1.182 18179 2198 1 4 . 1 1 81 81 LYS H H 116 8.873 8.873 8.848 0.025 18179 2199 1 4 . 1 1 82 82 HIS N N 117 116.887 116.887 118.393 -1.506 18179 2200 1 4 . 1 1 82 82 HIS HA H 117 4.290 4.290 4.422 -0.132 18179 2201 1 4 . 1 1 82 82 HIS C C 117 175.622 175.622 177.209 -1.587 18179 2202 1 4 . 1 1 82 82 HIS CA C 117 57.865 57.865 58.553 -0.688 18179 2203 1 4 . 1 1 82 82 HIS CB C 117 27.704 27.704 30.416 -2.712 18179 2204 1 4 . 1 1 82 82 HIS H H 117 8.707 8.707 8.537 0.170 18179 2205 1 4 . 1 1 83 83 LEU N N 118 113.733 113.733 119.462 -5.729 18179 2206 1 4 . 1 1 83 83 LEU HA H 118 4.290 4.290 4.181 0.109 18179 2207 1 4 . 1 1 83 83 LEU C C 118 175.949 175.949 177.213 -1.264 18179 2208 1 4 . 1 1 83 83 LEU CA C 118 53.982 53.982 57.380 -3.398 18179 2209 1 4 . 1 1 83 83 LEU CB C 118 41.734 41.734 43.027 -1.293 18179 2210 1 4 . 1 1 83 83 LEU H H 118 7.332 7.332 7.894 -0.562 18179 2211 1 4 . 1 1 84 84 SER N N 119 111.979 111.979 110.315 1.664 18179 2212 1 4 . 1 1 84 84 SER HA H 119 4.632 4.632 4.813 -0.181 18179 2213 1 4 . 1 1 84 84 SER C C 119 173.830 173.830 172.460 1.370 18179 2214 1 4 . 1 1 84 84 SER CA C 119 55.581 55.581 54.789 0.792 18179 2215 1 4 . 1 1 84 84 SER CB C 119 62.367 62.367 64.496 -2.128 18179 2216 1 4 . 1 1 84 84 SER H H 119 7.268 7.268 7.449 -0.181 18179 2217 1 4 . 1 1 85 85 PRO HA H 120 4.384 4.384 4.569 -0.185 18179 2218 1 4 . 1 1 85 85 PRO C C 120 177.881 177.881 176.928 0.953 18179 2219 1 4 . 1 1 85 85 PRO CA C 120 65.292 65.292 64.353 0.939 18179 2220 1 4 . 1 1 85 85 PRO CB C 120 31.942 31.942 32.077 -0.135 18179 2221 1 4 . 1 1 86 86 ASP N N 121 117.614 117.614 118.350 -0.736 18179 2222 1 4 . 1 1 86 86 ASP HA H 121 4.960 4.960 4.924 0.036 18179 2223 1 4 . 1 1 86 86 ASP C C 121 174.734 174.734 176.131 -1.397 18179 2224 1 4 . 1 1 86 86 ASP CA C 121 51.999 51.999 53.446 -1.447 18179 2225 1 4 . 1 1 86 86 ASP CB C 121 40.327 40.327 41.211 -0.884 18179 2226 1 4 . 1 1 86 86 ASP H H 121 8.882 8.882 7.653 1.229 18179 2227 1 4 . 1 1 87 87 GLY N N 122 106.815 106.815 107.023 -0.208 18179 2228 1 4 . 1 1 87 87 GLY C C 122 173.401 173.401 175.610 -2.209 18179 2229 1 4 . 1 1 87 87 GLY CA C 122 43.814 43.814 45.309 -1.495 18179 2230 1 4 . 1 1 87 87 GLY H H 122 6.973 6.973 7.663 -0.690 18179 2231 1 4 . 1 1 88 88 GLN N N 123 118.319 118.319 119.905 -1.586 18179 2232 1 4 . 1 1 88 88 GLN HA H 123 3.984 3.984 4.132 -0.148 18179 2233 1 4 . 1 1 88 88 GLN C C 123 174.141 174.141 176.087 -1.946 18179 2234 1 4 . 1 1 88 88 GLN CA C 123 54.717 54.717 57.062 -2.345 18179 2235 1 4 . 1 1 88 88 GLN CB C 123 27.267 27.267 28.030 -0.763 18179 2236 1 4 . 1 1 88 88 GLN H H 123 8.224 8.224 8.477 -0.253 18179 2237 1 4 . 1 1 89 89 TYR N N 124 117.220 117.220 117.737 -0.517 18179 2238 1 4 . 1 1 89 89 TYR HA H 124 4.596 4.596 4.454 0.142 18179 2239 1 4 . 1 1 89 89 TYR C C 124 173.402 173.402 176.676 -3.274 18179 2240 1 4 . 1 1 89 89 TYR CA C 124 54.672 54.672 57.792 -3.120 18179 2241 1 4 . 1 1 89 89 TYR CB C 124 38.970 38.970 38.472 0.498 18179 2242 1 4 . 1 1 89 89 TYR H H 124 5.954 5.954 7.516 -1.562 18179 2243 1 4 . 1 1 90 90 VAL N N 125 109.249 109.249 120.226 -10.977 18179 2244 1 4 . 1 1 90 90 VAL HA H 125 4.572 4.572 3.841 0.731 18179 2245 1 4 . 1 1 90 90 VAL C C 125 173.254 173.254 174.726 -1.472 18179 2246 1 4 . 1 1 90 90 VAL CA C 125 57.982 57.982 63.613 -5.631 18179 2247 1 4 . 1 1 90 90 VAL CB C 125 35.376 35.376 31.539 3.837 18179 2248 1 4 . 1 1 90 90 VAL H H 125 8.303 8.303 8.459 -0.156 18179 2249 1 4 . 1 1 92 92 ARG HA H 127 5.178 5.178 4.248 0.930 18179 2250 1 4 . 1 1 92 92 ARG CA C 127 55.689 55.689 55.914 -0.225 18179 2251 1 4 . 1 1 93 93 ILE N N 128 127.696 127.696 125.279 2.417 18179 2252 1 4 . 1 1 93 93 ILE HA H 128 5.088 5.088 4.069 1.019 18179 2253 1 4 . 1 1 93 93 ILE CA C 128 61.063 61.063 60.669 0.394 18179 2254 1 4 . 1 1 93 93 ILE CB C 128 39.101 39.101 37.159 1.942 18179 2255 1 4 . 1 1 93 93 ILE H H 128 9.099 9.099 8.279 0.820 18179 2256 1 4 . 1 1 94 94 MET N N 129 122.683 122.683 125.867 -3.184 18179 2257 1 4 . 1 1 94 94 MET C C 129 174.006 174.006 173.833 0.173 18179 2258 1 4 . 1 1 94 94 MET CA C 129 51.503 51.503 53.721 -2.218 18179 2259 1 4 . 1 1 94 94 MET CB C 129 34.764 34.764 36.613 -1.849 18179 2260 1 4 . 1 1 94 94 MET H H 129 8.496 8.496 8.574 -0.078 18179 2261 1 4 . 1 1 95 95 PHE N N 130 118.014 118.014 118.565 -0.551 18179 2262 1 4 . 1 1 95 95 PHE HA H 130 5.589 5.589 4.756 0.833 18179 2263 1 4 . 1 1 95 95 PHE C C 130 174.811 174.811 174.173 0.638 18179 2264 1 4 . 1 1 95 95 PHE CA C 130 56.432 56.432 55.518 0.914 18179 2265 1 4 . 1 1 95 95 PHE CB C 130 41.941 41.941 40.699 1.242 18179 2266 1 4 . 1 1 95 95 PHE H H 130 8.573 8.573 7.873 0.700 18179 2267 1 4 . 1 1 96 96 VAL N N 131 122.847 122.847 117.843 5.004 18179 2268 1 4 . 1 1 96 96 VAL HA H 131 4.337 4.337 4.537 -0.200 18179 2269 1 4 . 1 1 96 96 VAL C C 131 174.303 174.303 174.425 -0.122 18179 2270 1 4 . 1 1 96 96 VAL CA C 131 61.405 61.405 59.256 2.149 18179 2271 1 4 . 1 1 96 96 VAL CB C 131 34.679 34.679 35.534 -0.855 18179 2272 1 4 . 1 1 96 96 VAL H H 131 9.855 9.855 8.865 0.990 18179 2273 1 4 . 1 1 97 97 ASP N N 132 128.042 128.042 121.320 6.722 18179 2274 1 4 . 1 1 97 97 ASP HA H 132 4.883 4.883 5.268 -0.385 18179 2275 1 4 . 1 1 97 97 ASP C C 132 174.958 174.958 176.221 -1.263 18179 2276 1 4 . 1 1 97 97 ASP CA C 132 53.082 53.082 51.697 1.385 18179 2277 1 4 . 1 1 97 97 ASP CB C 132 45.484 45.484 42.234 3.250 18179 2278 1 4 . 1 1 97 97 ASP H H 132 8.399 8.399 8.620 -0.221 18179 2279 1 4 . 1 1 98 98 PRO HA H 133 4.566 4.566 4.364 0.202 18179 2280 1 4 . 1 1 98 98 PRO C C 133 175.650 175.650 176.654 -1.004 18179 2281 1 4 . 1 1 98 98 PRO CA C 133 65.207 65.207 64.261 0.946 18179 2282 1 4 . 1 1 98 98 PRO CB C 133 31.858 31.858 31.746 0.112 18179 2283 1 4 . 1 1 99 99 SER N N 134 111.171 111.171 112.799 -1.628 18179 2284 1 4 . 1 1 99 99 SER HA H 134 4.122 4.122 4.392 -0.270 18179 2285 1 4 . 1 1 99 99 SER C C 134 175.303 175.303 174.653 0.650 18179 2286 1 4 . 1 1 99 99 SER CA C 134 60.237 60.237 59.678 0.559 18179 2287 1 4 . 1 1 99 99 SER CB C 134 64.471 64.471 63.117 1.354 18179 2288 1 4 . 1 1 99 99 SER H H 134 8.154 8.154 8.573 -0.419 18179 2289 1 4 . 1 1 100 100 LEU N N 135 118.112 118.112 116.265 1.847 18179 2290 1 4 . 1 1 100 100 LEU HA H 135 3.683 3.683 4.029 -0.346 18179 2291 1 4 . 1 1 100 100 LEU C C 135 175.886 175.886 176.186 -0.300 18179 2292 1 4 . 1 1 100 100 LEU CA C 135 56.548 56.548 56.019 0.529 18179 2293 1 4 . 1 1 100 100 LEU CB C 135 36.922 36.922 40.373 -3.450 18179 2294 1 4 . 1 1 100 100 LEU H H 135 9.194 9.194 8.155 1.039 18179 2295 1 4 . 1 1 101 101 THR N N 136 116.048 116.048 111.177 4.871 18179 2296 1 4 . 1 1 101 101 THR HA H 136 4.191 4.191 4.494 -0.303 18179 2297 1 4 . 1 1 101 101 THR C C 136 173.771 173.771 172.542 1.229 18179 2298 1 4 . 1 1 101 101 THR CA C 136 62.123 62.123 61.035 1.088 18179 2299 1 4 . 1 1 101 101 THR CB C 136 70.407 70.407 70.100 0.307 18179 2300 1 4 . 1 1 101 101 THR H H 136 7.022 7.022 7.494 -0.472 18179 2301 1 4 . 1 1 102 102 VAL N N 137 129.098 129.098 120.101 8.997 18179 2302 1 4 . 1 1 102 102 VAL HA H 137 3.874 3.874 4.668 -0.794 18179 2303 1 4 . 1 1 102 102 VAL C C 137 177.079 177.079 175.282 1.797 18179 2304 1 4 . 1 1 102 102 VAL CA C 137 64.163 64.163 60.538 3.625 18179 2305 1 4 . 1 1 102 102 VAL CB C 137 31.858 31.858 33.659 -1.801 18179 2306 1 4 . 1 1 102 102 VAL H H 137 9.039 9.039 8.406 0.633 18179 2307 1 4 . 1 1 103 103 ARG N N 138 128.421 128.421 129.386 -0.965 18179 2308 1 4 . 1 1 103 103 ARG HA H 138 4.724 4.724 4.257 0.467 18179 2309 1 4 . 1 1 103 103 ARG C C 138 177.315 177.315 175.752 1.563 18179 2310 1 4 . 1 1 103 103 ARG CA C 138 50.845 50.845 55.176 -4.331 18179 2311 1 4 . 1 1 103 103 ARG CB C 138 25.210 25.210 28.234 -3.024 18179 2312 1 4 . 1 1 103 103 ARG H H 138 9.355 9.355 8.447 0.908 18179 2313 1 4 . 1 1 104 104 ALA N N 139 130.638 130.638 124.759 5.879 18179 2314 1 4 . 1 1 104 104 ALA HA H 139 4.128 4.128 4.066 0.062 18179 2315 1 4 . 1 1 104 104 ALA C C 139 170.819 170.819 177.212 -6.393 18179 2316 1 4 . 1 1 104 104 ALA CA C 139 53.517 53.517 53.053 0.464 18179 2317 1 4 . 1 1 104 104 ALA CB C 139 18.047 18.047 17.565 0.482 18179 2318 1 4 . 1 1 104 104 ALA H H 139 8.340 8.340 8.334 0.006 18179 2319 1 4 . 1 1 105 105 ASP N N 140 113.599 113.599 116.076 -2.477 18179 2320 1 4 . 1 1 105 105 ASP HA H 140 4.356 4.356 4.458 -0.102 18179 2321 1 4 . 1 1 105 105 ASP C C 140 175.173 175.173 175.815 -0.642 18179 2322 1 4 . 1 1 105 105 ASP CA C 140 54.097 54.097 55.651 -1.554 18179 2323 1 4 . 1 1 105 105 ASP CB C 140 39.219 39.219 41.080 -1.861 18179 2324 1 4 . 1 1 105 105 ASP H H 140 9.653 9.653 8.476 1.177 18179 2325 1 4 . 1 1 106 106 ILE N N 141 122.867 122.867 120.136 2.731 18179 2326 1 4 . 1 1 106 106 ILE HA H 141 4.332 4.332 4.264 0.068 18179 2327 1 4 . 1 1 106 106 ILE C C 141 174.778 174.778 175.594 -0.816 18179 2328 1 4 . 1 1 106 106 ILE CA C 141 62.464 62.464 61.780 0.684 18179 2329 1 4 . 1 1 106 106 ILE CB C 141 36.210 36.210 37.602 -1.392 18179 2330 1 4 . 1 1 106 106 ILE H H 141 7.541 7.541 7.853 -0.312 18179 2331 1 4 . 1 1 107 107 THR N N 142 117.525 117.525 121.562 -4.037 18179 2332 1 4 . 1 1 107 107 THR HA H 142 4.721 4.721 4.702 0.019 18179 2333 1 4 . 1 1 107 107 THR C C 142 175.898 175.898 174.316 1.582 18179 2334 1 4 . 1 1 107 107 THR CA C 142 59.199 59.199 60.563 -1.364 18179 2335 1 4 . 1 1 107 107 THR CB C 142 71.817 71.817 70.721 1.096 18179 2336 1 4 . 1 1 107 107 THR H H 142 7.816 7.816 8.307 -0.491 18179 2337 1 4 . 1 1 108 108 GLY N N 143 109.853 109.853 114.660 -4.807 18179 2338 1 4 . 1 1 108 108 GLY C C 143 174.389 174.389 174.042 0.347 18179 2339 1 4 . 1 1 108 108 GLY CA C 143 44.291 44.291 46.100 -1.809 18179 2340 1 4 . 1 1 108 108 GLY H H 143 8.891 8.891 8.474 0.417 18179 2341 1 4 . 1 1 109 109 ARG N N 144 116.076 116.076 118.473 -2.397 18179 2342 1 4 . 1 1 109 109 ARG HA H 144 4.006 4.006 4.382 -0.376 18179 2343 1 4 . 1 1 109 109 ARG C C 144 176.521 176.521 174.427 2.094 18179 2344 1 4 . 1 1 109 109 ARG CA C 144 55.989 55.989 56.156 -0.167 18179 2345 1 4 . 1 1 109 109 ARG CB C 144 30.851 30.851 30.291 0.560 18179 2346 1 4 . 1 1 109 109 ARG H H 144 8.108 8.108 7.775 0.333 18179 2347 1 4 . 1 1 110 110 TYR N N 145 123.010 123.010 122.740 0.270 18179 2348 1 4 . 1 1 110 110 TYR HA H 145 4.506 4.506 4.520 -0.014 18179 2349 1 4 . 1 1 110 110 TYR C C 145 178.395 178.395 175.714 2.681 18179 2350 1 4 . 1 1 110 110 TYR CA C 145 57.217 57.217 58.048 -0.832 18179 2351 1 4 . 1 1 110 110 TYR CB C 145 37.232 37.232 38.084 -0.852 18179 2352 1 4 . 1 1 110 110 TYR H H 145 8.825 8.825 8.576 0.249 18179 2353 1 4 . 1 1 111 111 SER N N 146 120.152 120.152 119.000 1.152 18179 2354 1 4 . 1 1 111 111 SER HA H 146 3.948 3.948 4.313 -0.365 18179 2355 1 4 . 1 1 111 111 SER C C 146 174.939 174.939 174.674 0.265 18179 2356 1 4 . 1 1 111 111 SER CA C 146 60.850 60.850 59.972 0.878 18179 2357 1 4 . 1 1 111 111 SER CB C 146 62.776 62.776 63.603 -0.827 18179 2358 1 4 . 1 1 111 111 SER H H 146 8.616 8.616 8.415 0.201 18179 2359 1 4 . 1 1 112 112 ASN N N 147 116.146 116.146 119.714 -3.568 18179 2360 1 4 . 1 1 112 112 ASN HA H 147 4.558 4.558 4.828 -0.270 18179 2361 1 4 . 1 1 112 112 ASN C C 147 173.693 173.693 173.907 -0.214 18179 2362 1 4 . 1 1 112 112 ASN CA C 147 53.209 53.209 51.867 1.342 18179 2363 1 4 . 1 1 112 112 ASN CB C 147 37.534 37.534 37.532 0.002 18179 2364 1 4 . 1 1 112 112 ASN H H 147 8.374 8.374 7.926 0.448 18179 2365 1 4 . 1 1 113 113 ARG N N 148 121.673 121.673 118.359 3.314 18179 2366 1 4 . 1 1 113 113 ARG HA H 148 4.226 4.226 3.846 0.380 18179 2367 1 4 . 1 1 113 113 ARG C C 148 176.358 176.358 175.993 0.365 18179 2368 1 4 . 1 1 113 113 ARG CA C 148 55.251 55.251 56.889 -1.638 18179 2369 1 4 . 1 1 113 113 ARG CB C 148 30.973 30.973 27.669 3.304 18179 2370 1 4 . 1 1 113 113 ARG H H 148 6.782 6.782 8.021 -1.239 18179 2371 1 4 . 1 1 114 114 LEU N N 149 125.966 125.966 120.725 5.241 18179 2372 1 4 . 1 1 114 114 LEU HA H 149 3.776 3.776 3.793 -0.017 18179 2373 1 4 . 1 1 114 114 LEU C C 149 175.787 175.787 176.223 -0.436 18179 2374 1 4 . 1 1 114 114 LEU CA C 149 57.640 57.640 56.754 0.886 18179 2375 1 4 . 1 1 114 114 LEU CB C 149 43.153 43.153 42.346 0.807 18179 2376 1 4 . 1 1 114 114 LEU H H 149 9.976 9.976 7.879 2.097 18179 2377 1 4 . 1 1 115 115 TYR N N 150 115.137 115.137 114.886 0.251 18179 2378 1 4 . 1 1 115 115 TYR HA H 150 4.947 4.947 4.592 0.355 18179 2379 1 4 . 1 1 115 115 TYR C C 150 174.449 174.449 175.090 -0.641 18179 2380 1 4 . 1 1 115 115 TYR CA C 150 55.986 55.986 56.153 -0.167 18179 2381 1 4 . 1 1 115 115 TYR CB C 150 38.660 38.660 40.427 -1.767 18179 2382 1 4 . 1 1 115 115 TYR H H 150 8.272 8.272 7.449 0.823 18179 2383 1 4 . 1 1 116 116 ALA N N 151 121.349 121.349 123.893 -2.544 18179 2384 1 4 . 1 1 116 116 ALA HA H 151 5.086 5.086 4.131 0.955 18179 2385 1 4 . 1 1 116 116 ALA C C 151 177.541 177.541 176.507 1.034 18179 2386 1 4 . 1 1 116 116 ALA CA C 151 51.614 51.614 51.399 0.215 18179 2387 1 4 . 1 1 116 116 ALA CB C 151 21.262 21.262 19.858 1.404 18179 2388 1 4 . 1 1 116 116 ALA H H 151 7.515 7.515 8.293 -0.778 18179 2389 1 4 . 1 1 117 117 TYR N N 152 115.287 115.287 118.590 -3.303 18179 2390 1 4 . 1 1 117 117 TYR HA H 152 4.693 4.693 4.603 0.090 18179 2391 1 4 . 1 1 117 117 TYR C C 152 173.749 173.749 175.310 -1.561 18179 2392 1 4 . 1 1 117 117 TYR CA C 152 58.142 58.142 57.498 0.644 18179 2393 1 4 . 1 1 117 117 TYR CB C 152 42.827 42.827 37.893 4.934 18179 2394 1 4 . 1 1 117 117 TYR H H 152 6.916 6.916 8.470 -1.554 18179 2395 1 4 . 1 1 118 118 GLU N N 153 122.624 122.624 123.843 -1.219 18179 2396 1 4 . 1 1 118 118 GLU HA H 153 4.951 4.951 4.844 0.107 18179 2397 1 4 . 1 1 118 118 GLU C C 153 175.895 175.895 174.982 0.913 18179 2398 1 4 . 1 1 118 118 GLU CA C 153 54.029 54.029 52.707 1.322 18179 2399 1 4 . 1 1 118 118 GLU CB C 153 29.513 29.513 31.110 -1.597 18179 2400 1 4 . 1 1 118 118 GLU H H 153 9.508 9.508 8.145 1.363 18179 2401 1 4 . 1 1 119 119 PRO HA H 154 4.119 4.119 4.198 -0.079 18179 2402 1 4 . 1 1 119 119 PRO C C 154 176.457 176.457 177.593 -1.136 18179 2403 1 4 . 1 1 119 119 PRO CA C 154 66.240 66.240 65.791 0.449 18179 2404 1 4 . 1 1 119 119 PRO CB C 154 31.682 31.682 31.762 -0.080 18179 2405 1 4 . 1 1 120 120 ALA N N 155 114.721 114.721 116.299 -1.578 18179 2406 1 4 . 1 1 120 120 ALA HA H 155 4.372 4.372 4.237 0.135 18179 2407 1 4 . 1 1 120 120 ALA C C 155 178.528 178.528 177.891 0.637 18179 2408 1 4 . 1 1 120 120 ALA CA C 155 53.148 53.148 53.424 -0.276 18179 2409 1 4 . 1 1 120 120 ALA CB C 155 18.782 18.782 18.731 0.051 18179 2410 1 4 . 1 1 120 120 ALA H H 155 7.697 7.697 7.824 -0.127 18179 2411 1 4 . 1 1 121 121 ASP N N 156 117.502 117.502 119.254 -1.752 18179 2412 1 4 . 1 1 121 121 ASP HA H 156 5.154 5.154 4.904 0.250 18179 2413 1 4 . 1 1 121 121 ASP C C 156 176.756 176.756 177.218 -0.462 18179 2414 1 4 . 1 1 121 121 ASP CA C 156 54.742 54.742 53.963 0.779 18179 2415 1 4 . 1 1 121 121 ASP CB C 156 42.326 42.326 41.317 1.009 18179 2416 1 4 . 1 1 121 121 ASP H H 156 8.493 8.493 8.054 0.439 18179 2417 1 4 . 1 1 122 122 THR N N 157 111.372 111.372 113.990 -2.618 18179 2418 1 4 . 1 1 122 122 THR HA H 157 3.738 3.738 3.939 -0.201 18179 2419 1 4 . 1 1 122 122 THR C C 157 176.023 176.023 175.803 0.220 18179 2420 1 4 . 1 1 122 122 THR CA C 157 66.673 66.673 66.386 0.287 18179 2421 1 4 . 1 1 122 122 THR CB C 157 67.967 67.967 68.281 -0.314 18179 2422 1 4 . 1 1 122 122 THR H H 157 7.428 7.428 7.726 -0.298 18179 2423 1 4 . 1 1 123 123 ALA N N 158 123.853 123.853 124.088 -0.235 18179 2424 1 4 . 1 1 123 123 ALA HA H 158 4.133 4.133 4.106 0.027 18179 2425 1 4 . 1 1 123 123 ALA C C 158 179.987 179.987 179.618 0.369 18179 2426 1 4 . 1 1 123 123 ALA CA C 158 55.545 55.545 54.724 0.821 18179 2427 1 4 . 1 1 123 123 ALA CB C 158 17.458 17.458 17.891 -0.433 18179 2428 1 4 . 1 1 123 123 ALA H H 158 8.663 8.663 8.243 0.420 18179 2429 1 4 . 1 1 124 124 LEU N N 159 121.199 121.199 120.958 0.241 18179 2430 1 4 . 1 1 124 124 LEU HA H 159 4.229 4.229 4.102 0.127 18179 2431 1 4 . 1 1 124 124 LEU C C 159 178.342 178.342 178.718 -0.376 18179 2432 1 4 . 1 1 124 124 LEU CA C 159 57.329 57.329 57.300 0.028 18179 2433 1 4 . 1 1 124 124 LEU CB C 159 41.956 41.956 41.655 0.301 18179 2434 1 4 . 1 1 124 124 LEU H H 159 7.444 7.444 7.494 -0.050 18179 2435 1 4 . 1 1 125 125 LEU N N 160 119.836 119.836 119.590 0.246 18179 2436 1 4 . 1 1 125 125 LEU HA H 160 3.963 3.963 4.012 -0.049 18179 2437 1 4 . 1 1 125 125 LEU C C 160 178.168 178.168 179.228 -1.060 18179 2438 1 4 . 1 1 125 125 LEU CA C 160 58.475 58.475 58.349 0.126 18179 2439 1 4 . 1 1 125 125 LEU CB C 160 40.915 40.915 40.448 0.467 18179 2440 1 4 . 1 1 125 125 LEU H H 160 8.430 8.430 7.882 0.548 18179 2441 1 4 . 1 1 126 126 LEU N N 161 120.046 120.046 119.994 0.052 18179 2442 1 4 . 1 1 126 126 LEU HA H 161 4.000 4.000 3.824 0.176 18179 2443 1 4 . 1 1 126 126 LEU C C 161 178.848 178.848 178.586 0.262 18179 2444 1 4 . 1 1 126 126 LEU CA C 161 58.524 58.524 58.150 0.374 18179 2445 1 4 . 1 1 126 126 LEU CB C 161 42.005 42.005 41.549 0.456 18179 2446 1 4 . 1 1 126 126 LEU H H 161 8.127 8.127 7.876 0.251 18179 2447 1 4 . 1 1 127 127 ASP N N 162 119.057 119.057 118.757 0.300 18179 2448 1 4 . 1 1 127 127 ASP HA H 162 4.267 4.267 4.193 0.074 18179 2449 1 4 . 1 1 127 127 ASP C C 162 179.299 179.299 178.859 0.440 18179 2450 1 4 . 1 1 127 127 ASP CA C 162 57.699 57.699 57.850 -0.151 18179 2451 1 4 . 1 1 127 127 ASP CB C 162 40.564 40.564 40.766 -0.202 18179 2452 1 4 . 1 1 127 127 ASP H H 162 7.872 7.872 8.517 -0.645 18179 2453 1 4 . 1 1 128 128 ASN N N 163 122.268 122.268 118.077 4.191 18179 2454 1 4 . 1 1 128 128 ASN HA H 163 4.423 4.423 4.598 -0.175 18179 2455 1 4 . 1 1 128 128 ASN C C 163 177.256 177.256 178.070 -0.814 18179 2456 1 4 . 1 1 128 128 ASN CA C 163 54.502 54.502 56.003 -1.501 18179 2457 1 4 . 1 1 128 128 ASN CB C 163 36.821 36.821 39.037 -2.216 18179 2458 1 4 . 1 1 128 128 ASN H H 163 8.711 8.711 8.365 0.346 18179 2459 1 4 . 1 1 129 129 MET N N 164 122.448 122.448 117.975 4.473 18179 2460 1 4 . 1 1 129 129 MET HA H 164 3.583 3.583 2.658 0.925 18179 2461 1 4 . 1 1 129 129 MET C C 164 178.272 178.272 177.612 0.660 18179 2462 1 4 . 1 1 129 129 MET CA C 164 59.617 59.617 57.836 1.781 18179 2463 1 4 . 1 1 129 129 MET CB C 164 34.481 34.481 32.055 2.426 18179 2464 1 4 . 1 1 129 129 MET H H 164 8.704 8.704 8.183 0.521 18179 2465 1 4 . 1 1 130 130 LYS N N 165 117.243 117.243 119.467 -2.224 18179 2466 1 4 . 1 1 130 130 LYS HA H 165 3.869 3.869 4.149 -0.280 18179 2467 1 4 . 1 1 130 130 LYS C C 165 180.050 180.050 178.822 1.228 18179 2468 1 4 . 1 1 130 130 LYS CA C 165 60.517 60.517 58.195 2.322 18179 2469 1 4 . 1 1 130 130 LYS CB C 165 31.836 31.836 32.012 -0.176 18179 2470 1 4 . 1 1 130 130 LYS H H 165 7.767 7.767 8.280 -0.513 18179 2471 1 4 . 1 1 131 131 LYS N N 166 120.486 120.486 118.340 2.146 18179 2472 1 4 . 1 1 131 131 LYS HA H 166 3.853 3.853 4.184 -0.331 18179 2473 1 4 . 1 1 131 131 LYS C C 166 179.232 179.232 178.625 0.607 18179 2474 1 4 . 1 1 131 131 LYS CA C 166 60.171 60.171 58.424 1.747 18179 2475 1 4 . 1 1 131 131 LYS CB C 166 32.783 32.783 32.130 0.653 18179 2476 1 4 . 1 1 131 131 LYS H H 166 7.914 7.914 7.667 0.247 18179 2477 1 4 . 1 1 132 132 ALA N N 167 122.426 122.426 120.871 1.555 18179 2478 1 4 . 1 1 132 132 ALA HA H 167 3.625 3.625 4.316 -0.691 18179 2479 1 4 . 1 1 132 132 ALA C C 167 177.616 177.616 177.474 0.142 18179 2480 1 4 . 1 1 132 132 ALA CA C 167 54.246 54.246 54.596 -0.350 18179 2481 1 4 . 1 1 132 132 ALA CB C 167 18.261 18.261 18.874 -0.613 18179 2482 1 4 . 1 1 132 132 ALA H H 167 7.801 7.801 7.262 0.539 18179 2483 1 4 . 1 1 133 133 LEU N N 168 113.735 113.735 114.112 -0.377 18179 2484 1 4 . 1 1 133 133 LEU HA H 168 3.747 3.747 4.552 -0.805 18179 2485 1 4 . 1 1 133 133 LEU C C 168 177.322 177.322 177.108 0.214 18179 2486 1 4 . 1 1 133 133 LEU CA C 168 55.892 55.892 53.853 2.039 18179 2487 1 4 . 1 1 133 133 LEU CB C 168 42.159 42.159 41.317 0.842 18179 2488 1 4 . 1 1 133 133 LEU H H 168 7.010 7.010 7.313 -0.303 18179 2489 1 4 . 1 1 134 134 LYS N N 169 123.034 123.034 121.268 1.766 18179 2490 1 4 . 1 1 134 134 LYS HA H 169 4.331 4.331 4.158 0.173 18179 2491 1 4 . 1 1 134 134 LYS C C 169 174.307 174.307 176.484 -2.177 18179 2492 1 4 . 1 1 134 134 LYS CA C 169 55.382 55.382 57.348 -1.966 18179 2493 1 4 . 1 1 134 134 LYS CB C 169 29.718 29.718 32.548 -2.830 18179 2494 1 4 . 1 1 134 134 LYS H H 169 7.202 7.202 7.277 -0.075 18179 2495 1 4 . 1 1 135 135 LEU N N 170 120.490 120.490 119.779 0.711 18179 2496 1 4 . 1 1 135 135 LEU HA H 170 3.980 3.980 4.349 -0.369 18179 2497 1 4 . 1 1 135 135 LEU C C 170 178.427 178.427 176.106 2.321 18179 2498 1 4 . 1 1 135 135 LEU CA C 170 54.884 54.884 54.848 0.036 18179 2499 1 4 . 1 1 135 135 LEU CB C 170 40.903 40.903 42.523 -1.620 18179 2500 1 4 . 1 1 135 135 LEU H H 170 7.334 7.334 7.395 -0.061 18179 2501 1 4 . 1 1 136 136 LEU N N 171 120.084 120.084 126.829 -6.745 18179 2502 1 4 . 1 1 136 136 LEU HA H 171 4.040 4.040 4.589 -0.549 18179 2503 1 4 . 1 1 136 136 LEU C C 171 178.231 178.231 176.859 1.372 18179 2504 1 4 . 1 1 136 136 LEU CA C 171 55.750 55.750 54.395 1.355 18179 2505 1 4 . 1 1 136 136 LEU CB C 171 41.734 41.734 43.408 -1.674 18179 2506 1 4 . 1 1 136 136 LEU H H 171 8.614 8.614 8.281 0.333 18179 2507 1 4 . 1 1 137 137 LYS N N 172 121.059 121.059 125.095 -4.036 18179 2508 1 4 . 1 1 137 137 LYS HA H 172 4.333 4.333 4.431 -0.098 18179 2509 1 4 . 1 1 137 137 LYS C C 172 174.388 174.388 175.224 -0.836 18179 2510 1 4 . 1 1 137 137 LYS CA C 172 55.903 55.903 56.191 -0.288 18179 2511 1 4 . 1 1 137 137 LYS CB C 172 32.681 32.681 32.580 0.101 18179 2512 1 4 . 1 1 137 137 LYS H H 172 8.468 8.468 8.555 -0.087 18179 2513 1 4 . 1 1 138 138 THR N N 173 116.267 116.267 115.757 0.510 18179 2514 1 4 . 1 1 138 138 THR HA H 173 4.261 4.261 4.416 -0.155 18179 2515 1 4 . 1 1 138 138 THR C C 173 174.267 174.267 173.118 1.149 18179 2516 1 4 . 1 1 138 138 THR CA C 173 61.867 61.867 61.455 0.412 18179 2517 1 4 . 1 1 138 138 THR CB C 173 69.848 69.848 70.260 -0.412 18179 2518 1 4 . 1 1 138 138 THR H H 173 8.095 8.095 7.577 0.518 18179 2519 1 4 . 1 1 139 139 GLU N N 174 123.648 123.648 126.585 -2.937 18179 2520 1 4 . 1 1 139 139 GLU HA H 174 4.288 4.288 4.290 -0.002 18179 2521 1 4 . 1 1 139 139 GLU C C 174 175.178 175.178 175.352 -0.174 18179 2522 1 4 . 1 1 139 139 GLU CA C 174 56.205 56.205 56.463 -0.258 18179 2523 1 4 . 1 1 139 139 GLU CB C 174 30.353 30.353 29.891 0.462 18179 2524 1 4 . 1 1 139 139 GLU H H 174 8.293 8.293 8.469 -0.176 18179 2525 1 5 . 1 1 17 17 LEU N N 52 120.529 120.529 122.639 -2.110 18179 2526 1 5 . 1 1 17 17 LEU HA H 52 4.317 4.317 4.290 0.027 18179 2527 1 5 . 1 1 17 17 LEU CA C 52 53.456 53.456 54.491 -1.035 18179 2528 1 5 . 1 1 17 17 LEU CB C 52 42.494 42.494 40.224 2.270 18179 2529 1 5 . 1 1 17 17 LEU H H 52 7.103 7.103 7.970 -0.867 18179 2530 1 5 . 1 1 18 18 ILE CB C 53 36.458 36.458 38.022 -1.564 18179 2531 1 5 . 1 1 23 23 TYR HA H 58 4.359 4.359 4.272 0.087 18179 2532 1 5 . 1 1 23 23 TYR C C 58 176.387 176.387 176.417 -0.030 18179 2533 1 5 . 1 1 23 23 TYR CA C 58 59.597 59.597 61.978 -2.381 18179 2534 1 5 . 1 1 23 23 TYR CB C 58 38.572 38.572 38.265 0.307 18179 2535 1 5 . 1 1 24 24 GLU N N 59 117.335 117.335 118.870 -1.535 18179 2536 1 5 . 1 1 24 24 GLU CA C 59 60.871 60.871 59.159 1.712 18179 2537 1 5 . 1 1 24 24 GLU CB C 59 28.494 28.494 27.971 0.523 18179 2538 1 5 . 1 1 24 24 GLU H H 59 9.191 9.191 8.897 0.294 18179 2539 1 5 . 1 1 25 25 ALA N N 60 120.861 120.861 121.049 -0.188 18179 2540 1 5 . 1 1 25 25 ALA CA C 60 54.555 54.555 53.700 0.855 18179 2541 1 5 . 1 1 25 25 ALA CB C 60 18.528 18.528 18.307 0.221 18179 2542 1 5 . 1 1 25 25 ALA H H 60 7.688 7.688 7.533 0.155 18179 2543 1 5 . 1 1 26 26 ALA N N 61 123.402 123.402 123.418 -0.016 18179 2544 1 5 . 1 1 26 26 ALA HA H 61 3.900 3.900 4.002 -0.102 18179 2545 1 5 . 1 1 26 26 ALA CA C 61 55.346 55.346 54.986 0.360 18179 2546 1 5 . 1 1 26 26 ALA CB C 61 19.104 19.104 18.423 0.681 18179 2547 1 5 . 1 1 26 26 ALA H H 61 8.225 8.225 7.569 0.656 18179 2548 1 5 . 1 1 27 27 LEU N N 62 118.742 118.742 119.175 -0.433 18179 2549 1 5 . 1 1 27 27 LEU HA H 62 3.700 3.700 3.863 -0.163 18179 2550 1 5 . 1 1 27 27 LEU C C 62 171.911 171.911 179.126 -7.215 18179 2551 1 5 . 1 1 27 27 LEU CA C 62 57.654 57.654 57.634 0.020 18179 2552 1 5 . 1 1 27 27 LEU CB C 62 41.905 41.905 41.380 0.525 18179 2553 1 5 . 1 1 27 27 LEU H H 62 8.336 8.336 7.831 0.505 18179 2554 1 5 . 1 1 28 28 TYR N N 63 117.594 117.594 119.326 -1.732 18179 2555 1 5 . 1 1 28 28 TYR HA H 63 4.007 4.007 3.977 0.030 18179 2556 1 5 . 1 1 28 28 TYR C C 63 179.075 179.075 177.704 1.371 18179 2557 1 5 . 1 1 28 28 TYR CA C 63 61.769 61.769 61.735 0.034 18179 2558 1 5 . 1 1 28 28 TYR CB C 63 38.071 38.071 38.203 -0.132 18179 2559 1 5 . 1 1 28 28 TYR H H 63 7.279 7.279 7.448 -0.169 18179 2560 1 5 . 1 1 29 29 LYS N N 64 121.077 121.077 119.430 1.647 18179 2561 1 5 . 1 1 29 29 LYS HA H 64 3.663 3.663 3.765 -0.102 18179 2562 1 5 . 1 1 29 29 LYS C C 64 176.394 176.394 179.218 -2.824 18179 2563 1 5 . 1 1 29 29 LYS CA C 64 59.230 59.230 59.367 -0.137 18179 2564 1 5 . 1 1 29 29 LYS CB C 64 32.573 32.573 32.615 -0.042 18179 2565 1 5 . 1 1 29 29 LYS H H 64 8.472 8.472 8.318 0.154 18179 2566 1 5 . 1 1 30 30 SER N N 65 117.933 117.933 116.294 1.639 18179 2567 1 5 . 1 1 30 30 SER HA H 65 4.160 4.160 4.305 -0.145 18179 2568 1 5 . 1 1 30 30 SER C C 65 176.518 176.518 176.188 0.330 18179 2569 1 5 . 1 1 30 30 SER CA C 65 61.706 61.706 61.586 0.120 18179 2570 1 5 . 1 1 30 30 SER CB C 65 64.022 64.022 63.282 0.741 18179 2571 1 5 . 1 1 30 30 SER H H 65 8.500 8.500 8.663 -0.163 18179 2572 1 5 . 1 1 31 31 LYS N N 66 117.248 117.248 121.006 -3.758 18179 2573 1 5 . 1 1 31 31 LYS HA H 66 4.301 4.301 4.042 0.259 18179 2574 1 5 . 1 1 31 31 LYS C C 66 179.721 179.721 178.036 1.685 18179 2575 1 5 . 1 1 31 31 LYS CA C 66 59.165 59.165 58.869 0.296 18179 2576 1 5 . 1 1 31 31 LYS CB C 66 32.372 32.372 32.208 0.164 18179 2577 1 5 . 1 1 31 31 LYS H H 66 8.020 8.020 8.209 -0.189 18179 2578 1 5 . 1 1 32 32 THR N N 67 109.772 109.772 109.522 0.250 18179 2579 1 5 . 1 1 32 32 THR HA H 67 3.883 3.883 4.284 -0.401 18179 2580 1 5 . 1 1 32 32 THR C C 67 176.237 176.237 175.438 0.799 18179 2581 1 5 . 1 1 32 32 THR CA C 67 64.813 64.813 63.651 1.162 18179 2582 1 5 . 1 1 32 32 THR CB C 67 69.445 69.445 68.915 0.530 18179 2583 1 5 . 1 1 32 32 THR H H 67 7.844 7.844 7.368 0.476 18179 2584 1 5 . 1 1 33 33 SER N N 68 115.610 115.610 116.521 -0.911 18179 2585 1 5 . 1 1 33 33 SER HA H 68 4.369 4.369 4.450 -0.081 18179 2586 1 5 . 1 1 33 33 SER C C 68 174.628 174.628 175.005 -0.377 18179 2587 1 5 . 1 1 33 33 SER CA C 68 59.242 59.242 58.884 0.358 18179 2588 1 5 . 1 1 33 33 SER CB C 68 65.166 65.166 65.181 -0.015 18179 2589 1 5 . 1 1 33 33 SER H H 68 8.047 8.047 7.592 0.455 18179 2590 1 5 . 1 1 34 34 ASN N N 69 110.215 110.215 117.954 -7.739 18179 2591 1 5 . 1 1 34 34 ASN HA H 69 4.181 4.181 4.411 -0.230 18179 2592 1 5 . 1 1 34 34 ASN C C 69 173.253 173.253 173.848 -0.595 18179 2593 1 5 . 1 1 34 34 ASN CA C 69 54.302 54.302 54.633 -0.331 18179 2594 1 5 . 1 1 34 34 ASN CB C 69 38.506 38.506 36.675 1.831 18179 2595 1 5 . 1 1 34 34 ASN H H 69 8.061 8.061 8.397 -0.336 18179 2596 1 5 . 1 1 35 35 LYS N N 70 117.312 117.312 118.254 -0.942 18179 2597 1 5 . 1 1 35 35 LYS HA H 70 4.676 4.676 4.803 -0.127 18179 2598 1 5 . 1 1 35 35 LYS CA C 70 53.385 53.385 52.775 0.610 18179 2599 1 5 . 1 1 35 35 LYS CB C 70 34.049 34.049 33.451 0.598 18179 2600 1 5 . 1 1 35 35 LYS H H 70 7.589 7.589 7.434 0.155 18179 2601 1 5 . 1 1 36 36 PRO HA H 71 4.371 4.371 4.432 -0.061 18179 2602 1 5 . 1 1 36 36 PRO C C 71 172.189 172.189 175.934 -3.745 18179 2603 1 5 . 1 1 36 36 PRO CA C 71 62.356 62.356 62.685 -0.329 18179 2604 1 5 . 1 1 36 36 PRO CB C 71 31.785 31.785 32.382 -0.597 18179 2605 1 5 . 1 1 37 37 LEU N N 72 122.894 122.894 123.327 -0.433 18179 2606 1 5 . 1 1 37 37 LEU HA H 72 5.392 5.392 4.681 0.711 18179 2607 1 5 . 1 1 37 37 LEU C C 72 174.422 174.422 175.987 -1.565 18179 2608 1 5 . 1 1 37 37 LEU CA C 72 52.656 52.656 54.145 -1.489 18179 2609 1 5 . 1 1 37 37 LEU CB C 72 45.220 45.220 43.239 1.981 18179 2610 1 5 . 1 1 37 37 LEU H H 72 8.936 8.936 8.098 0.839 18179 2611 1 5 . 1 1 38 38 MET N N 73 128.922 128.922 124.112 4.810 18179 2612 1 5 . 1 1 38 38 MET C C 73 172.488 172.488 175.178 -2.690 18179 2613 1 5 . 1 1 38 38 MET CA C 73 54.806 54.806 53.667 1.139 18179 2614 1 5 . 1 1 38 38 MET CB C 73 35.127 35.127 32.129 2.998 18179 2615 1 5 . 1 1 38 38 MET H H 73 8.965 8.965 8.767 0.198 18179 2616 1 5 . 1 1 39 39 ILE N N 74 124.016 124.016 126.518 -2.502 18179 2617 1 5 . 1 1 39 39 ILE HA H 74 4.819 4.819 4.194 0.625 18179 2618 1 5 . 1 1 39 39 ILE C C 74 175.018 175.018 174.285 0.733 18179 2619 1 5 . 1 1 39 39 ILE CA C 74 59.688 59.688 59.318 0.370 18179 2620 1 5 . 1 1 39 39 ILE CB C 74 40.407 40.407 36.976 3.431 18179 2621 1 5 . 1 1 39 39 ILE H H 74 8.727 8.727 8.769 -0.042 18179 2622 1 5 . 1 1 40 40 ILE N N 75 126.837 126.837 128.311 -1.474 18179 2623 1 5 . 1 1 40 40 ILE HA H 75 4.038 4.038 4.732 -0.694 18179 2624 1 5 . 1 1 40 40 ILE C C 75 175.282 175.282 174.725 0.557 18179 2625 1 5 . 1 1 40 40 ILE CA C 75 60.408 60.408 59.691 0.717 18179 2626 1 5 . 1 1 40 40 ILE CB C 75 40.028 40.028 39.120 0.908 18179 2627 1 5 . 1 1 40 40 ILE H H 75 8.587 8.587 8.273 0.314 18179 2628 1 5 . 1 1 41 41 HIS N N 76 128.633 128.633 127.995 0.638 18179 2629 1 5 . 1 1 41 41 HIS CA C 76 56.453 56.453 54.916 1.536 18179 2630 1 5 . 1 1 41 41 HIS CB C 76 29.368 29.368 32.515 -3.147 18179 2631 1 5 . 1 1 41 41 HIS H H 76 9.145 9.145 7.882 1.263 18179 2632 1 5 . 1 1 42 42 HIS HA H 77 4.822 4.822 4.819 0.003 18179 2633 1 5 . 1 1 42 42 HIS C C 77 170.942 170.942 173.729 -2.787 18179 2634 1 5 . 1 1 42 42 HIS CA C 77 54.441 54.441 55.823 -1.382 18179 2635 1 5 . 1 1 42 42 HIS CB C 77 34.768 34.768 31.775 2.993 18179 2636 1 5 . 1 1 43 43 LEU N N 78 114.526 114.526 119.702 -5.176 18179 2637 1 5 . 1 1 43 43 LEU HA H 78 4.540 4.540 4.438 0.102 18179 2638 1 5 . 1 1 43 43 LEU C C 78 177.855 177.855 176.205 1.650 18179 2639 1 5 . 1 1 43 43 LEU CA C 78 54.020 54.020 54.877 -0.857 18179 2640 1 5 . 1 1 43 43 LEU CB C 78 46.643 46.643 45.599 1.044 18179 2641 1 5 . 1 1 43 43 LEU H H 78 7.077 7.077 8.445 -1.368 18179 2642 1 5 . 1 1 44 44 ASP N N 79 123.675 123.675 122.664 1.011 18179 2643 1 5 . 1 1 44 44 ASP HA H 79 4.452 4.452 4.390 0.062 18179 2644 1 5 . 1 1 44 44 ASP C C 79 177.872 177.872 176.735 1.137 18179 2645 1 5 . 1 1 44 44 ASP CA C 79 57.458 57.458 55.232 2.226 18179 2646 1 5 . 1 1 44 44 ASP CB C 79 40.739 40.739 41.314 -0.575 18179 2647 1 5 . 1 1 44 44 ASP H H 79 8.783 8.783 8.785 -0.002 18179 2648 1 5 . 1 1 45 45 GLU N N 80 115.578 115.578 118.902 -3.324 18179 2649 1 5 . 1 1 45 45 GLU HA H 80 4.156 4.156 4.171 -0.015 18179 2650 1 5 . 1 1 45 45 GLU C C 80 175.108 175.108 176.577 -1.469 18179 2651 1 5 . 1 1 45 45 GLU CA C 80 56.661 56.661 57.647 -0.986 18179 2652 1 5 . 1 1 45 45 GLU CB C 80 28.604 28.604 29.872 -1.268 18179 2653 1 5 . 1 1 45 45 GLU H H 80 9.146 9.146 8.813 0.333 18179 2654 1 5 . 1 1 46 46 CYS N N 81 125.642 125.642 116.785 8.857 18179 2655 1 5 . 1 1 46 46 CYS HA H 81 4.814 4.814 4.837 -0.023 18179 2656 1 5 . 1 1 46 46 CYS C C 81 175.453 175.453 172.773 2.680 18179 2657 1 5 . 1 1 46 46 CYS CA C 81 56.298 56.298 55.295 1.003 18179 2658 1 5 . 1 1 46 46 CYS CB C 81 30.378 30.378 28.900 1.478 18179 2659 1 5 . 1 1 46 46 CYS H H 81 7.146 7.146 7.587 -0.441 18179 2660 1 5 . 1 1 47 47 PRO HA H 82 4.311 4.311 4.458 -0.147 18179 2661 1 5 . 1 1 47 47 PRO CA C 82 64.536 64.536 63.411 1.125 18179 2662 1 5 . 1 1 47 47 PRO CB C 82 32.069 32.069 32.054 0.015 18179 2663 1 5 . 1 1 48 48 HIS N N 83 124.416 124.416 121.746 2.670 18179 2664 1 5 . 1 1 48 48 HIS HA H 83 4.511 4.511 4.391 0.120 18179 2665 1 5 . 1 1 48 48 HIS C C 83 178.820 178.820 177.186 1.634 18179 2666 1 5 . 1 1 48 48 HIS CA C 83 59.042 59.042 56.911 2.131 18179 2667 1 5 . 1 1 48 48 HIS CB C 83 28.921 28.921 30.497 -1.577 18179 2668 1 5 . 1 1 48 48 HIS H H 83 8.936 8.936 8.725 0.211 18179 2669 1 5 . 1 1 49 49 SER N N 84 129.973 129.973 118.633 11.340 18179 2670 1 5 . 1 1 49 49 SER HA H 84 4.152 4.152 4.187 -0.035 18179 2671 1 5 . 1 1 49 49 SER C C 84 175.397 175.397 176.027 -0.630 18179 2672 1 5 . 1 1 49 49 SER CA C 84 63.873 63.873 61.080 2.793 18179 2673 1 5 . 1 1 49 49 SER CB C 84 65.516 65.516 62.721 2.796 18179 2674 1 5 . 1 1 49 49 SER H H 84 11.408 11.408 9.100 2.308 18179 2675 1 5 . 1 1 50 50 GLN N N 85 118.214 118.214 120.877 -2.663 18179 2676 1 5 . 1 1 50 50 GLN HA H 85 3.701 3.701 4.192 -0.491 18179 2677 1 5 . 1 1 50 50 GLN C C 85 178.213 178.213 177.864 0.349 18179 2678 1 5 . 1 1 50 50 GLN CA C 85 58.201 58.201 58.266 -0.065 18179 2679 1 5 . 1 1 50 50 GLN CB C 85 27.294 27.294 27.874 -0.580 18179 2680 1 5 . 1 1 50 50 GLN H H 85 8.192 8.192 8.143 0.049 18179 2681 1 5 . 1 1 51 51 ALA N N 86 121.790 121.790 122.875 -1.085 18179 2682 1 5 . 1 1 51 51 ALA HA H 86 4.099 4.099 4.098 0.002 18179 2683 1 5 . 1 1 51 51 ALA C C 86 180.512 180.512 179.472 1.040 18179 2684 1 5 . 1 1 51 51 ALA CA C 86 54.742 54.742 54.774 -0.032 18179 2685 1 5 . 1 1 51 51 ALA CB C 86 18.559 18.559 18.270 0.289 18179 2686 1 5 . 1 1 51 51 ALA H H 86 7.748 7.748 8.272 -0.524 18179 2687 1 5 . 1 1 52 52 LEU N N 87 118.528 118.528 118.935 -0.407 18179 2688 1 5 . 1 1 52 52 LEU HA H 87 4.076 4.076 3.978 0.098 18179 2689 1 5 . 1 1 52 52 LEU CA C 87 57.266 57.266 56.601 0.665 18179 2690 1 5 . 1 1 52 52 LEU CB C 87 41.947 41.947 41.740 0.207 18179 2691 1 5 . 1 1 52 52 LEU H H 87 7.918 7.918 7.519 0.399 18179 2692 1 5 . 1 1 53 53 LYS N N 88 120.398 120.398 119.430 0.968 18179 2693 1 5 . 1 1 53 53 LYS H H 88 7.932 7.932 7.956 -0.024 18179 2694 1 5 . 1 1 54 54 LYS N N 89 115.219 115.219 119.216 -3.997 18179 2695 1 5 . 1 1 54 54 LYS HA H 89 3.790 3.790 4.059 -0.269 18179 2696 1 5 . 1 1 54 54 LYS C C 89 178.614 178.614 178.686 -0.072 18179 2697 1 5 . 1 1 54 54 LYS CA C 89 59.308 59.308 59.365 -0.057 18179 2698 1 5 . 1 1 54 54 LYS CB C 89 32.530 32.530 32.166 0.364 18179 2699 1 5 . 1 1 54 54 LYS H H 89 6.889 6.889 7.763 -0.874 18179 2700 1 5 . 1 1 55 55 VAL N N 90 110.991 110.991 112.352 -1.361 18179 2701 1 5 . 1 1 55 55 VAL HA H 90 4.049 4.049 4.218 -0.169 18179 2702 1 5 . 1 1 55 55 VAL C C 90 178.054 178.054 177.758 0.296 18179 2703 1 5 . 1 1 55 55 VAL CA C 90 64.467 64.467 64.680 -0.213 18179 2704 1 5 . 1 1 55 55 VAL CB C 90 31.625 31.625 31.452 0.173 18179 2705 1 5 . 1 1 55 55 VAL H H 90 6.748 6.748 7.130 -0.382 18179 2706 1 5 . 1 1 56 56 PHE N N 91 124.010 124.010 119.939 4.071 18179 2707 1 5 . 1 1 56 56 PHE HA H 91 3.829 3.829 4.385 -0.556 18179 2708 1 5 . 1 1 56 56 PHE C C 91 177.496 177.496 177.172 0.324 18179 2709 1 5 . 1 1 56 56 PHE CA C 91 61.854 61.854 58.445 3.409 18179 2710 1 5 . 1 1 56 56 PHE CB C 91 41.828 41.828 37.565 4.263 18179 2711 1 5 . 1 1 56 56 PHE H H 91 8.722 8.722 7.213 1.509 18179 2712 1 5 . 1 1 57 57 ALA N N 92 118.444 118.444 121.150 -2.706 18179 2713 1 5 . 1 1 57 57 ALA HA H 92 4.185 4.185 4.173 0.012 18179 2714 1 5 . 1 1 57 57 ALA C C 92 180.660 180.660 178.627 2.033 18179 2715 1 5 . 1 1 57 57 ALA CA C 92 54.288 54.288 54.489 -0.201 18179 2716 1 5 . 1 1 57 57 ALA CB C 92 18.487 18.487 18.559 -0.073 18179 2717 1 5 . 1 1 57 57 ALA H H 92 8.695 8.695 7.965 0.730 18179 2718 1 5 . 1 1 58 58 GLU N N 93 112.263 112.263 117.181 -4.918 18179 2719 1 5 . 1 1 58 58 GLU HA H 93 4.156 4.156 4.173 -0.017 18179 2720 1 5 . 1 1 58 58 GLU C C 93 175.641 175.641 177.015 -1.374 18179 2721 1 5 . 1 1 58 58 GLU CA C 93 55.883 55.883 57.049 -1.166 18179 2722 1 5 . 1 1 58 58 GLU CB C 93 30.495 30.495 29.906 0.589 18179 2723 1 5 . 1 1 58 58 GLU H H 93 7.108 7.108 7.771 -0.663 18179 2724 1 5 . 1 1 59 59 ASN N N 94 120.422 120.422 119.113 1.309 18179 2725 1 5 . 1 1 59 59 ASN HA H 94 4.590 4.590 4.674 -0.084 18179 2726 1 5 . 1 1 59 59 ASN C C 94 174.151 174.151 175.223 -1.072 18179 2727 1 5 . 1 1 59 59 ASN CA C 94 54.056 54.056 53.278 0.778 18179 2728 1 5 . 1 1 59 59 ASN CB C 94 38.723 38.723 40.044 -1.321 18179 2729 1 5 . 1 1 59 59 ASN H H 94 7.269 7.269 7.614 -0.345 18179 2730 1 5 . 1 1 60 60 LYS N N 95 127.497 127.497 123.914 3.583 18179 2731 1 5 . 1 1 60 60 LYS HA H 95 3.770 3.770 4.268 -0.498 18179 2732 1 5 . 1 1 60 60 LYS C C 95 178.959 178.959 177.627 1.332 18179 2733 1 5 . 1 1 60 60 LYS CA C 95 59.337 59.337 58.300 1.037 18179 2734 1 5 . 1 1 60 60 LYS CB C 95 32.170 32.170 33.019 -0.849 18179 2735 1 5 . 1 1 60 60 LYS H H 95 8.672 8.672 8.790 -0.118 18179 2736 1 5 . 1 1 61 61 GLU N N 96 119.409 119.409 119.749 -0.340 18179 2737 1 5 . 1 1 61 61 GLU HA H 96 3.984 3.984 4.202 -0.218 18179 2738 1 5 . 1 1 61 61 GLU C C 96 179.574 179.574 178.782 0.792 18179 2739 1 5 . 1 1 61 61 GLU CA C 96 59.955 59.955 58.608 1.347 18179 2740 1 5 . 1 1 61 61 GLU CB C 96 29.246 29.246 29.363 -0.117 18179 2741 1 5 . 1 1 61 61 GLU H H 96 7.988 7.988 8.106 -0.118 18179 2742 1 5 . 1 1 62 62 ILE N N 97 122.621 122.621 121.651 0.970 18179 2743 1 5 . 1 1 62 62 ILE HA H 97 3.224 3.224 3.587 -0.363 18179 2744 1 5 . 1 1 62 62 ILE C C 97 177.158 177.158 177.981 -0.823 18179 2745 1 5 . 1 1 62 62 ILE CA C 97 65.787 65.787 65.442 0.345 18179 2746 1 5 . 1 1 62 62 ILE CB C 97 37.710 37.710 37.556 0.154 18179 2747 1 5 . 1 1 62 62 ILE H H 97 8.484 8.484 9.244 -0.760 18179 2748 1 5 . 1 1 63 63 GLN N N 98 115.619 115.619 117.396 -1.777 18179 2749 1 5 . 1 1 63 63 GLN HA H 98 3.481 3.481 3.959 -0.478 18179 2750 1 5 . 1 1 63 63 GLN C C 98 178.097 178.097 178.065 0.032 18179 2751 1 5 . 1 1 63 63 GLN CA C 98 58.601 58.601 58.458 0.143 18179 2752 1 5 . 1 1 63 63 GLN CB C 98 28.834 28.834 27.923 0.911 18179 2753 1 5 . 1 1 63 63 GLN H H 98 8.046 8.046 8.417 -0.371 18179 2754 1 5 . 1 1 64 64 LYS N N 99 116.464 116.464 121.168 -4.704 18179 2755 1 5 . 1 1 64 64 LYS HA H 99 4.125 4.125 4.280 -0.155 18179 2756 1 5 . 1 1 64 64 LYS C C 99 179.740 179.740 178.680 1.060 18179 2757 1 5 . 1 1 64 64 LYS CA C 99 57.955 57.955 58.029 -0.074 18179 2758 1 5 . 1 1 64 64 LYS CB C 99 32.054 32.054 32.162 -0.108 18179 2759 1 5 . 1 1 64 64 LYS H H 99 7.578 7.578 7.351 0.227 18179 2760 1 5 . 1 1 65 65 LEU N N 100 122.576 122.576 119.177 3.399 18179 2761 1 5 . 1 1 65 65 LEU HA H 100 4.128 4.128 4.124 0.004 18179 2762 1 5 . 1 1 65 65 LEU C C 100 178.481 178.481 178.422 0.059 18179 2763 1 5 . 1 1 65 65 LEU CA C 100 57.044 57.044 56.977 0.067 18179 2764 1 5 . 1 1 65 65 LEU CB C 100 41.883 41.883 41.134 0.749 18179 2765 1 5 . 1 1 65 65 LEU H H 100 7.916 7.916 8.269 -0.353 18179 2766 1 5 . 1 1 66 66 ALA N N 101 119.534 119.534 118.951 0.583 18179 2767 1 5 . 1 1 66 66 ALA HA H 101 3.810 3.810 2.076 1.734 18179 2768 1 5 . 1 1 66 66 ALA C C 101 177.520 177.520 177.372 0.148 18179 2769 1 5 . 1 1 66 66 ALA CA C 101 54.772 54.772 53.150 1.622 18179 2770 1 5 . 1 1 66 66 ALA CB C 101 17.737 17.737 18.348 -0.611 18179 2771 1 5 . 1 1 66 66 ALA H H 101 8.511 8.511 7.102 1.409 18179 2772 1 5 . 1 1 67 67 GLU N N 102 113.081 113.081 115.634 -2.553 18179 2773 1 5 . 1 1 67 67 GLU HA H 102 4.113 4.113 3.938 0.175 18179 2774 1 5 . 1 1 67 67 GLU C C 102 178.295 178.295 176.592 1.703 18179 2775 1 5 . 1 1 67 67 GLU CA C 102 58.285 58.285 57.488 0.797 18179 2776 1 5 . 1 1 67 67 GLU CB C 102 29.952 29.952 29.563 0.389 18179 2777 1 5 . 1 1 67 67 GLU H H 102 7.039 7.039 7.263 -0.224 18179 2778 1 5 . 1 1 68 68 GLN N N 103 116.244 116.244 116.756 -0.512 18179 2779 1 5 . 1 1 68 68 GLN HA H 103 4.107 4.107 4.247 -0.140 18179 2780 1 5 . 1 1 68 68 GLN C C 103 173.173 173.173 175.624 -2.451 18179 2781 1 5 . 1 1 68 68 GLN CA C 103 56.094 56.094 56.322 -0.228 18179 2782 1 5 . 1 1 68 68 GLN CB C 103 28.703 28.703 30.048 -1.345 18179 2783 1 5 . 1 1 68 68 GLN H H 103 8.167 8.167 7.136 1.031 18179 2784 1 5 . 1 1 69 69 PHE N N 104 116.822 116.822 116.131 0.691 18179 2785 1 5 . 1 1 69 69 PHE HA H 104 4.645 4.645 4.927 -0.282 18179 2786 1 5 . 1 1 69 69 PHE C C 104 177.346 177.346 175.037 2.309 18179 2787 1 5 . 1 1 69 69 PHE CA C 104 57.254 57.254 55.309 1.945 18179 2788 1 5 . 1 1 69 69 PHE CB C 104 40.897 40.897 39.969 0.928 18179 2789 1 5 . 1 1 69 69 PHE H H 104 7.633 7.633 7.107 0.526 18179 2790 1 5 . 1 1 70 70 VAL N N 105 120.799 120.799 119.852 0.947 18179 2791 1 5 . 1 1 70 70 VAL HA H 105 3.867 3.867 4.310 -0.443 18179 2792 1 5 . 1 1 70 70 VAL C C 105 174.191 174.191 175.538 -1.347 18179 2793 1 5 . 1 1 70 70 VAL CA C 105 63.450 63.450 61.572 1.878 18179 2794 1 5 . 1 1 70 70 VAL CB C 105 31.566 31.566 32.697 -1.131 18179 2795 1 5 . 1 1 70 70 VAL H H 105 8.943 8.943 8.600 0.343 18179 2796 1 5 . 1 1 71 71 LEU N N 106 129.105 129.105 124.139 4.966 18179 2797 1 5 . 1 1 71 71 LEU HA H 106 4.850 4.850 4.657 0.193 18179 2798 1 5 . 1 1 71 71 LEU CA C 106 53.854 53.854 53.800 0.054 18179 2799 1 5 . 1 1 71 71 LEU CB C 106 44.478 44.478 43.862 0.616 18179 2800 1 5 . 1 1 71 71 LEU H H 106 8.432 8.432 8.378 0.054 18179 2801 1 5 . 1 1 72 72 LEU N N 107 123.682 123.682 124.052 -0.370 18179 2802 1 5 . 1 1 72 72 LEU H H 107 8.298 8.298 8.578 -0.280 18179 2803 1 5 . 1 1 73 73 ASN N N 108 125.520 125.520 120.818 4.702 18179 2804 1 5 . 1 1 73 73 ASN CA C 108 51.631 51.631 51.860 -0.229 18179 2805 1 5 . 1 1 73 73 ASN CB C 108 41.484 41.484 38.429 3.055 18179 2806 1 5 . 1 1 73 73 ASN H H 108 9.761 9.761 8.852 0.909 18179 2807 1 5 . 1 1 74 74 LEU N N 109 122.070 122.070 118.710 3.360 18179 2808 1 5 . 1 1 74 74 LEU H H 109 8.563 8.563 7.497 1.066 18179 2809 1 5 . 1 1 75 75 VAL HA H 110 5.100 5.100 4.241 0.859 18179 2810 1 5 . 1 1 75 75 VAL CA C 110 59.157 59.157 61.955 -2.798 18179 2811 1 5 . 1 1 76 76 TYR N N 111 120.641 120.641 125.884 -5.243 18179 2812 1 5 . 1 1 76 76 TYR HA H 111 4.569 4.569 4.675 -0.106 18179 2813 1 5 . 1 1 76 76 TYR C C 111 175.393 175.393 176.035 -0.642 18179 2814 1 5 . 1 1 76 76 TYR CA C 111 57.736 57.736 58.479 -0.743 18179 2815 1 5 . 1 1 76 76 TYR CB C 111 39.426 39.426 40.453 -1.027 18179 2816 1 5 . 1 1 76 76 TYR H H 111 8.255 8.255 9.041 -0.786 18179 2817 1 5 . 1 1 79 79 THR HA H 114 4.180 4.180 4.183 -0.003 18179 2818 1 5 . 1 1 79 79 THR CA C 114 61.295 61.295 62.678 -1.383 18179 2819 1 5 . 1 1 79 79 THR CB C 114 68.683 68.683 69.439 -0.756 18179 2820 1 5 . 1 1 80 80 ASP N N 115 121.026 121.026 123.552 -2.526 18179 2821 1 5 . 1 1 80 80 ASP C C 115 177.959 177.959 176.484 1.475 18179 2822 1 5 . 1 1 80 80 ASP CA C 115 53.276 53.276 53.721 -0.445 18179 2823 1 5 . 1 1 80 80 ASP H H 115 7.746 7.746 8.433 -0.687 18179 2824 1 5 . 1 1 81 81 LYS N N 116 129.056 129.056 120.004 9.052 18179 2825 1 5 . 1 1 81 81 LYS HA H 116 3.828 3.828 4.413 -0.585 18179 2826 1 5 . 1 1 81 81 LYS C C 116 179.118 179.118 177.335 1.783 18179 2827 1 5 . 1 1 81 81 LYS CA C 116 57.957 57.957 57.224 0.733 18179 2828 1 5 . 1 1 81 81 LYS CB C 116 31.273 31.273 32.320 -1.047 18179 2829 1 5 . 1 1 81 81 LYS H H 116 8.873 8.873 8.607 0.266 18179 2830 1 5 . 1 1 82 82 HIS N N 117 116.887 116.887 117.982 -1.095 18179 2831 1 5 . 1 1 82 82 HIS HA H 117 4.290 4.290 4.407 -0.117 18179 2832 1 5 . 1 1 82 82 HIS C C 117 175.622 175.622 176.851 -1.229 18179 2833 1 5 . 1 1 82 82 HIS CA C 117 57.865 57.865 58.813 -0.948 18179 2834 1 5 . 1 1 82 82 HIS CB C 117 27.704 27.704 30.675 -2.971 18179 2835 1 5 . 1 1 82 82 HIS H H 117 8.707 8.707 8.440 0.267 18179 2836 1 5 . 1 1 83 83 LEU N N 118 113.733 113.733 117.579 -3.846 18179 2837 1 5 . 1 1 83 83 LEU HA H 118 4.290 4.290 4.530 -0.240 18179 2838 1 5 . 1 1 83 83 LEU C C 118 175.949 175.949 174.914 1.035 18179 2839 1 5 . 1 1 83 83 LEU CA C 118 53.982 53.982 54.700 -0.718 18179 2840 1 5 . 1 1 83 83 LEU CB C 118 41.734 41.734 42.441 -0.708 18179 2841 1 5 . 1 1 83 83 LEU H H 118 7.332 7.332 8.038 -0.706 18179 2842 1 5 . 1 1 84 84 SER N N 119 111.979 111.979 111.227 0.752 18179 2843 1 5 . 1 1 84 84 SER HA H 119 4.632 4.632 4.816 -0.184 18179 2844 1 5 . 1 1 84 84 SER C C 119 173.830 173.830 172.610 1.220 18179 2845 1 5 . 1 1 84 84 SER CA C 119 55.581 55.581 55.155 0.426 18179 2846 1 5 . 1 1 84 84 SER CB C 119 62.367 62.367 64.264 -1.897 18179 2847 1 5 . 1 1 84 84 SER H H 119 7.268 7.268 7.407 -0.139 18179 2848 1 5 . 1 1 85 85 PRO HA H 120 4.384 4.384 4.396 -0.012 18179 2849 1 5 . 1 1 85 85 PRO C C 120 177.881 177.881 176.519 1.362 18179 2850 1 5 . 1 1 85 85 PRO CA C 120 65.292 65.292 65.088 0.204 18179 2851 1 5 . 1 1 85 85 PRO CB C 120 31.942 31.942 32.021 -0.079 18179 2852 1 5 . 1 1 86 86 ASP N N 121 117.614 117.614 115.049 2.565 18179 2853 1 5 . 1 1 86 86 ASP HA H 121 4.960 4.960 4.522 0.438 18179 2854 1 5 . 1 1 86 86 ASP C C 121 174.734 174.734 176.668 -1.934 18179 2855 1 5 . 1 1 86 86 ASP CA C 121 51.999 51.999 53.972 -1.973 18179 2856 1 5 . 1 1 86 86 ASP CB C 121 40.327 40.327 41.539 -1.212 18179 2857 1 5 . 1 1 86 86 ASP H H 121 8.882 8.882 8.205 0.677 18179 2858 1 5 . 1 1 87 87 GLY N N 122 106.815 106.815 109.474 -2.659 18179 2859 1 5 . 1 1 87 87 GLY C C 122 173.401 173.401 174.759 -1.358 18179 2860 1 5 . 1 1 87 87 GLY CA C 122 43.814 43.814 45.689 -1.875 18179 2861 1 5 . 1 1 87 87 GLY H H 122 6.973 6.973 8.129 -1.156 18179 2862 1 5 . 1 1 88 88 GLN N N 123 118.319 118.319 117.773 0.546 18179 2863 1 5 . 1 1 88 88 GLN HA H 123 3.984 3.984 4.036 -0.052 18179 2864 1 5 . 1 1 88 88 GLN C C 123 174.141 174.141 174.483 -0.342 18179 2865 1 5 . 1 1 88 88 GLN CA C 123 54.717 54.717 56.143 -1.426 18179 2866 1 5 . 1 1 88 88 GLN CB C 123 27.267 27.267 29.205 -1.938 18179 2867 1 5 . 1 1 88 88 GLN H H 123 8.224 8.224 7.662 0.562 18179 2868 1 5 . 1 1 89 89 TYR N N 124 117.220 117.220 113.595 3.625 18179 2869 1 5 . 1 1 89 89 TYR HA H 124 4.596 4.596 4.878 -0.282 18179 2870 1 5 . 1 1 89 89 TYR C C 124 173.402 173.402 175.336 -1.934 18179 2871 1 5 . 1 1 89 89 TYR CA C 124 54.672 54.672 55.670 -0.998 18179 2872 1 5 . 1 1 89 89 TYR CB C 124 38.970 38.970 39.169 -0.199 18179 2873 1 5 . 1 1 89 89 TYR H H 124 5.954 5.954 6.586 -0.632 18179 2874 1 5 . 1 1 90 90 VAL N N 125 109.249 109.249 122.875 -13.626 18179 2875 1 5 . 1 1 90 90 VAL HA H 125 4.572 4.572 3.875 0.697 18179 2876 1 5 . 1 1 90 90 VAL C C 125 173.254 173.254 175.303 -2.049 18179 2877 1 5 . 1 1 90 90 VAL CA C 125 57.982 57.982 65.925 -7.943 18179 2878 1 5 . 1 1 90 90 VAL CB C 125 35.376 35.376 30.434 4.942 18179 2879 1 5 . 1 1 90 90 VAL H H 125 8.303 8.303 9.093 -0.790 18179 2880 1 5 . 1 1 92 92 ARG HA H 127 5.178 5.178 4.447 0.731 18179 2881 1 5 . 1 1 92 92 ARG CA C 127 55.689 55.689 53.903 1.786 18179 2882 1 5 . 1 1 93 93 ILE N N 128 127.696 127.696 118.629 9.067 18179 2883 1 5 . 1 1 93 93 ILE HA H 128 5.088 5.088 4.144 0.944 18179 2884 1 5 . 1 1 93 93 ILE CA C 128 61.063 61.063 60.430 0.633 18179 2885 1 5 . 1 1 93 93 ILE CB C 128 39.101 39.101 36.437 2.664 18179 2886 1 5 . 1 1 93 93 ILE H H 128 9.099 9.099 7.463 1.636 18179 2887 1 5 . 1 1 94 94 MET N N 129 122.683 122.683 124.711 -2.028 18179 2888 1 5 . 1 1 94 94 MET C C 129 174.006 174.006 174.457 -0.451 18179 2889 1 5 . 1 1 94 94 MET CA C 129 51.503 51.503 54.517 -3.014 18179 2890 1 5 . 1 1 94 94 MET CB C 129 34.764 34.764 34.755 0.009 18179 2891 1 5 . 1 1 94 94 MET H H 129 8.496 8.496 8.098 0.398 18179 2892 1 5 . 1 1 95 95 PHE N N 130 118.014 118.014 115.946 2.068 18179 2893 1 5 . 1 1 95 95 PHE HA H 130 5.589 5.589 5.598 -0.009 18179 2894 1 5 . 1 1 95 95 PHE C C 130 174.811 174.811 174.564 0.247 18179 2895 1 5 . 1 1 95 95 PHE CA C 130 56.432 56.432 54.993 1.439 18179 2896 1 5 . 1 1 95 95 PHE CB C 130 41.941 41.941 42.333 -0.392 18179 2897 1 5 . 1 1 95 95 PHE H H 130 8.573 8.573 7.718 0.855 18179 2898 1 5 . 1 1 96 96 VAL N N 131 122.847 122.847 115.802 7.045 18179 2899 1 5 . 1 1 96 96 VAL HA H 131 4.337 4.337 4.670 -0.333 18179 2900 1 5 . 1 1 96 96 VAL C C 131 174.303 174.303 174.858 -0.555 18179 2901 1 5 . 1 1 96 96 VAL CA C 131 61.405 61.405 59.902 1.503 18179 2902 1 5 . 1 1 96 96 VAL CB C 131 34.679 34.679 35.788 -1.109 18179 2903 1 5 . 1 1 96 96 VAL H H 131 9.855 9.855 8.696 1.159 18179 2904 1 5 . 1 1 97 97 ASP N N 132 128.042 128.042 125.832 2.210 18179 2905 1 5 . 1 1 97 97 ASP HA H 132 4.883 4.883 5.226 -0.343 18179 2906 1 5 . 1 1 97 97 ASP C C 132 174.958 174.958 176.412 -1.454 18179 2907 1 5 . 1 1 97 97 ASP CA C 132 53.082 53.082 54.054 -0.972 18179 2908 1 5 . 1 1 97 97 ASP CB C 132 45.484 45.484 40.766 4.718 18179 2909 1 5 . 1 1 97 97 ASP H H 132 8.399 8.399 8.631 -0.232 18179 2910 1 5 . 1 1 98 98 PRO HA H 133 4.566 4.566 4.327 0.239 18179 2911 1 5 . 1 1 98 98 PRO C C 133 175.650 175.650 176.869 -1.219 18179 2912 1 5 . 1 1 98 98 PRO CA C 133 65.207 65.207 64.164 1.043 18179 2913 1 5 . 1 1 98 98 PRO CB C 133 31.858 31.858 31.771 0.087 18179 2914 1 5 . 1 1 99 99 SER N N 134 111.171 111.171 112.128 -0.957 18179 2915 1 5 . 1 1 99 99 SER HA H 134 4.122 4.122 4.476 -0.354 18179 2916 1 5 . 1 1 99 99 SER C C 134 175.303 175.303 174.468 0.835 18179 2917 1 5 . 1 1 99 99 SER CA C 134 60.237 60.237 59.281 0.956 18179 2918 1 5 . 1 1 99 99 SER CB C 134 64.471 64.471 62.978 1.493 18179 2919 1 5 . 1 1 99 99 SER H H 134 8.154 8.154 8.173 -0.019 18179 2920 1 5 . 1 1 100 100 LEU N N 135 118.112 118.112 115.569 2.543 18179 2921 1 5 . 1 1 100 100 LEU HA H 135 3.683 3.683 4.073 -0.390 18179 2922 1 5 . 1 1 100 100 LEU C C 135 175.886 175.886 176.474 -0.588 18179 2923 1 5 . 1 1 100 100 LEU CA C 135 56.548 56.548 56.099 0.449 18179 2924 1 5 . 1 1 100 100 LEU CB C 135 36.922 36.922 39.905 -2.983 18179 2925 1 5 . 1 1 100 100 LEU H H 135 9.194 9.194 8.005 1.189 18179 2926 1 5 . 1 1 101 101 THR N N 136 116.048 116.048 111.354 4.694 18179 2927 1 5 . 1 1 101 101 THR HA H 136 4.191 4.191 4.455 -0.264 18179 2928 1 5 . 1 1 101 101 THR C C 136 173.771 173.771 172.629 1.142 18179 2929 1 5 . 1 1 101 101 THR CA C 136 62.123 62.123 60.422 1.701 18179 2930 1 5 . 1 1 101 101 THR CB C 136 70.407 70.407 70.846 -0.439 18179 2931 1 5 . 1 1 101 101 THR H H 136 7.022 7.022 7.289 -0.267 18179 2932 1 5 . 1 1 102 102 VAL N N 137 129.098 129.098 121.784 7.314 18179 2933 1 5 . 1 1 102 102 VAL HA H 137 3.874 3.874 4.402 -0.528 18179 2934 1 5 . 1 1 102 102 VAL C C 137 177.079 177.079 175.829 1.250 18179 2935 1 5 . 1 1 102 102 VAL CA C 137 64.163 64.163 62.704 1.459 18179 2936 1 5 . 1 1 102 102 VAL CB C 137 31.858 31.858 32.153 -0.295 18179 2937 1 5 . 1 1 102 102 VAL H H 137 9.039 9.039 8.488 0.551 18179 2938 1 5 . 1 1 103 103 ARG N N 138 128.421 128.421 127.409 1.012 18179 2939 1 5 . 1 1 103 103 ARG HA H 138 4.724 4.724 4.646 0.078 18179 2940 1 5 . 1 1 103 103 ARG C C 138 177.315 177.315 174.673 2.642 18179 2941 1 5 . 1 1 103 103 ARG CA C 138 50.845 50.845 55.315 -4.470 18179 2942 1 5 . 1 1 103 103 ARG CB C 138 25.210 25.210 30.281 -5.071 18179 2943 1 5 . 1 1 103 103 ARG H H 138 9.355 9.355 9.848 -0.493 18179 2944 1 5 . 1 1 104 104 ALA N N 139 130.638 130.638 124.804 5.834 18179 2945 1 5 . 1 1 104 104 ALA HA H 139 4.128 4.128 4.402 -0.274 18179 2946 1 5 . 1 1 104 104 ALA C C 139 170.819 170.819 175.081 -4.262 18179 2947 1 5 . 1 1 104 104 ALA CA C 139 53.517 53.517 51.440 2.077 18179 2948 1 5 . 1 1 104 104 ALA CB C 139 18.047 18.047 21.269 -3.222 18179 2949 1 5 . 1 1 104 104 ALA H H 139 8.340 8.340 8.181 0.159 18179 2950 1 5 . 1 1 105 105 ASP N N 140 113.599 113.599 118.944 -5.345 18179 2951 1 5 . 1 1 105 105 ASP HA H 140 4.356 4.356 4.891 -0.535 18179 2952 1 5 . 1 1 105 105 ASP C C 140 175.173 175.173 175.000 0.173 18179 2953 1 5 . 1 1 105 105 ASP CA C 140 54.097 54.097 54.018 0.079 18179 2954 1 5 . 1 1 105 105 ASP CB C 140 39.219 39.219 42.258 -3.039 18179 2955 1 5 . 1 1 105 105 ASP H H 140 9.653 9.653 8.374 1.279 18179 2956 1 5 . 1 1 106 106 ILE N N 141 122.867 122.867 121.916 0.951 18179 2957 1 5 . 1 1 106 106 ILE HA H 141 4.332 4.332 4.440 -0.108 18179 2958 1 5 . 1 1 106 106 ILE C C 141 174.778 174.778 176.230 -1.452 18179 2959 1 5 . 1 1 106 106 ILE CA C 141 62.464 62.464 60.773 1.691 18179 2960 1 5 . 1 1 106 106 ILE CB C 141 36.210 36.210 39.232 -3.022 18179 2961 1 5 . 1 1 106 106 ILE H H 141 7.541 7.541 8.453 -0.912 18179 2962 1 5 . 1 1 107 107 THR N N 142 117.525 117.525 122.150 -4.625 18179 2963 1 5 . 1 1 107 107 THR HA H 142 4.721 4.721 4.462 0.259 18179 2964 1 5 . 1 1 107 107 THR C C 142 175.898 175.898 175.230 0.668 18179 2965 1 5 . 1 1 107 107 THR CA C 142 59.199 59.199 60.772 -1.573 18179 2966 1 5 . 1 1 107 107 THR CB C 142 71.817 71.817 69.349 2.468 18179 2967 1 5 . 1 1 107 107 THR H H 142 7.816 7.816 8.548 -0.732 18179 2968 1 5 . 1 1 108 108 GLY N N 143 109.853 109.853 107.486 2.367 18179 2969 1 5 . 1 1 108 108 GLY C C 143 174.389 174.389 174.360 0.029 18179 2970 1 5 . 1 1 108 108 GLY CA C 143 44.291 44.291 44.404 -0.113 18179 2971 1 5 . 1 1 108 108 GLY H H 143 8.891 8.891 8.323 0.568 18179 2972 1 5 . 1 1 109 109 ARG N N 144 116.076 116.076 121.930 -5.854 18179 2973 1 5 . 1 1 109 109 ARG HA H 144 4.006 4.006 3.967 0.039 18179 2974 1 5 . 1 1 109 109 ARG C C 144 176.521 176.521 175.673 0.848 18179 2975 1 5 . 1 1 109 109 ARG CA C 144 55.989 55.989 57.058 -1.069 18179 2976 1 5 . 1 1 109 109 ARG CB C 144 30.851 30.851 30.483 0.368 18179 2977 1 5 . 1 1 109 109 ARG H H 144 8.108 8.108 8.566 -0.458 18179 2978 1 5 . 1 1 110 110 TYR N N 145 123.010 123.010 116.350 6.660 18179 2979 1 5 . 1 1 110 110 TYR HA H 145 4.506 4.506 4.598 -0.092 18179 2980 1 5 . 1 1 110 110 TYR C C 145 178.395 178.395 174.612 3.783 18179 2981 1 5 . 1 1 110 110 TYR CA C 145 57.217 57.217 57.533 -0.316 18179 2982 1 5 . 1 1 110 110 TYR CB C 145 37.232 37.232 40.592 -3.360 18179 2983 1 5 . 1 1 110 110 TYR H H 145 8.825 8.825 7.441 1.384 18179 2984 1 5 . 1 1 111 111 SER N N 146 120.152 120.152 116.976 3.176 18179 2985 1 5 . 1 1 111 111 SER HA H 146 3.948 3.948 4.451 -0.503 18179 2986 1 5 . 1 1 111 111 SER C C 146 174.939 174.939 175.265 -0.326 18179 2987 1 5 . 1 1 111 111 SER CA C 146 60.850 60.850 59.104 1.746 18179 2988 1 5 . 1 1 111 111 SER CB C 146 62.776 62.776 63.506 -0.730 18179 2989 1 5 . 1 1 111 111 SER H H 146 8.616 8.616 8.531 0.085 18179 2990 1 5 . 1 1 112 112 ASN N N 147 116.146 116.146 119.950 -3.804 18179 2991 1 5 . 1 1 112 112 ASN HA H 147 4.558 4.558 4.749 -0.191 18179 2992 1 5 . 1 1 112 112 ASN C C 147 173.693 173.693 175.404 -1.711 18179 2993 1 5 . 1 1 112 112 ASN CA C 147 53.209 53.209 54.409 -1.200 18179 2994 1 5 . 1 1 112 112 ASN CB C 147 37.534 37.534 38.778 -1.244 18179 2995 1 5 . 1 1 112 112 ASN H H 147 8.374 8.374 8.188 0.186 18179 2996 1 5 . 1 1 113 113 ARG N N 148 121.673 121.673 119.944 1.729 18179 2997 1 5 . 1 1 113 113 ARG HA H 148 4.226 4.226 4.580 -0.354 18179 2998 1 5 . 1 1 113 113 ARG C C 148 176.358 176.358 175.566 0.792 18179 2999 1 5 . 1 1 113 113 ARG CA C 148 55.251 55.251 55.529 -0.278 18179 3000 1 5 . 1 1 113 113 ARG CB C 148 30.973 30.973 29.083 1.890 18179 3001 1 5 . 1 1 113 113 ARG H H 148 6.782 6.782 8.414 -1.632 18179 3002 1 5 . 1 1 114 114 LEU N N 149 125.966 125.966 120.916 5.050 18179 3003 1 5 . 1 1 114 114 LEU HA H 149 3.776 3.776 4.157 -0.381 18179 3004 1 5 . 1 1 114 114 LEU C C 149 175.787 175.787 175.511 0.276 18179 3005 1 5 . 1 1 114 114 LEU CA C 149 57.640 57.640 55.620 2.020 18179 3006 1 5 . 1 1 114 114 LEU CB C 149 43.153 43.153 42.352 0.801 18179 3007 1 5 . 1 1 114 114 LEU H H 149 9.976 9.976 7.797 2.179 18179 3008 1 5 . 1 1 115 115 TYR N N 150 115.137 115.137 117.522 -2.385 18179 3009 1 5 . 1 1 115 115 TYR HA H 150 4.947 4.947 4.534 0.413 18179 3010 1 5 . 1 1 115 115 TYR C C 150 174.449 174.449 174.064 0.385 18179 3011 1 5 . 1 1 115 115 TYR CA C 150 55.986 55.986 57.518 -1.532 18179 3012 1 5 . 1 1 115 115 TYR CB C 150 38.660 38.660 39.914 -1.254 18179 3013 1 5 . 1 1 115 115 TYR H H 150 8.272 8.272 7.754 0.518 18179 3014 1 5 . 1 1 116 116 ALA N N 151 121.349 121.349 128.192 -6.843 18179 3015 1 5 . 1 1 116 116 ALA HA H 151 5.086 5.086 4.801 0.285 18179 3016 1 5 . 1 1 116 116 ALA C C 151 177.541 177.541 175.320 2.221 18179 3017 1 5 . 1 1 116 116 ALA CA C 151 51.614 51.614 51.559 0.055 18179 3018 1 5 . 1 1 116 116 ALA CB C 151 21.262 21.262 21.287 -0.025 18179 3019 1 5 . 1 1 116 116 ALA H H 151 7.515 7.515 8.153 -0.638 18179 3020 1 5 . 1 1 117 117 TYR N N 152 115.287 115.287 116.859 -1.572 18179 3021 1 5 . 1 1 117 117 TYR HA H 152 4.693 4.693 4.687 0.006 18179 3022 1 5 . 1 1 117 117 TYR C C 152 173.749 173.749 175.601 -1.852 18179 3023 1 5 . 1 1 117 117 TYR CA C 152 58.142 58.142 57.332 0.810 18179 3024 1 5 . 1 1 117 117 TYR CB C 152 42.827 42.827 39.555 3.272 18179 3025 1 5 . 1 1 117 117 TYR H H 152 6.916 6.916 8.681 -1.765 18179 3026 1 5 . 1 1 118 118 GLU N N 153 122.624 122.624 120.014 2.610 18179 3027 1 5 . 1 1 118 118 GLU HA H 153 4.951 4.951 4.581 0.370 18179 3028 1 5 . 1 1 118 118 GLU C C 153 175.895 175.895 176.069 -0.174 18179 3029 1 5 . 1 1 118 118 GLU CA C 153 54.029 54.029 54.084 -0.055 18179 3030 1 5 . 1 1 118 118 GLU CB C 153 29.513 29.513 29.887 -0.374 18179 3031 1 5 . 1 1 118 118 GLU H H 153 9.508 9.508 8.228 1.280 18179 3032 1 5 . 1 1 119 119 PRO HA H 154 4.119 4.119 4.350 -0.231 18179 3033 1 5 . 1 1 119 119 PRO C C 154 176.457 176.457 177.207 -0.750 18179 3034 1 5 . 1 1 119 119 PRO CA C 154 66.240 66.240 64.910 1.330 18179 3035 1 5 . 1 1 119 119 PRO CB C 154 31.682 31.682 31.696 -0.014 18179 3036 1 5 . 1 1 120 120 ALA N N 155 114.721 114.721 121.972 -7.251 18179 3037 1 5 . 1 1 120 120 ALA HA H 155 4.372 4.372 4.165 0.207 18179 3038 1 5 . 1 1 120 120 ALA C C 155 178.528 178.528 179.118 -0.590 18179 3039 1 5 . 1 1 120 120 ALA CA C 155 53.148 53.148 54.701 -1.553 18179 3040 1 5 . 1 1 120 120 ALA CB C 155 18.782 18.782 18.940 -0.158 18179 3041 1 5 . 1 1 120 120 ALA H H 155 7.697 7.697 7.901 -0.204 18179 3042 1 5 . 1 1 121 121 ASP N N 156 117.502 117.502 117.486 0.016 18179 3043 1 5 . 1 1 121 121 ASP HA H 156 5.154 5.154 4.790 0.364 18179 3044 1 5 . 1 1 121 121 ASP C C 156 176.756 176.756 177.265 -0.509 18179 3045 1 5 . 1 1 121 121 ASP CA C 156 54.742 54.742 54.839 -0.097 18179 3046 1 5 . 1 1 121 121 ASP CB C 156 42.326 42.326 40.353 1.973 18179 3047 1 5 . 1 1 121 121 ASP H H 156 8.493 8.493 7.806 0.687 18179 3048 1 5 . 1 1 122 122 THR N N 157 111.372 111.372 113.179 -1.807 18179 3049 1 5 . 1 1 122 122 THR HA H 157 3.738 3.738 4.101 -0.363 18179 3050 1 5 . 1 1 122 122 THR C C 157 176.023 176.023 175.700 0.323 18179 3051 1 5 . 1 1 122 122 THR CA C 157 66.673 66.673 65.927 0.746 18179 3052 1 5 . 1 1 122 122 THR CB C 157 67.967 67.967 68.526 -0.559 18179 3053 1 5 . 1 1 122 122 THR H H 157 7.428 7.428 7.651 -0.223 18179 3054 1 5 . 1 1 123 123 ALA N N 158 123.853 123.853 124.478 -0.625 18179 3055 1 5 . 1 1 123 123 ALA HA H 158 4.133 4.133 4.158 -0.025 18179 3056 1 5 . 1 1 123 123 ALA C C 158 179.987 179.987 179.200 0.787 18179 3057 1 5 . 1 1 123 123 ALA CA C 158 55.545 55.545 54.931 0.614 18179 3058 1 5 . 1 1 123 123 ALA CB C 158 17.458 17.458 17.924 -0.466 18179 3059 1 5 . 1 1 123 123 ALA H H 158 8.663 8.663 7.964 0.699 18179 3060 1 5 . 1 1 124 124 LEU N N 159 121.199 121.199 119.617 1.582 18179 3061 1 5 . 1 1 124 124 LEU HA H 159 4.229 4.229 4.000 0.229 18179 3062 1 5 . 1 1 124 124 LEU C C 159 178.342 178.342 178.646 -0.304 18179 3063 1 5 . 1 1 124 124 LEU CA C 159 57.329 57.329 57.320 0.009 18179 3064 1 5 . 1 1 124 124 LEU CB C 159 41.956 41.956 42.005 -0.049 18179 3065 1 5 . 1 1 124 124 LEU H H 159 7.444 7.444 7.872 -0.428 18179 3066 1 5 . 1 1 125 125 LEU N N 160 119.836 119.836 118.604 1.232 18179 3067 1 5 . 1 1 125 125 LEU HA H 160 3.963 3.963 3.926 0.037 18179 3068 1 5 . 1 1 125 125 LEU C C 160 178.168 178.168 179.373 -1.205 18179 3069 1 5 . 1 1 125 125 LEU CA C 160 58.475 58.475 57.763 0.712 18179 3070 1 5 . 1 1 125 125 LEU CB C 160 40.915 40.915 41.301 -0.386 18179 3071 1 5 . 1 1 125 125 LEU H H 160 8.430 8.430 7.798 0.632 18179 3072 1 5 . 1 1 126 126 LEU N N 161 120.046 120.046 121.219 -1.173 18179 3073 1 5 . 1 1 126 126 LEU HA H 161 4.000 4.000 3.893 0.107 18179 3074 1 5 . 1 1 126 126 LEU C C 161 178.848 178.848 177.893 0.955 18179 3075 1 5 . 1 1 126 126 LEU CA C 161 58.524 58.524 58.448 0.076 18179 3076 1 5 . 1 1 126 126 LEU CB C 161 42.005 42.005 41.627 0.378 18179 3077 1 5 . 1 1 126 126 LEU H H 161 8.127 8.127 7.741 0.386 18179 3078 1 5 . 1 1 127 127 ASP N N 162 119.057 119.057 118.482 0.575 18179 3079 1 5 . 1 1 127 127 ASP HA H 162 4.267 4.267 4.146 0.121 18179 3080 1 5 . 1 1 127 127 ASP C C 162 179.299 179.299 178.556 0.743 18179 3081 1 5 . 1 1 127 127 ASP CA C 162 57.699 57.699 57.718 -0.019 18179 3082 1 5 . 1 1 127 127 ASP CB C 162 40.564 40.564 40.792 -0.228 18179 3083 1 5 . 1 1 127 127 ASP H H 162 7.872 7.872 8.277 -0.405 18179 3084 1 5 . 1 1 128 128 ASN N N 163 122.268 122.268 118.307 3.961 18179 3085 1 5 . 1 1 128 128 ASN HA H 163 4.423 4.423 4.362 0.061 18179 3086 1 5 . 1 1 128 128 ASN C C 163 177.256 177.256 177.020 0.236 18179 3087 1 5 . 1 1 128 128 ASN CA C 163 54.502 54.502 56.003 -1.501 18179 3088 1 5 . 1 1 128 128 ASN CB C 163 36.821 36.821 38.559 -1.738 18179 3089 1 5 . 1 1 128 128 ASN H H 163 8.711 8.711 8.298 0.413 18179 3090 1 5 . 1 1 129 129 MET N N 164 122.448 122.448 119.459 2.989 18179 3091 1 5 . 1 1 129 129 MET HA H 164 3.583 3.583 3.465 0.118 18179 3092 1 5 . 1 1 129 129 MET C C 164 178.272 178.272 177.759 0.513 18179 3093 1 5 . 1 1 129 129 MET CA C 164 59.617 59.617 58.379 1.238 18179 3094 1 5 . 1 1 129 129 MET CB C 164 34.481 34.481 32.666 1.815 18179 3095 1 5 . 1 1 129 129 MET H H 164 8.704 8.704 8.223 0.481 18179 3096 1 5 . 1 1 130 130 LYS N N 165 117.243 117.243 118.469 -1.226 18179 3097 1 5 . 1 1 130 130 LYS HA H 165 3.869 3.869 3.961 -0.092 18179 3098 1 5 . 1 1 130 130 LYS C C 165 180.050 180.050 178.911 1.139 18179 3099 1 5 . 1 1 130 130 LYS CA C 165 60.517 60.517 58.103 2.413 18179 3100 1 5 . 1 1 130 130 LYS CB C 165 31.836 31.836 31.657 0.179 18179 3101 1 5 . 1 1 130 130 LYS H H 165 7.767 7.767 8.178 -0.411 18179 3102 1 5 . 1 1 131 131 LYS N N 166 120.486 120.486 120.178 0.308 18179 3103 1 5 . 1 1 131 131 LYS HA H 166 3.853 3.853 3.976 -0.123 18179 3104 1 5 . 1 1 131 131 LYS C C 166 179.232 179.232 179.050 0.182 18179 3105 1 5 . 1 1 131 131 LYS CA C 166 60.171 60.171 58.786 1.385 18179 3106 1 5 . 1 1 131 131 LYS CB C 166 32.783 32.783 31.956 0.827 18179 3107 1 5 . 1 1 131 131 LYS H H 166 7.914 7.914 7.552 0.362 18179 3108 1 5 . 1 1 132 132 ALA N N 167 122.426 122.426 120.500 1.926 18179 3109 1 5 . 1 1 132 132 ALA HA H 167 3.625 3.625 4.167 -0.542 18179 3110 1 5 . 1 1 132 132 ALA C C 167 177.616 177.616 178.336 -0.720 18179 3111 1 5 . 1 1 132 132 ALA CA C 167 54.246 54.246 53.864 0.382 18179 3112 1 5 . 1 1 132 132 ALA CB C 167 18.261 18.261 18.154 0.107 18179 3113 1 5 . 1 1 132 132 ALA H H 167 7.801 7.801 7.288 0.513 18179 3114 1 5 . 1 1 133 133 LEU N N 168 113.735 113.735 116.686 -2.951 18179 3115 1 5 . 1 1 133 133 LEU HA H 168 3.747 3.747 4.147 -0.400 18179 3116 1 5 . 1 1 133 133 LEU C C 168 177.322 177.322 175.717 1.605 18179 3117 1 5 . 1 1 133 133 LEU CA C 168 55.892 55.892 55.927 -0.035 18179 3118 1 5 . 1 1 133 133 LEU CB C 168 42.159 42.159 42.739 -0.580 18179 3119 1 5 . 1 1 133 133 LEU H H 168 7.010 7.010 7.009 0.001 18179 3120 1 5 . 1 1 134 134 LYS N N 169 123.034 123.034 117.602 5.432 18179 3121 1 5 . 1 1 134 134 LYS HA H 169 4.331 4.331 4.466 -0.135 18179 3122 1 5 . 1 1 134 134 LYS C C 169 174.307 174.307 175.451 -1.144 18179 3123 1 5 . 1 1 134 134 LYS CA C 169 55.382 55.382 54.464 0.918 18179 3124 1 5 . 1 1 134 134 LYS CB C 169 29.718 29.718 33.114 -3.396 18179 3125 1 5 . 1 1 134 134 LYS H H 169 7.202 7.202 7.326 -0.124 18179 3126 1 5 . 1 1 135 135 LEU N N 170 120.490 120.490 122.767 -2.277 18179 3127 1 5 . 1 1 135 135 LEU HA H 170 3.980 3.980 4.215 -0.235 18179 3128 1 5 . 1 1 135 135 LEU C C 170 178.427 178.427 175.947 2.480 18179 3129 1 5 . 1 1 135 135 LEU CA C 170 54.884 54.884 55.884 -1.000 18179 3130 1 5 . 1 1 135 135 LEU CB C 170 40.903 40.903 40.837 0.066 18179 3131 1 5 . 1 1 135 135 LEU H H 170 7.334 7.334 8.373 -1.039 18179 3132 1 5 . 1 1 136 136 LEU N N 171 120.084 120.084 127.179 -7.095 18179 3133 1 5 . 1 1 136 136 LEU HA H 171 4.040 4.040 4.409 -0.369 18179 3134 1 5 . 1 1 136 136 LEU C C 171 178.231 178.231 174.521 3.710 18179 3135 1 5 . 1 1 136 136 LEU CA C 171 55.750 55.750 55.488 0.262 18179 3136 1 5 . 1 1 136 136 LEU CB C 171 41.734 41.734 44.682 -2.949 18179 3137 1 5 . 1 1 136 136 LEU H H 171 8.614 8.614 8.027 0.587 18179 3138 1 5 . 1 1 137 137 LYS N N 172 121.059 121.059 123.015 -1.956 18179 3139 1 5 . 1 1 137 137 LYS HA H 172 4.333 4.333 4.578 -0.245 18179 3140 1 5 . 1 1 137 137 LYS C C 172 174.388 174.388 175.165 -0.777 18179 3141 1 5 . 1 1 137 137 LYS CA C 172 55.903 55.903 55.429 0.474 18179 3142 1 5 . 1 1 137 137 LYS CB C 172 32.681 32.681 32.479 0.202 18179 3143 1 5 . 1 1 137 137 LYS H H 172 8.468 8.468 8.253 0.215 18179 3144 1 5 . 1 1 138 138 THR N N 173 116.267 116.267 114.883 1.384 18179 3145 1 5 . 1 1 138 138 THR HA H 173 4.261 4.261 4.420 -0.159 18179 3146 1 5 . 1 1 138 138 THR C C 173 174.267 174.267 174.739 -0.472 18179 3147 1 5 . 1 1 138 138 THR CA C 173 61.867 61.867 61.475 0.392 18179 3148 1 5 . 1 1 138 138 THR CB C 173 69.848 69.848 70.527 -0.679 18179 3149 1 5 . 1 1 138 138 THR H H 173 8.095 8.095 7.741 0.354 18179 3150 1 5 . 1 1 139 139 GLU N N 174 123.648 123.648 125.457 -1.809 18179 3151 1 5 . 1 1 139 139 GLU HA H 174 4.288 4.288 4.399 -0.111 18179 3152 1 5 . 1 1 139 139 GLU C C 174 175.178 175.178 176.235 -1.057 18179 3153 1 5 . 1 1 139 139 GLU CA C 174 56.205 56.205 56.884 -0.679 18179 3154 1 5 . 1 1 139 139 GLU CB C 174 30.353 30.353 30.239 0.114 18179 3155 1 5 . 1 1 139 139 GLU H H 174 8.293 8.293 8.735 -0.442 18179 3156 1 6 . 1 1 17 17 LEU N N 52 120.529 120.529 122.608 -2.079 18179 3157 1 6 . 1 1 17 17 LEU HA H 52 4.317 4.317 4.185 0.132 18179 3158 1 6 . 1 1 17 17 LEU CA C 52 53.456 53.456 53.866 -0.410 18179 3159 1 6 . 1 1 17 17 LEU CB C 52 42.494 42.494 43.525 -1.031 18179 3160 1 6 . 1 1 17 17 LEU H H 52 7.103 7.103 8.486 -1.383 18179 3161 1 6 . 1 1 18 18 ILE CB C 53 36.458 36.458 36.873 -0.415 18179 3162 1 6 . 1 1 23 23 TYR HA H 58 4.359 4.359 4.115 0.244 18179 3163 1 6 . 1 1 23 23 TYR C C 58 176.387 176.387 177.052 -0.665 18179 3164 1 6 . 1 1 23 23 TYR CA C 58 59.597 59.597 62.790 -3.193 18179 3165 1 6 . 1 1 23 23 TYR CB C 58 38.572 38.572 38.526 0.046 18179 3166 1 6 . 1 1 24 24 GLU N N 59 117.335 117.335 118.955 -1.620 18179 3167 1 6 . 1 1 24 24 GLU CA C 59 60.871 60.871 59.304 1.567 18179 3168 1 6 . 1 1 24 24 GLU CB C 59 28.494 28.494 28.433 0.061 18179 3169 1 6 . 1 1 24 24 GLU H H 59 9.191 9.191 8.757 0.434 18179 3170 1 6 . 1 1 25 25 ALA N N 60 120.861 120.861 123.189 -2.328 18179 3171 1 6 . 1 1 25 25 ALA CA C 60 54.555 54.555 54.973 -0.418 18179 3172 1 6 . 1 1 25 25 ALA CB C 60 18.528 18.528 17.933 0.595 18179 3173 1 6 . 1 1 25 25 ALA H H 60 7.688 7.688 8.374 -0.686 18179 3174 1 6 . 1 1 26 26 ALA N N 61 123.402 123.402 121.525 1.877 18179 3175 1 6 . 1 1 26 26 ALA HA H 61 3.900 3.900 4.159 -0.259 18179 3176 1 6 . 1 1 26 26 ALA CA C 61 55.346 55.346 54.534 0.812 18179 3177 1 6 . 1 1 26 26 ALA CB C 61 19.104 19.104 18.570 0.534 18179 3178 1 6 . 1 1 26 26 ALA H H 61 8.225 8.225 8.487 -0.262 18179 3179 1 6 . 1 1 27 27 LEU N N 62 118.742 118.742 121.750 -3.008 18179 3180 1 6 . 1 1 27 27 LEU HA H 62 3.700 3.700 4.167 -0.467 18179 3181 1 6 . 1 1 27 27 LEU C C 62 171.911 171.911 178.887 -6.976 18179 3182 1 6 . 1 1 27 27 LEU CA C 62 57.654 57.654 57.681 -0.027 18179 3183 1 6 . 1 1 27 27 LEU CB C 62 41.905 41.905 40.760 1.145 18179 3184 1 6 . 1 1 27 27 LEU H H 62 8.336 8.336 8.254 0.082 18179 3185 1 6 . 1 1 28 28 TYR N N 63 117.594 117.594 120.454 -2.860 18179 3186 1 6 . 1 1 28 28 TYR HA H 63 4.007 4.007 3.998 0.009 18179 3187 1 6 . 1 1 28 28 TYR C C 63 179.075 179.075 177.396 1.679 18179 3188 1 6 . 1 1 28 28 TYR CA C 63 61.769 61.769 62.537 -0.768 18179 3189 1 6 . 1 1 28 28 TYR CB C 63 38.071 38.071 38.493 -0.422 18179 3190 1 6 . 1 1 28 28 TYR H H 63 7.279 7.279 9.016 -1.737 18179 3191 1 6 . 1 1 29 29 LYS N N 64 121.077 121.077 118.792 2.285 18179 3192 1 6 . 1 1 29 29 LYS HA H 64 3.663 3.663 3.940 -0.277 18179 3193 1 6 . 1 1 29 29 LYS C C 64 176.394 176.394 178.787 -2.393 18179 3194 1 6 . 1 1 29 29 LYS CA C 64 59.230 59.230 59.493 -0.263 18179 3195 1 6 . 1 1 29 29 LYS CB C 64 32.573 32.573 32.348 0.225 18179 3196 1 6 . 1 1 29 29 LYS H H 64 8.472 8.472 8.259 0.213 18179 3197 1 6 . 1 1 30 30 SER N N 65 117.933 117.933 114.644 3.289 18179 3198 1 6 . 1 1 30 30 SER HA H 65 4.160 4.160 4.302 -0.142 18179 3199 1 6 . 1 1 30 30 SER C C 65 176.518 176.518 176.535 -0.017 18179 3200 1 6 . 1 1 30 30 SER CA C 65 61.706 61.706 61.681 0.025 18179 3201 1 6 . 1 1 30 30 SER CB C 65 64.022 64.022 62.834 1.188 18179 3202 1 6 . 1 1 30 30 SER H H 65 8.500 8.500 7.895 0.605 18179 3203 1 6 . 1 1 31 31 LYS N N 66 117.248 117.248 124.107 -6.859 18179 3204 1 6 . 1 1 31 31 LYS HA H 66 4.301 4.301 4.037 0.264 18179 3205 1 6 . 1 1 31 31 LYS C C 66 179.721 179.721 178.829 0.892 18179 3206 1 6 . 1 1 31 31 LYS CA C 66 59.165 59.165 58.755 0.409 18179 3207 1 6 . 1 1 31 31 LYS CB C 66 32.372 32.372 31.683 0.689 18179 3208 1 6 . 1 1 31 31 LYS H H 66 8.020 8.020 8.328 -0.308 18179 3209 1 6 . 1 1 32 32 THR N N 67 109.772 109.772 112.588 -2.816 18179 3210 1 6 . 1 1 32 32 THR HA H 67 3.883 3.883 3.966 -0.083 18179 3211 1 6 . 1 1 32 32 THR C C 67 176.237 176.237 175.677 0.560 18179 3212 1 6 . 1 1 32 32 THR CA C 67 64.813 64.813 64.539 0.274 18179 3213 1 6 . 1 1 32 32 THR CB C 67 69.445 69.445 68.414 1.031 18179 3214 1 6 . 1 1 32 32 THR H H 67 7.844 7.844 7.599 0.245 18179 3215 1 6 . 1 1 33 33 SER N N 68 115.610 115.610 116.045 -0.435 18179 3216 1 6 . 1 1 33 33 SER HA H 68 4.369 4.369 4.386 -0.017 18179 3217 1 6 . 1 1 33 33 SER C C 68 174.628 174.628 173.784 0.844 18179 3218 1 6 . 1 1 33 33 SER CA C 68 59.242 59.242 59.676 -0.434 18179 3219 1 6 . 1 1 33 33 SER CB C 68 65.166 65.166 64.026 1.140 18179 3220 1 6 . 1 1 33 33 SER H H 68 8.047 8.047 7.306 0.741 18179 3221 1 6 . 1 1 34 34 ASN N N 69 110.215 110.215 116.052 -5.837 18179 3222 1 6 . 1 1 34 34 ASN HA H 69 4.181 4.181 4.499 -0.318 18179 3223 1 6 . 1 1 34 34 ASN C C 69 173.253 173.253 173.565 -0.312 18179 3224 1 6 . 1 1 34 34 ASN CA C 69 54.302 54.302 53.696 0.606 18179 3225 1 6 . 1 1 34 34 ASN CB C 69 38.506 38.506 37.496 1.010 18179 3226 1 6 . 1 1 34 34 ASN H H 69 8.061 8.061 8.332 -0.271 18179 3227 1 6 . 1 1 35 35 LYS N N 70 117.312 117.312 120.222 -2.910 18179 3228 1 6 . 1 1 35 35 LYS HA H 70 4.676 4.676 4.696 -0.020 18179 3229 1 6 . 1 1 35 35 LYS CA C 70 53.385 53.385 52.849 0.536 18179 3230 1 6 . 1 1 35 35 LYS CB C 70 34.049 34.049 34.452 -0.403 18179 3231 1 6 . 1 1 35 35 LYS H H 70 7.589 7.589 7.563 0.026 18179 3232 1 6 . 1 1 36 36 PRO HA H 71 4.371 4.371 4.176 0.195 18179 3233 1 6 . 1 1 36 36 PRO C C 71 172.189 172.189 175.916 -3.727 18179 3234 1 6 . 1 1 36 36 PRO CA C 71 62.356 62.356 62.923 -0.567 18179 3235 1 6 . 1 1 36 36 PRO CB C 71 31.785 31.785 31.485 0.300 18179 3236 1 6 . 1 1 37 37 LEU N N 72 122.894 122.894 125.238 -2.344 18179 3237 1 6 . 1 1 37 37 LEU HA H 72 5.392 5.392 4.710 0.682 18179 3238 1 6 . 1 1 37 37 LEU C C 72 174.422 174.422 175.503 -1.081 18179 3239 1 6 . 1 1 37 37 LEU CA C 72 52.656 52.656 53.827 -1.171 18179 3240 1 6 . 1 1 37 37 LEU CB C 72 45.220 45.220 41.449 3.771 18179 3241 1 6 . 1 1 37 37 LEU H H 72 8.936 8.936 8.185 0.751 18179 3242 1 6 . 1 1 38 38 MET N N 73 128.922 128.922 125.261 3.661 18179 3243 1 6 . 1 1 38 38 MET C C 73 172.488 172.488 174.471 -1.983 18179 3244 1 6 . 1 1 38 38 MET CA C 73 54.806 54.806 54.400 0.406 18179 3245 1 6 . 1 1 38 38 MET CB C 73 35.127 35.127 35.041 0.086 18179 3246 1 6 . 1 1 38 38 MET H H 73 8.965 8.965 8.252 0.713 18179 3247 1 6 . 1 1 39 39 ILE N N 74 124.016 124.016 128.163 -4.147 18179 3248 1 6 . 1 1 39 39 ILE HA H 74 4.819 4.819 4.140 0.679 18179 3249 1 6 . 1 1 39 39 ILE C C 74 175.018 175.018 174.758 0.260 18179 3250 1 6 . 1 1 39 39 ILE CA C 74 59.688 59.688 59.987 -0.299 18179 3251 1 6 . 1 1 39 39 ILE CB C 74 40.407 40.407 37.587 2.821 18179 3252 1 6 . 1 1 39 39 ILE H H 74 8.727 8.727 8.433 0.294 18179 3253 1 6 . 1 1 40 40 ILE N N 75 126.837 126.837 127.985 -1.148 18179 3254 1 6 . 1 1 40 40 ILE HA H 75 4.038 4.038 4.014 0.024 18179 3255 1 6 . 1 1 40 40 ILE C C 75 175.282 175.282 175.515 -0.233 18179 3256 1 6 . 1 1 40 40 ILE CA C 75 60.408 60.408 60.166 0.242 18179 3257 1 6 . 1 1 40 40 ILE CB C 75 40.028 40.028 37.958 2.070 18179 3258 1 6 . 1 1 40 40 ILE H H 75 8.587 8.587 7.926 0.661 18179 3259 1 6 . 1 1 41 41 HIS N N 76 128.633 128.633 123.150 5.483 18179 3260 1 6 . 1 1 41 41 HIS CA C 76 56.453 56.453 54.638 1.815 18179 3261 1 6 . 1 1 41 41 HIS CB C 76 29.368 29.368 33.411 -4.043 18179 3262 1 6 . 1 1 41 41 HIS H H 76 9.145 9.145 8.148 0.997 18179 3263 1 6 . 1 1 42 42 HIS HA H 77 4.822 4.822 4.786 0.036 18179 3264 1 6 . 1 1 42 42 HIS C C 77 170.942 170.942 172.133 -1.191 18179 3265 1 6 . 1 1 42 42 HIS CA C 77 54.441 54.441 55.322 -0.881 18179 3266 1 6 . 1 1 42 42 HIS CB C 77 34.768 34.768 32.376 2.392 18179 3267 1 6 . 1 1 43 43 LEU N N 78 114.526 114.526 120.687 -6.161 18179 3268 1 6 . 1 1 43 43 LEU HA H 78 4.540 4.540 4.775 -0.235 18179 3269 1 6 . 1 1 43 43 LEU C C 78 177.855 177.855 175.631 2.224 18179 3270 1 6 . 1 1 43 43 LEU CA C 78 54.020 54.020 54.075 -0.055 18179 3271 1 6 . 1 1 43 43 LEU CB C 78 46.643 46.643 46.715 -0.072 18179 3272 1 6 . 1 1 43 43 LEU H H 78 7.077 7.077 8.107 -1.030 18179 3273 1 6 . 1 1 44 44 ASP N N 79 123.675 123.675 117.955 5.720 18179 3274 1 6 . 1 1 44 44 ASP HA H 79 4.452 4.452 4.575 -0.123 18179 3275 1 6 . 1 1 44 44 ASP C C 79 177.872 177.872 176.038 1.834 18179 3276 1 6 . 1 1 44 44 ASP CA C 79 57.458 57.458 54.831 2.627 18179 3277 1 6 . 1 1 44 44 ASP CB C 79 40.739 40.739 41.213 -0.474 18179 3278 1 6 . 1 1 44 44 ASP H H 79 8.783 8.783 8.403 0.380 18179 3279 1 6 . 1 1 45 45 GLU N N 80 115.578 115.578 118.716 -3.138 18179 3280 1 6 . 1 1 45 45 GLU HA H 80 4.156 4.156 4.160 -0.004 18179 3281 1 6 . 1 1 45 45 GLU C C 80 175.108 175.108 175.623 -0.515 18179 3282 1 6 . 1 1 45 45 GLU CA C 80 56.661 56.661 57.174 -0.513 18179 3283 1 6 . 1 1 45 45 GLU CB C 80 28.604 28.604 29.586 -0.982 18179 3284 1 6 . 1 1 45 45 GLU H H 80 9.146 9.146 8.498 0.648 18179 3285 1 6 . 1 1 46 46 CYS N N 81 125.642 125.642 116.343 9.299 18179 3286 1 6 . 1 1 46 46 CYS HA H 81 4.814 4.814 4.709 0.105 18179 3287 1 6 . 1 1 46 46 CYS C C 81 175.453 175.453 172.418 3.035 18179 3288 1 6 . 1 1 46 46 CYS CA C 81 56.298 56.298 55.765 0.533 18179 3289 1 6 . 1 1 46 46 CYS CB C 81 30.378 30.378 29.849 0.529 18179 3290 1 6 . 1 1 46 46 CYS H H 81 7.146 7.146 7.280 -0.134 18179 3291 1 6 . 1 1 47 47 PRO HA H 82 4.311 4.311 4.261 0.050 18179 3292 1 6 . 1 1 47 47 PRO CA C 82 64.536 64.536 63.742 0.794 18179 3293 1 6 . 1 1 47 47 PRO CB C 82 32.069 32.069 31.787 0.282 18179 3294 1 6 . 1 1 48 48 HIS N N 83 124.416 124.416 123.448 0.968 18179 3295 1 6 . 1 1 48 48 HIS HA H 83 4.511 4.511 4.443 0.068 18179 3296 1 6 . 1 1 48 48 HIS C C 83 178.820 178.820 176.967 1.853 18179 3297 1 6 . 1 1 48 48 HIS CA C 83 59.042 59.042 56.940 2.102 18179 3298 1 6 . 1 1 48 48 HIS CB C 83 28.921 28.921 29.966 -1.045 18179 3299 1 6 . 1 1 48 48 HIS H H 83 8.936 8.936 8.619 0.317 18179 3300 1 6 . 1 1 49 49 SER N N 84 129.973 129.973 118.859 11.114 18179 3301 1 6 . 1 1 49 49 SER HA H 84 4.152 4.152 4.211 -0.059 18179 3302 1 6 . 1 1 49 49 SER C C 84 175.397 175.397 175.945 -0.548 18179 3303 1 6 . 1 1 49 49 SER CA C 84 63.873 63.873 61.234 2.639 18179 3304 1 6 . 1 1 49 49 SER CB C 84 65.516 65.516 62.950 2.566 18179 3305 1 6 . 1 1 49 49 SER H H 84 11.408 11.408 9.056 2.352 18179 3306 1 6 . 1 1 50 50 GLN N N 85 118.214 118.214 121.080 -2.866 18179 3307 1 6 . 1 1 50 50 GLN HA H 85 3.701 3.701 4.013 -0.312 18179 3308 1 6 . 1 1 50 50 GLN C C 85 178.213 178.213 177.918 0.295 18179 3309 1 6 . 1 1 50 50 GLN CA C 85 58.201 58.201 58.755 -0.554 18179 3310 1 6 . 1 1 50 50 GLN CB C 85 27.294 27.294 27.628 -0.334 18179 3311 1 6 . 1 1 50 50 GLN H H 85 8.192 8.192 8.286 -0.094 18179 3312 1 6 . 1 1 51 51 ALA N N 86 121.790 121.790 122.532 -0.742 18179 3313 1 6 . 1 1 51 51 ALA HA H 86 4.099 4.099 4.111 -0.012 18179 3314 1 6 . 1 1 51 51 ALA C C 86 180.512 180.512 179.549 0.963 18179 3315 1 6 . 1 1 51 51 ALA CA C 86 54.742 54.742 54.656 0.086 18179 3316 1 6 . 1 1 51 51 ALA CB C 86 18.559 18.559 18.192 0.367 18179 3317 1 6 . 1 1 51 51 ALA H H 86 7.748 7.748 7.742 0.006 18179 3318 1 6 . 1 1 52 52 LEU N N 87 118.528 118.528 119.131 -0.603 18179 3319 1 6 . 1 1 52 52 LEU HA H 87 4.076 4.076 4.108 -0.032 18179 3320 1 6 . 1 1 52 52 LEU CA C 87 57.266 57.266 57.417 -0.151 18179 3321 1 6 . 1 1 52 52 LEU CB C 87 41.947 41.947 41.927 0.020 18179 3322 1 6 . 1 1 52 52 LEU H H 87 7.918 7.918 7.628 0.290 18179 3323 1 6 . 1 1 53 53 LYS N N 88 120.398 120.398 119.483 0.915 18179 3324 1 6 . 1 1 53 53 LYS H H 88 7.932 7.932 8.348 -0.416 18179 3325 1 6 . 1 1 54 54 LYS N N 89 115.219 115.219 120.304 -5.085 18179 3326 1 6 . 1 1 54 54 LYS HA H 89 3.790 3.790 4.160 -0.370 18179 3327 1 6 . 1 1 54 54 LYS C C 89 178.614 178.614 179.099 -0.485 18179 3328 1 6 . 1 1 54 54 LYS CA C 89 59.308 59.308 59.015 0.293 18179 3329 1 6 . 1 1 54 54 LYS CB C 89 32.530 32.530 31.916 0.614 18179 3330 1 6 . 1 1 54 54 LYS H H 89 6.889 6.889 7.778 -0.889 18179 3331 1 6 . 1 1 55 55 VAL N N 90 110.991 110.991 117.057 -6.066 18179 3332 1 6 . 1 1 55 55 VAL HA H 90 4.049 4.049 3.708 0.341 18179 3333 1 6 . 1 1 55 55 VAL C C 90 178.054 178.054 177.576 0.478 18179 3334 1 6 . 1 1 55 55 VAL CA C 90 64.467 64.467 65.830 -1.363 18179 3335 1 6 . 1 1 55 55 VAL CB C 90 31.625 31.625 30.572 1.053 18179 3336 1 6 . 1 1 55 55 VAL H H 90 6.748 6.748 7.639 -0.891 18179 3337 1 6 . 1 1 56 56 PHE N N 91 124.010 124.010 122.710 1.300 18179 3338 1 6 . 1 1 56 56 PHE HA H 91 3.829 3.829 4.017 -0.188 18179 3339 1 6 . 1 1 56 56 PHE C C 91 177.496 177.496 176.568 0.928 18179 3340 1 6 . 1 1 56 56 PHE CA C 91 61.854 61.854 61.449 0.405 18179 3341 1 6 . 1 1 56 56 PHE CB C 91 41.828 41.828 38.879 2.949 18179 3342 1 6 . 1 1 56 56 PHE H H 91 8.722 8.722 7.589 1.133 18179 3343 1 6 . 1 1 57 57 ALA N N 92 118.444 118.444 119.423 -0.979 18179 3344 1 6 . 1 1 57 57 ALA HA H 92 4.185 4.185 3.880 0.305 18179 3345 1 6 . 1 1 57 57 ALA C C 92 180.660 180.660 178.818 1.842 18179 3346 1 6 . 1 1 57 57 ALA CA C 92 54.288 54.288 54.687 -0.399 18179 3347 1 6 . 1 1 57 57 ALA CB C 92 18.487 18.487 18.613 -0.126 18179 3348 1 6 . 1 1 57 57 ALA H H 92 8.695 8.695 8.196 0.499 18179 3349 1 6 . 1 1 58 58 GLU N N 93 112.263 112.263 117.043 -4.780 18179 3350 1 6 . 1 1 58 58 GLU HA H 93 4.156 4.156 4.268 -0.112 18179 3351 1 6 . 1 1 58 58 GLU C C 93 175.641 175.641 176.872 -1.231 18179 3352 1 6 . 1 1 58 58 GLU CA C 93 55.883 55.883 56.932 -1.049 18179 3353 1 6 . 1 1 58 58 GLU CB C 93 30.495 30.495 30.468 0.027 18179 3354 1 6 . 1 1 58 58 GLU H H 93 7.108 7.108 7.496 -0.388 18179 3355 1 6 . 1 1 59 59 ASN N N 94 120.422 120.422 120.194 0.228 18179 3356 1 6 . 1 1 59 59 ASN HA H 94 4.590 4.590 4.441 0.149 18179 3357 1 6 . 1 1 59 59 ASN C C 94 174.151 174.151 175.985 -1.834 18179 3358 1 6 . 1 1 59 59 ASN CA C 94 54.056 54.056 54.601 -0.545 18179 3359 1 6 . 1 1 59 59 ASN CB C 94 38.723 38.723 38.892 -0.169 18179 3360 1 6 . 1 1 59 59 ASN H H 94 7.269 7.269 8.371 -1.102 18179 3361 1 6 . 1 1 60 60 LYS N N 95 127.497 127.497 125.637 1.860 18179 3362 1 6 . 1 1 60 60 LYS HA H 95 3.770 3.770 4.015 -0.245 18179 3363 1 6 . 1 1 60 60 LYS C C 95 178.959 178.959 178.106 0.853 18179 3364 1 6 . 1 1 60 60 LYS CA C 95 59.337 59.337 59.470 -0.133 18179 3365 1 6 . 1 1 60 60 LYS CB C 95 32.170 32.170 32.520 -0.350 18179 3366 1 6 . 1 1 60 60 LYS H H 95 8.672 8.672 8.608 0.064 18179 3367 1 6 . 1 1 61 61 GLU N N 96 119.409 119.409 119.073 0.336 18179 3368 1 6 . 1 1 61 61 GLU HA H 96 3.984 3.984 4.016 -0.032 18179 3369 1 6 . 1 1 61 61 GLU C C 96 179.574 179.574 178.792 0.782 18179 3370 1 6 . 1 1 61 61 GLU CA C 96 59.955 59.955 59.832 0.123 18179 3371 1 6 . 1 1 61 61 GLU CB C 96 29.246 29.246 29.059 0.187 18179 3372 1 6 . 1 1 61 61 GLU H H 96 7.988 7.988 8.541 -0.553 18179 3373 1 6 . 1 1 62 62 ILE N N 97 122.621 122.621 118.385 4.236 18179 3374 1 6 . 1 1 62 62 ILE HA H 97 3.224 3.224 3.810 -0.586 18179 3375 1 6 . 1 1 62 62 ILE C C 97 177.158 177.158 177.946 -0.788 18179 3376 1 6 . 1 1 62 62 ILE CA C 97 65.787 65.787 64.738 1.049 18179 3377 1 6 . 1 1 62 62 ILE CB C 97 37.710 37.710 37.627 0.083 18179 3378 1 6 . 1 1 62 62 ILE H H 97 8.484 8.484 7.961 0.523 18179 3379 1 6 . 1 1 63 63 GLN N N 98 115.619 115.619 119.635 -4.016 18179 3380 1 6 . 1 1 63 63 GLN HA H 98 3.481 3.481 3.641 -0.160 18179 3381 1 6 . 1 1 63 63 GLN C C 98 178.097 178.097 178.134 -0.037 18179 3382 1 6 . 1 1 63 63 GLN CA C 98 58.601 58.601 58.901 -0.300 18179 3383 1 6 . 1 1 63 63 GLN CB C 98 28.834 28.834 28.217 0.617 18179 3384 1 6 . 1 1 63 63 GLN H H 98 8.046 8.046 7.576 0.470 18179 3385 1 6 . 1 1 64 64 LYS N N 99 116.464 116.464 120.977 -4.513 18179 3386 1 6 . 1 1 64 64 LYS HA H 99 4.125 4.125 4.033 0.092 18179 3387 1 6 . 1 1 64 64 LYS C C 99 179.740 179.740 179.294 0.446 18179 3388 1 6 . 1 1 64 64 LYS CA C 99 57.955 57.955 58.833 -0.878 18179 3389 1 6 . 1 1 64 64 LYS CB C 99 32.054 32.054 31.912 0.142 18179 3390 1 6 . 1 1 64 64 LYS H H 99 7.578 7.578 7.889 -0.311 18179 3391 1 6 . 1 1 65 65 LEU N N 100 122.576 122.576 119.210 3.366 18179 3392 1 6 . 1 1 65 65 LEU HA H 100 4.128 4.128 4.197 -0.069 18179 3393 1 6 . 1 1 65 65 LEU C C 100 178.481 178.481 179.026 -0.545 18179 3394 1 6 . 1 1 65 65 LEU CA C 100 57.044 57.044 58.211 -1.167 18179 3395 1 6 . 1 1 65 65 LEU CB C 100 41.883 41.883 41.549 0.334 18179 3396 1 6 . 1 1 65 65 LEU H H 100 7.916 7.916 8.467 -0.551 18179 3397 1 6 . 1 1 66 66 ALA N N 101 119.534 119.534 120.855 -1.321 18179 3398 1 6 . 1 1 66 66 ALA HA H 101 3.810 3.810 4.139 -0.329 18179 3399 1 6 . 1 1 66 66 ALA C C 101 177.520 177.520 179.706 -2.186 18179 3400 1 6 . 1 1 66 66 ALA CA C 101 54.772 54.772 54.928 -0.156 18179 3401 1 6 . 1 1 66 66 ALA CB C 101 17.737 17.737 18.417 -0.680 18179 3402 1 6 . 1 1 66 66 ALA H H 101 8.511 8.511 8.478 0.033 18179 3403 1 6 . 1 1 67 67 GLU N N 102 113.081 113.081 117.260 -4.179 18179 3404 1 6 . 1 1 67 67 GLU HA H 102 4.113 4.113 4.069 0.044 18179 3405 1 6 . 1 1 67 67 GLU C C 102 178.295 178.295 178.492 -0.197 18179 3406 1 6 . 1 1 67 67 GLU CA C 102 58.285 58.285 58.724 -0.439 18179 3407 1 6 . 1 1 67 67 GLU CB C 102 29.952 29.952 29.588 0.364 18179 3408 1 6 . 1 1 67 67 GLU H H 102 7.039 7.039 7.872 -0.833 18179 3409 1 6 . 1 1 68 68 GLN N N 103 116.244 116.244 117.166 -0.922 18179 3410 1 6 . 1 1 68 68 GLN HA H 103 4.107 4.107 4.221 -0.114 18179 3411 1 6 . 1 1 68 68 GLN C C 103 173.173 173.173 177.706 -4.533 18179 3412 1 6 . 1 1 68 68 GLN CA C 103 56.094 56.094 56.981 -0.887 18179 3413 1 6 . 1 1 68 68 GLN CB C 103 28.703 28.703 29.847 -1.144 18179 3414 1 6 . 1 1 68 68 GLN H H 103 8.167 8.167 7.669 0.498 18179 3415 1 6 . 1 1 69 69 PHE N N 104 116.822 116.822 120.153 -3.331 18179 3416 1 6 . 1 1 69 69 PHE HA H 104 4.645 4.645 5.097 -0.452 18179 3417 1 6 . 1 1 69 69 PHE C C 104 177.346 177.346 176.760 0.586 18179 3418 1 6 . 1 1 69 69 PHE CA C 104 57.254 57.254 58.941 -1.687 18179 3419 1 6 . 1 1 69 69 PHE CB C 104 40.897 40.897 40.738 0.159 18179 3420 1 6 . 1 1 69 69 PHE H H 104 7.633 7.633 8.754 -1.121 18179 3421 1 6 . 1 1 70 70 VAL N N 105 120.799 120.799 120.320 0.479 18179 3422 1 6 . 1 1 70 70 VAL HA H 105 3.867 3.867 3.981 -0.114 18179 3423 1 6 . 1 1 70 70 VAL C C 105 174.191 174.191 174.676 -0.485 18179 3424 1 6 . 1 1 70 70 VAL CA C 105 63.450 63.450 63.412 0.038 18179 3425 1 6 . 1 1 70 70 VAL CB C 105 31.566 31.566 32.200 -0.634 18179 3426 1 6 . 1 1 70 70 VAL H H 105 8.943 8.943 8.201 0.742 18179 3427 1 6 . 1 1 71 71 LEU N N 106 129.105 129.105 124.414 4.691 18179 3428 1 6 . 1 1 71 71 LEU HA H 106 4.850 4.850 4.528 0.322 18179 3429 1 6 . 1 1 71 71 LEU CA C 106 53.854 53.854 54.060 -0.206 18179 3430 1 6 . 1 1 71 71 LEU CB C 106 44.478 44.478 44.347 0.131 18179 3431 1 6 . 1 1 71 71 LEU H H 106 8.432 8.432 8.299 0.133 18179 3432 1 6 . 1 1 72 72 LEU N N 107 123.682 123.682 124.646 -0.964 18179 3433 1 6 . 1 1 72 72 LEU H H 107 8.298 8.298 7.742 0.556 18179 3434 1 6 . 1 1 73 73 ASN N N 108 125.520 125.520 118.134 7.386 18179 3435 1 6 . 1 1 73 73 ASN CA C 108 51.631 51.631 52.326 -0.695 18179 3436 1 6 . 1 1 73 73 ASN CB C 108 41.484 41.484 38.885 2.599 18179 3437 1 6 . 1 1 73 73 ASN H H 108 9.761 9.761 8.403 1.358 18179 3438 1 6 . 1 1 74 74 LEU N N 109 122.070 122.070 121.985 0.085 18179 3439 1 6 . 1 1 74 74 LEU H H 109 8.563 8.563 7.671 0.892 18179 3440 1 6 . 1 1 75 75 VAL HA H 110 5.100 5.100 4.349 0.751 18179 3441 1 6 . 1 1 75 75 VAL CA C 110 59.157 59.157 62.095 -2.938 18179 3442 1 6 . 1 1 76 76 TYR N N 111 120.641 120.641 128.822 -8.181 18179 3443 1 6 . 1 1 76 76 TYR HA H 111 4.569 4.569 4.672 -0.103 18179 3444 1 6 . 1 1 76 76 TYR C C 111 175.393 175.393 174.992 0.401 18179 3445 1 6 . 1 1 76 76 TYR CA C 111 57.736 57.736 58.530 -0.794 18179 3446 1 6 . 1 1 76 76 TYR CB C 111 39.426 39.426 39.762 -0.336 18179 3447 1 6 . 1 1 76 76 TYR H H 111 8.255 8.255 8.452 -0.197 18179 3448 1 6 . 1 1 79 79 THR HA H 114 4.180 4.180 3.951 0.229 18179 3449 1 6 . 1 1 79 79 THR CA C 114 61.295 61.295 64.486 -3.191 18179 3450 1 6 . 1 1 79 79 THR CB C 114 68.683 68.683 68.793 -0.110 18179 3451 1 6 . 1 1 80 80 ASP N N 115 121.026 121.026 121.203 -0.177 18179 3452 1 6 . 1 1 80 80 ASP C C 115 177.959 177.959 176.278 1.681 18179 3453 1 6 . 1 1 80 80 ASP CA C 115 53.276 53.276 52.789 0.486 18179 3454 1 6 . 1 1 80 80 ASP H H 115 7.746 7.746 7.582 0.164 18179 3455 1 6 . 1 1 81 81 LYS N N 116 129.056 129.056 124.878 4.178 18179 3456 1 6 . 1 1 81 81 LYS HA H 116 3.828 3.828 4.098 -0.270 18179 3457 1 6 . 1 1 81 81 LYS C C 116 179.118 179.118 176.983 2.135 18179 3458 1 6 . 1 1 81 81 LYS CA C 116 57.957 57.957 57.487 0.470 18179 3459 1 6 . 1 1 81 81 LYS CB C 116 31.273 31.273 32.632 -1.359 18179 3460 1 6 . 1 1 81 81 LYS H H 116 8.873 8.873 8.887 -0.014 18179 3461 1 6 . 1 1 82 82 HIS N N 117 116.887 116.887 116.654 0.233 18179 3462 1 6 . 1 1 82 82 HIS HA H 117 4.290 4.290 4.486 -0.196 18179 3463 1 6 . 1 1 82 82 HIS C C 117 175.622 175.622 175.918 -0.296 18179 3464 1 6 . 1 1 82 82 HIS CA C 117 57.865 57.865 56.329 1.536 18179 3465 1 6 . 1 1 82 82 HIS CB C 117 27.704 27.704 30.046 -2.342 18179 3466 1 6 . 1 1 82 82 HIS H H 117 8.707 8.707 8.966 -0.259 18179 3467 1 6 . 1 1 83 83 LEU N N 118 113.733 113.733 120.872 -7.139 18179 3468 1 6 . 1 1 83 83 LEU HA H 118 4.290 4.290 4.218 0.072 18179 3469 1 6 . 1 1 83 83 LEU C C 118 175.949 175.949 177.353 -1.404 18179 3470 1 6 . 1 1 83 83 LEU CA C 118 53.982 53.982 56.426 -2.444 18179 3471 1 6 . 1 1 83 83 LEU CB C 118 41.734 41.734 42.281 -0.547 18179 3472 1 6 . 1 1 83 83 LEU H H 118 7.332 7.332 7.291 0.041 18179 3473 1 6 . 1 1 84 84 SER N N 119 111.979 111.979 112.203 -0.224 18179 3474 1 6 . 1 1 84 84 SER HA H 119 4.632 4.632 4.736 -0.104 18179 3475 1 6 . 1 1 84 84 SER C C 119 173.830 173.830 173.180 0.650 18179 3476 1 6 . 1 1 84 84 SER CA C 119 55.581 55.581 55.456 0.125 18179 3477 1 6 . 1 1 84 84 SER CB C 119 62.367 62.367 63.501 -1.134 18179 3478 1 6 . 1 1 84 84 SER H H 119 7.268 7.268 8.102 -0.834 18179 3479 1 6 . 1 1 85 85 PRO HA H 120 4.384 4.384 4.305 0.079 18179 3480 1 6 . 1 1 85 85 PRO C C 120 177.881 177.881 176.736 1.145 18179 3481 1 6 . 1 1 85 85 PRO CA C 120 65.292 65.292 64.594 0.698 18179 3482 1 6 . 1 1 85 85 PRO CB C 120 31.942 31.942 32.132 -0.190 18179 3483 1 6 . 1 1 86 86 ASP N N 121 117.614 117.614 117.808 -0.194 18179 3484 1 6 . 1 1 86 86 ASP HA H 121 4.960 4.960 4.596 0.364 18179 3485 1 6 . 1 1 86 86 ASP C C 121 174.734 174.734 175.875 -1.141 18179 3486 1 6 . 1 1 86 86 ASP CA C 121 51.999 51.999 53.653 -1.654 18179 3487 1 6 . 1 1 86 86 ASP CB C 121 40.327 40.327 40.577 -0.250 18179 3488 1 6 . 1 1 86 86 ASP H H 121 8.882 8.882 8.201 0.681 18179 3489 1 6 . 1 1 87 87 GLY N N 122 106.815 106.815 107.982 -1.167 18179 3490 1 6 . 1 1 87 87 GLY C C 122 173.401 173.401 173.573 -0.172 18179 3491 1 6 . 1 1 87 87 GLY CA C 122 43.814 43.814 44.556 -0.742 18179 3492 1 6 . 1 1 87 87 GLY H H 122 6.973 6.973 7.669 -0.696 18179 3493 1 6 . 1 1 88 88 GLN N N 123 118.319 118.319 121.907 -3.588 18179 3494 1 6 . 1 1 88 88 GLN HA H 123 3.984 3.984 4.295 -0.311 18179 3495 1 6 . 1 1 88 88 GLN C C 123 174.141 174.141 174.844 -0.703 18179 3496 1 6 . 1 1 88 88 GLN CA C 123 54.717 54.717 55.446 -0.729 18179 3497 1 6 . 1 1 88 88 GLN CB C 123 27.267 27.267 29.324 -2.057 18179 3498 1 6 . 1 1 88 88 GLN H H 123 8.224 8.224 7.725 0.499 18179 3499 1 6 . 1 1 89 89 TYR N N 124 117.220 117.220 117.699 -0.479 18179 3500 1 6 . 1 1 89 89 TYR HA H 124 4.596 4.596 4.684 -0.088 18179 3501 1 6 . 1 1 89 89 TYR C C 124 173.402 173.402 176.053 -2.651 18179 3502 1 6 . 1 1 89 89 TYR CA C 124 54.672 54.672 55.816 -1.144 18179 3503 1 6 . 1 1 89 89 TYR CB C 124 38.970 38.970 39.052 -0.082 18179 3504 1 6 . 1 1 89 89 TYR H H 124 5.954 5.954 6.753 -0.799 18179 3505 1 6 . 1 1 90 90 VAL N N 125 109.249 109.249 116.652 -7.403 18179 3506 1 6 . 1 1 90 90 VAL HA H 125 4.572 4.572 3.834 0.738 18179 3507 1 6 . 1 1 90 90 VAL C C 125 173.254 173.254 174.630 -1.376 18179 3508 1 6 . 1 1 90 90 VAL CA C 125 57.982 57.982 64.395 -6.413 18179 3509 1 6 . 1 1 90 90 VAL CB C 125 35.376 35.376 29.724 5.652 18179 3510 1 6 . 1 1 90 90 VAL H H 125 8.303 8.303 8.569 -0.266 18179 3511 1 6 . 1 1 92 92 ARG HA H 127 5.178 5.178 4.665 0.513 18179 3512 1 6 . 1 1 92 92 ARG CA C 127 55.689 55.689 54.512 1.177 18179 3513 1 6 . 1 1 93 93 ILE N N 128 127.696 127.696 123.843 3.853 18179 3514 1 6 . 1 1 93 93 ILE HA H 128 5.088 5.088 4.344 0.744 18179 3515 1 6 . 1 1 93 93 ILE CA C 128 61.063 61.063 61.163 -0.100 18179 3516 1 6 . 1 1 93 93 ILE CB C 128 39.101 39.101 38.085 1.016 18179 3517 1 6 . 1 1 93 93 ILE H H 128 9.099 9.099 8.646 0.453 18179 3518 1 6 . 1 1 94 94 MET N N 129 122.683 122.683 127.942 -5.259 18179 3519 1 6 . 1 1 94 94 MET C C 129 174.006 174.006 174.785 -0.779 18179 3520 1 6 . 1 1 94 94 MET CA C 129 51.503 51.503 54.845 -3.342 18179 3521 1 6 . 1 1 94 94 MET CB C 129 34.764 34.764 34.826 -0.062 18179 3522 1 6 . 1 1 94 94 MET H H 129 8.496 8.496 8.182 0.314 18179 3523 1 6 . 1 1 95 95 PHE N N 130 118.014 118.014 117.925 0.089 18179 3524 1 6 . 1 1 95 95 PHE HA H 130 5.589 5.589 5.434 0.155 18179 3525 1 6 . 1 1 95 95 PHE C C 130 174.811 174.811 173.244 1.567 18179 3526 1 6 . 1 1 95 95 PHE CA C 130 56.432 56.432 56.058 0.374 18179 3527 1 6 . 1 1 95 95 PHE CB C 130 41.941 41.941 42.394 -0.453 18179 3528 1 6 . 1 1 95 95 PHE H H 130 8.573 8.573 7.958 0.615 18179 3529 1 6 . 1 1 96 96 VAL N N 131 122.847 122.847 114.640 8.207 18179 3530 1 6 . 1 1 96 96 VAL HA H 131 4.337 4.337 4.688 -0.351 18179 3531 1 6 . 1 1 96 96 VAL C C 131 174.303 174.303 173.937 0.366 18179 3532 1 6 . 1 1 96 96 VAL CA C 131 61.405 61.405 59.842 1.563 18179 3533 1 6 . 1 1 96 96 VAL CB C 131 34.679 34.679 35.561 -0.882 18179 3534 1 6 . 1 1 96 96 VAL H H 131 9.855 9.855 9.234 0.621 18179 3535 1 6 . 1 1 97 97 ASP N N 132 128.042 128.042 123.749 4.293 18179 3536 1 6 . 1 1 97 97 ASP HA H 132 4.883 4.883 4.918 -0.035 18179 3537 1 6 . 1 1 97 97 ASP C C 132 174.958 174.958 176.680 -1.722 18179 3538 1 6 . 1 1 97 97 ASP CA C 132 53.082 53.082 54.603 -1.521 18179 3539 1 6 . 1 1 97 97 ASP CB C 132 45.484 45.484 41.212 4.272 18179 3540 1 6 . 1 1 97 97 ASP H H 132 8.399 8.399 8.631 -0.232 18179 3541 1 6 . 1 1 98 98 PRO HA H 133 4.566 4.566 4.262 0.304 18179 3542 1 6 . 1 1 98 98 PRO C C 133 175.650 175.650 177.484 -1.834 18179 3543 1 6 . 1 1 98 98 PRO CA C 133 65.207 65.207 64.337 0.870 18179 3544 1 6 . 1 1 98 98 PRO CB C 133 31.858 31.858 31.835 0.023 18179 3545 1 6 . 1 1 99 99 SER N N 134 111.171 111.171 113.531 -2.360 18179 3546 1 6 . 1 1 99 99 SER HA H 134 4.122 4.122 4.275 -0.153 18179 3547 1 6 . 1 1 99 99 SER C C 134 175.303 175.303 174.570 0.733 18179 3548 1 6 . 1 1 99 99 SER CA C 134 60.237 60.237 59.782 0.455 18179 3549 1 6 . 1 1 99 99 SER CB C 134 64.471 64.471 62.458 2.013 18179 3550 1 6 . 1 1 99 99 SER H H 134 8.154 8.154 8.321 -0.167 18179 3551 1 6 . 1 1 100 100 LEU N N 135 118.112 118.112 116.184 1.928 18179 3552 1 6 . 1 1 100 100 LEU HA H 135 3.683 3.683 4.137 -0.454 18179 3553 1 6 . 1 1 100 100 LEU C C 135 175.886 175.886 174.930 0.956 18179 3554 1 6 . 1 1 100 100 LEU CA C 135 56.548 56.548 56.229 0.319 18179 3555 1 6 . 1 1 100 100 LEU CB C 135 36.922 36.922 41.414 -4.492 18179 3556 1 6 . 1 1 100 100 LEU H H 135 9.194 9.194 7.894 1.300 18179 3557 1 6 . 1 1 101 101 THR N N 136 116.048 116.048 112.169 3.879 18179 3558 1 6 . 1 1 101 101 THR HA H 136 4.191 4.191 4.423 -0.232 18179 3559 1 6 . 1 1 101 101 THR C C 136 173.771 173.771 172.898 0.873 18179 3560 1 6 . 1 1 101 101 THR CA C 136 62.123 62.123 60.340 1.783 18179 3561 1 6 . 1 1 101 101 THR CB C 136 70.407 70.407 71.903 -1.496 18179 3562 1 6 . 1 1 101 101 THR H H 136 7.022 7.022 7.203 -0.181 18179 3563 1 6 . 1 1 102 102 VAL N N 137 129.098 129.098 122.467 6.631 18179 3564 1 6 . 1 1 102 102 VAL HA H 137 3.874 3.874 4.289 -0.415 18179 3565 1 6 . 1 1 102 102 VAL C C 137 177.079 177.079 176.622 0.457 18179 3566 1 6 . 1 1 102 102 VAL CA C 137 64.163 64.163 62.610 1.553 18179 3567 1 6 . 1 1 102 102 VAL CB C 137 31.858 31.858 30.637 1.221 18179 3568 1 6 . 1 1 102 102 VAL H H 137 9.039 9.039 8.432 0.607 18179 3569 1 6 . 1 1 103 103 ARG N N 138 128.421 128.421 128.272 0.149 18179 3570 1 6 . 1 1 103 103 ARG HA H 138 4.724 4.724 4.678 0.046 18179 3571 1 6 . 1 1 103 103 ARG C C 138 177.315 177.315 174.260 3.055 18179 3572 1 6 . 1 1 103 103 ARG CA C 138 50.845 50.845 54.911 -4.066 18179 3573 1 6 . 1 1 103 103 ARG CB C 138 25.210 25.210 29.945 -4.735 18179 3574 1 6 . 1 1 103 103 ARG H H 138 9.355 9.355 9.256 0.099 18179 3575 1 6 . 1 1 104 104 ALA N N 139 130.638 130.638 124.217 6.421 18179 3576 1 6 . 1 1 104 104 ALA HA H 139 4.128 4.128 4.544 -0.416 18179 3577 1 6 . 1 1 104 104 ALA C C 139 170.819 170.819 175.389 -4.570 18179 3578 1 6 . 1 1 104 104 ALA CA C 139 53.517 53.517 51.594 1.923 18179 3579 1 6 . 1 1 104 104 ALA CB C 139 18.047 18.047 21.774 -3.727 18179 3580 1 6 . 1 1 104 104 ALA H H 139 8.340 8.340 7.837 0.503 18179 3581 1 6 . 1 1 105 105 ASP N N 140 113.599 113.599 122.507 -8.908 18179 3582 1 6 . 1 1 105 105 ASP HA H 140 4.356 4.356 4.737 -0.381 18179 3583 1 6 . 1 1 105 105 ASP C C 140 175.173 175.173 175.387 -0.214 18179 3584 1 6 . 1 1 105 105 ASP CA C 140 54.097 54.097 54.214 -0.117 18179 3585 1 6 . 1 1 105 105 ASP CB C 140 39.219 39.219 40.686 -1.467 18179 3586 1 6 . 1 1 105 105 ASP H H 140 9.653 9.653 8.496 1.157 18179 3587 1 6 . 1 1 106 106 ILE N N 141 122.867 122.867 123.490 -0.623 18179 3588 1 6 . 1 1 106 106 ILE HA H 141 4.332 4.332 4.285 0.047 18179 3589 1 6 . 1 1 106 106 ILE C C 141 174.778 174.778 176.643 -1.865 18179 3590 1 6 . 1 1 106 106 ILE CA C 141 62.464 62.464 60.298 2.166 18179 3591 1 6 . 1 1 106 106 ILE CB C 141 36.210 36.210 37.437 -1.227 18179 3592 1 6 . 1 1 106 106 ILE H H 141 7.541 7.541 8.093 -0.552 18179 3593 1 6 . 1 1 107 107 THR N N 142 117.525 117.525 120.788 -3.263 18179 3594 1 6 . 1 1 107 107 THR HA H 142 4.721 4.721 4.621 0.100 18179 3595 1 6 . 1 1 107 107 THR C C 142 175.898 175.898 174.538 1.360 18179 3596 1 6 . 1 1 107 107 THR CA C 142 59.199 59.199 61.343 -2.144 18179 3597 1 6 . 1 1 107 107 THR CB C 142 71.817 71.817 70.125 1.692 18179 3598 1 6 . 1 1 107 107 THR H H 142 7.816 7.816 8.721 -0.905 18179 3599 1 6 . 1 1 108 108 GLY N N 143 109.853 109.853 110.184 -0.331 18179 3600 1 6 . 1 1 108 108 GLY C C 143 174.389 174.389 174.300 0.089 18179 3601 1 6 . 1 1 108 108 GLY CA C 143 44.291 44.291 44.822 -0.531 18179 3602 1 6 . 1 1 108 108 GLY H H 143 8.891 8.891 8.425 0.466 18179 3603 1 6 . 1 1 109 109 ARG N N 144 116.076 116.076 119.925 -3.849 18179 3604 1 6 . 1 1 109 109 ARG HA H 144 4.006 4.006 4.279 -0.273 18179 3605 1 6 . 1 1 109 109 ARG C C 144 176.521 176.521 175.486 1.035 18179 3606 1 6 . 1 1 109 109 ARG CA C 144 55.989 55.989 56.632 -0.643 18179 3607 1 6 . 1 1 109 109 ARG CB C 144 30.851 30.851 30.718 0.133 18179 3608 1 6 . 1 1 109 109 ARG H H 144 8.108 8.108 8.250 -0.142 18179 3609 1 6 . 1 1 110 110 TYR N N 145 123.010 123.010 120.339 2.671 18179 3610 1 6 . 1 1 110 110 TYR HA H 145 4.506 4.506 4.428 0.078 18179 3611 1 6 . 1 1 110 110 TYR C C 145 178.395 178.395 175.386 3.009 18179 3612 1 6 . 1 1 110 110 TYR CA C 145 57.217 57.217 58.291 -1.074 18179 3613 1 6 . 1 1 110 110 TYR CB C 145 37.232 37.232 38.235 -1.003 18179 3614 1 6 . 1 1 110 110 TYR H H 145 8.825 8.825 8.118 0.707 18179 3615 1 6 . 1 1 111 111 SER N N 146 120.152 120.152 121.654 -1.502 18179 3616 1 6 . 1 1 111 111 SER HA H 146 3.948 3.948 4.170 -0.222 18179 3617 1 6 . 1 1 111 111 SER C C 146 174.939 174.939 175.387 -0.448 18179 3618 1 6 . 1 1 111 111 SER CA C 146 60.850 60.850 60.186 0.664 18179 3619 1 6 . 1 1 111 111 SER CB C 146 62.776 62.776 63.370 -0.594 18179 3620 1 6 . 1 1 111 111 SER H H 146 8.616 8.616 8.419 0.197 18179 3621 1 6 . 1 1 112 112 ASN N N 147 116.146 116.146 118.766 -2.620 18179 3622 1 6 . 1 1 112 112 ASN HA H 147 4.558 4.558 4.402 0.156 18179 3623 1 6 . 1 1 112 112 ASN C C 147 173.693 173.693 175.137 -1.444 18179 3624 1 6 . 1 1 112 112 ASN CA C 147 53.209 53.209 54.693 -1.484 18179 3625 1 6 . 1 1 112 112 ASN CB C 147 37.534 37.534 38.636 -1.102 18179 3626 1 6 . 1 1 112 112 ASN H H 147 8.374 8.374 7.731 0.643 18179 3627 1 6 . 1 1 113 113 ARG N N 148 121.673 121.673 116.312 5.361 18179 3628 1 6 . 1 1 113 113 ARG HA H 148 4.226 4.226 4.161 0.065 18179 3629 1 6 . 1 1 113 113 ARG C C 148 176.358 176.358 174.239 2.119 18179 3630 1 6 . 1 1 113 113 ARG CA C 148 55.251 55.251 55.470 -0.219 18179 3631 1 6 . 1 1 113 113 ARG CB C 148 30.973 30.973 32.604 -1.631 18179 3632 1 6 . 1 1 113 113 ARG H H 148 6.782 6.782 8.112 -1.330 18179 3633 1 6 . 1 1 114 114 LEU N N 149 125.966 125.966 120.849 5.117 18179 3634 1 6 . 1 1 114 114 LEU HA H 149 3.776 3.776 4.560 -0.784 18179 3635 1 6 . 1 1 114 114 LEU C C 149 175.787 175.787 175.686 0.101 18179 3636 1 6 . 1 1 114 114 LEU CA C 149 57.640 57.640 54.334 3.306 18179 3637 1 6 . 1 1 114 114 LEU CB C 149 43.153 43.153 42.258 0.895 18179 3638 1 6 . 1 1 114 114 LEU H H 149 9.976 9.976 8.026 1.950 18179 3639 1 6 . 1 1 115 115 TYR N N 150 115.137 115.137 115.820 -0.683 18179 3640 1 6 . 1 1 115 115 TYR HA H 150 4.947 4.947 4.806 0.141 18179 3641 1 6 . 1 1 115 115 TYR C C 150 174.449 174.449 173.999 0.450 18179 3642 1 6 . 1 1 115 115 TYR CA C 150 55.986 55.986 55.572 0.414 18179 3643 1 6 . 1 1 115 115 TYR CB C 150 38.660 38.660 38.056 0.604 18179 3644 1 6 . 1 1 115 115 TYR H H 150 8.272 8.272 7.114 1.158 18179 3645 1 6 . 1 1 116 116 ALA N N 151 121.349 121.349 128.736 -7.387 18179 3646 1 6 . 1 1 116 116 ALA HA H 151 5.086 5.086 4.848 0.238 18179 3647 1 6 . 1 1 116 116 ALA C C 151 177.541 177.541 176.063 1.478 18179 3648 1 6 . 1 1 116 116 ALA CA C 151 51.614 51.614 51.502 0.112 18179 3649 1 6 . 1 1 116 116 ALA CB C 151 21.262 21.262 20.370 0.892 18179 3650 1 6 . 1 1 116 116 ALA H H 151 7.515 7.515 8.704 -1.189 18179 3651 1 6 . 1 1 117 117 TYR N N 152 115.287 115.287 118.432 -3.145 18179 3652 1 6 . 1 1 117 117 TYR HA H 152 4.693 4.693 4.909 -0.216 18179 3653 1 6 . 1 1 117 117 TYR C C 152 173.749 173.749 174.566 -0.817 18179 3654 1 6 . 1 1 117 117 TYR CA C 152 58.142 58.142 56.608 1.534 18179 3655 1 6 . 1 1 117 117 TYR CB C 152 42.827 42.827 38.627 4.200 18179 3656 1 6 . 1 1 117 117 TYR H H 152 6.916 6.916 8.768 -1.852 18179 3657 1 6 . 1 1 118 118 GLU N N 153 122.624 122.624 121.972 0.652 18179 3658 1 6 . 1 1 118 118 GLU HA H 153 4.951 4.951 4.549 0.402 18179 3659 1 6 . 1 1 118 118 GLU C C 153 175.895 175.895 175.059 0.836 18179 3660 1 6 . 1 1 118 118 GLU CA C 153 54.029 54.029 52.431 1.598 18179 3661 1 6 . 1 1 118 118 GLU CB C 153 29.513 29.513 30.677 -1.164 18179 3662 1 6 . 1 1 118 118 GLU H H 153 9.508 9.508 7.581 1.927 18179 3663 1 6 . 1 1 119 119 PRO HA H 154 4.119 4.119 4.189 -0.070 18179 3664 1 6 . 1 1 119 119 PRO C C 154 176.457 176.457 176.862 -0.405 18179 3665 1 6 . 1 1 119 119 PRO CA C 154 66.240 66.240 64.976 1.264 18179 3666 1 6 . 1 1 119 119 PRO CB C 154 31.682 31.682 31.858 -0.176 18179 3667 1 6 . 1 1 120 120 ALA N N 155 114.721 114.721 117.392 -2.671 18179 3668 1 6 . 1 1 120 120 ALA HA H 155 4.372 4.372 4.125 0.247 18179 3669 1 6 . 1 1 120 120 ALA C C 155 178.528 178.528 178.342 0.186 18179 3670 1 6 . 1 1 120 120 ALA CA C 155 53.148 53.148 53.606 -0.458 18179 3671 1 6 . 1 1 120 120 ALA CB C 155 18.782 18.782 18.617 0.165 18179 3672 1 6 . 1 1 120 120 ALA H H 155 7.697 7.697 8.055 -0.358 18179 3673 1 6 . 1 1 121 121 ASP N N 156 117.502 117.502 117.806 -0.304 18179 3674 1 6 . 1 1 121 121 ASP HA H 156 5.154 5.154 4.851 0.303 18179 3675 1 6 . 1 1 121 121 ASP C C 156 176.756 176.756 176.963 -0.207 18179 3676 1 6 . 1 1 121 121 ASP CA C 156 54.742 54.742 53.196 1.546 18179 3677 1 6 . 1 1 121 121 ASP CB C 156 42.326 42.326 40.634 1.692 18179 3678 1 6 . 1 1 121 121 ASP H H 156 8.493 8.493 7.827 0.666 18179 3679 1 6 . 1 1 122 122 THR N N 157 111.372 111.372 114.297 -2.925 18179 3680 1 6 . 1 1 122 122 THR HA H 157 3.738 3.738 3.774 -0.036 18179 3681 1 6 . 1 1 122 122 THR C C 157 176.023 176.023 175.935 0.088 18179 3682 1 6 . 1 1 122 122 THR CA C 157 66.673 66.673 66.381 0.292 18179 3683 1 6 . 1 1 122 122 THR CB C 157 67.967 67.967 68.483 -0.516 18179 3684 1 6 . 1 1 122 122 THR H H 157 7.428 7.428 7.540 -0.112 18179 3685 1 6 . 1 1 123 123 ALA N N 158 123.853 123.853 122.705 1.148 18179 3686 1 6 . 1 1 123 123 ALA HA H 158 4.133 4.133 4.028 0.105 18179 3687 1 6 . 1 1 123 123 ALA C C 158 179.987 179.987 179.304 0.683 18179 3688 1 6 . 1 1 123 123 ALA CA C 158 55.545 55.545 54.415 1.130 18179 3689 1 6 . 1 1 123 123 ALA CB C 158 17.458 17.458 18.022 -0.564 18179 3690 1 6 . 1 1 123 123 ALA H H 158 8.663 8.663 8.370 0.293 18179 3691 1 6 . 1 1 124 124 LEU N N 159 121.199 121.199 119.666 1.533 18179 3692 1 6 . 1 1 124 124 LEU HA H 159 4.229 4.229 3.978 0.251 18179 3693 1 6 . 1 1 124 124 LEU C C 159 178.342 178.342 178.175 0.167 18179 3694 1 6 . 1 1 124 124 LEU CA C 159 57.329 57.329 57.026 0.303 18179 3695 1 6 . 1 1 124 124 LEU CB C 159 41.956 41.956 41.599 0.357 18179 3696 1 6 . 1 1 124 124 LEU H H 159 7.444 7.444 7.506 -0.062 18179 3697 1 6 . 1 1 125 125 LEU N N 160 119.836 119.836 121.517 -1.681 18179 3698 1 6 . 1 1 125 125 LEU HA H 160 3.963 3.963 3.993 -0.030 18179 3699 1 6 . 1 1 125 125 LEU C C 160 178.168 178.168 178.428 -0.260 18179 3700 1 6 . 1 1 125 125 LEU CA C 160 58.475 58.475 58.135 0.340 18179 3701 1 6 . 1 1 125 125 LEU CB C 160 40.915 40.915 41.473 -0.558 18179 3702 1 6 . 1 1 125 125 LEU H H 160 8.430 8.430 8.167 0.263 18179 3703 1 6 . 1 1 126 126 LEU N N 161 120.046 120.046 119.248 0.798 18179 3704 1 6 . 1 1 126 126 LEU HA H 161 4.000 4.000 3.921 0.079 18179 3705 1 6 . 1 1 126 126 LEU C C 161 178.848 178.848 177.541 1.307 18179 3706 1 6 . 1 1 126 126 LEU CA C 161 58.524 58.524 58.302 0.222 18179 3707 1 6 . 1 1 126 126 LEU CB C 161 42.005 42.005 41.432 0.573 18179 3708 1 6 . 1 1 126 126 LEU H H 161 8.127 8.127 8.525 -0.398 18179 3709 1 6 . 1 1 127 127 ASP N N 162 119.057 119.057 119.283 -0.226 18179 3710 1 6 . 1 1 127 127 ASP HA H 162 4.267 4.267 4.091 0.176 18179 3711 1 6 . 1 1 127 127 ASP C C 162 179.299 179.299 178.517 0.782 18179 3712 1 6 . 1 1 127 127 ASP CA C 162 57.699 57.699 57.732 -0.033 18179 3713 1 6 . 1 1 127 127 ASP CB C 162 40.564 40.564 40.465 0.099 18179 3714 1 6 . 1 1 127 127 ASP H H 162 7.872 7.872 7.745 0.127 18179 3715 1 6 . 1 1 128 128 ASN N N 163 122.268 122.268 117.401 4.867 18179 3716 1 6 . 1 1 128 128 ASN HA H 163 4.423 4.423 4.412 0.011 18179 3717 1 6 . 1 1 128 128 ASN C C 163 177.256 177.256 177.598 -0.342 18179 3718 1 6 . 1 1 128 128 ASN CA C 163 54.502 54.502 55.194 -0.692 18179 3719 1 6 . 1 1 128 128 ASN CB C 163 36.821 36.821 38.350 -1.530 18179 3720 1 6 . 1 1 128 128 ASN H H 163 8.711 8.711 8.072 0.639 18179 3721 1 6 . 1 1 129 129 MET N N 164 122.448 122.448 119.927 2.521 18179 3722 1 6 . 1 1 129 129 MET HA H 164 3.583 3.583 3.584 -0.001 18179 3723 1 6 . 1 1 129 129 MET C C 164 178.272 178.272 178.026 0.246 18179 3724 1 6 . 1 1 129 129 MET CA C 164 59.617 59.617 59.160 0.457 18179 3725 1 6 . 1 1 129 129 MET CB C 164 34.481 34.481 32.590 1.891 18179 3726 1 6 . 1 1 129 129 MET H H 164 8.704 8.704 7.532 1.172 18179 3727 1 6 . 1 1 130 130 LYS N N 165 117.243 117.243 119.735 -2.492 18179 3728 1 6 . 1 1 130 130 LYS HA H 165 3.869 3.869 3.922 -0.053 18179 3729 1 6 . 1 1 130 130 LYS C C 165 180.050 180.050 177.575 2.475 18179 3730 1 6 . 1 1 130 130 LYS CA C 165 60.517 60.517 59.203 1.314 18179 3731 1 6 . 1 1 130 130 LYS CB C 165 31.836 31.836 32.345 -0.509 18179 3732 1 6 . 1 1 130 130 LYS H H 165 7.767 7.767 8.315 -0.548 18179 3733 1 6 . 1 1 131 131 LYS N N 166 120.486 120.486 116.223 4.263 18179 3734 1 6 . 1 1 131 131 LYS HA H 166 3.853 3.853 4.063 -0.210 18179 3735 1 6 . 1 1 131 131 LYS C C 166 179.232 179.232 178.018 1.214 18179 3736 1 6 . 1 1 131 131 LYS CA C 166 60.171 60.171 57.924 2.247 18179 3737 1 6 . 1 1 131 131 LYS CB C 166 32.783 32.783 32.083 0.700 18179 3738 1 6 . 1 1 131 131 LYS H H 166 7.914 7.914 7.394 0.520 18179 3739 1 6 . 1 1 132 132 ALA N N 167 122.426 122.426 120.096 2.330 18179 3740 1 6 . 1 1 132 132 ALA HA H 167 3.625 3.625 4.476 -0.851 18179 3741 1 6 . 1 1 132 132 ALA C C 167 177.616 177.616 179.384 -1.768 18179 3742 1 6 . 1 1 132 132 ALA CA C 167 54.246 54.246 54.120 0.126 18179 3743 1 6 . 1 1 132 132 ALA CB C 167 18.261 18.261 18.952 -0.691 18179 3744 1 6 . 1 1 132 132 ALA H H 167 7.801 7.801 7.192 0.609 18179 3745 1 6 . 1 1 133 133 LEU N N 168 113.735 113.735 117.737 -4.002 18179 3746 1 6 . 1 1 133 133 LEU HA H 168 3.747 3.747 4.411 -0.664 18179 3747 1 6 . 1 1 133 133 LEU C C 168 177.322 177.322 177.479 -0.157 18179 3748 1 6 . 1 1 133 133 LEU CA C 168 55.892 55.892 55.014 0.878 18179 3749 1 6 . 1 1 133 133 LEU CB C 168 42.159 42.159 41.538 0.621 18179 3750 1 6 . 1 1 133 133 LEU H H 168 7.010 7.010 7.838 -0.828 18179 3751 1 6 . 1 1 134 134 LYS N N 169 123.034 123.034 120.667 2.367 18179 3752 1 6 . 1 1 134 134 LYS HA H 169 4.331 4.331 4.172 0.159 18179 3753 1 6 . 1 1 134 134 LYS C C 169 174.307 174.307 176.668 -2.361 18179 3754 1 6 . 1 1 134 134 LYS CA C 169 55.382 55.382 58.011 -2.629 18179 3755 1 6 . 1 1 134 134 LYS CB C 169 29.718 29.718 32.788 -3.070 18179 3756 1 6 . 1 1 134 134 LYS H H 169 7.202 7.202 7.540 -0.338 18179 3757 1 6 . 1 1 135 135 LEU N N 170 120.490 120.490 120.145 0.345 18179 3758 1 6 . 1 1 135 135 LEU HA H 170 3.980 3.980 4.490 -0.510 18179 3759 1 6 . 1 1 135 135 LEU C C 170 178.427 178.427 175.414 3.013 18179 3760 1 6 . 1 1 135 135 LEU CA C 170 54.884 54.884 54.551 0.333 18179 3761 1 6 . 1 1 135 135 LEU CB C 170 40.903 40.903 42.963 -2.060 18179 3762 1 6 . 1 1 135 135 LEU H H 170 7.334 7.334 7.927 -0.593 18179 3763 1 6 . 1 1 136 136 LEU N N 171 120.084 120.084 126.371 -6.287 18179 3764 1 6 . 1 1 136 136 LEU HA H 171 4.040 4.040 4.524 -0.484 18179 3765 1 6 . 1 1 136 136 LEU C C 171 178.231 178.231 175.224 3.007 18179 3766 1 6 . 1 1 136 136 LEU CA C 171 55.750 55.750 54.627 1.123 18179 3767 1 6 . 1 1 136 136 LEU CB C 171 41.734 41.734 44.379 -2.645 18179 3768 1 6 . 1 1 136 136 LEU H H 171 8.614 8.614 8.400 0.214 18179 3769 1 6 . 1 1 137 137 LYS N N 172 121.059 121.059 125.382 -4.323 18179 3770 1 6 . 1 1 137 137 LYS HA H 172 4.333 4.333 4.685 -0.352 18179 3771 1 6 . 1 1 137 137 LYS C C 172 174.388 174.388 176.048 -1.660 18179 3772 1 6 . 1 1 137 137 LYS CA C 172 55.903 55.903 55.250 0.653 18179 3773 1 6 . 1 1 137 137 LYS CB C 172 32.681 32.681 34.656 -1.975 18179 3774 1 6 . 1 1 137 137 LYS H H 172 8.468 8.468 8.491 -0.023 18179 3775 1 6 . 1 1 138 138 THR N N 173 116.267 116.267 111.951 4.316 18179 3776 1 6 . 1 1 138 138 THR HA H 173 4.261 4.261 4.597 -0.336 18179 3777 1 6 . 1 1 138 138 THR C C 173 174.267 174.267 174.283 -0.016 18179 3778 1 6 . 1 1 138 138 THR CA C 173 61.867 61.867 61.976 -0.109 18179 3779 1 6 . 1 1 138 138 THR CB C 173 69.848 69.848 69.189 0.659 18179 3780 1 6 . 1 1 138 138 THR H H 173 8.095 8.095 8.461 -0.366 18179 3781 1 6 . 1 1 139 139 GLU N N 174 123.648 123.648 120.702 2.946 18179 3782 1 6 . 1 1 139 139 GLU HA H 174 4.288 4.288 4.496 -0.208 18179 3783 1 6 . 1 1 139 139 GLU C C 174 175.178 175.178 174.902 0.276 18179 3784 1 6 . 1 1 139 139 GLU CA C 174 56.205 56.205 55.194 1.011 18179 3785 1 6 . 1 1 139 139 GLU CB C 174 30.353 30.353 31.293 -0.940 18179 3786 1 6 . 1 1 139 139 GLU H H 174 8.293 8.293 7.800 0.493 18179 3787 1 7 . 1 1 17 17 LEU N N 52 120.529 120.529 118.296 2.233 18179 3788 1 7 . 1 1 17 17 LEU HA H 52 4.317 4.317 3.913 0.404 18179 3789 1 7 . 1 1 17 17 LEU CA C 52 53.456 53.456 54.440 -0.984 18179 3790 1 7 . 1 1 17 17 LEU CB C 52 42.494 42.494 41.336 1.158 18179 3791 1 7 . 1 1 17 17 LEU H H 52 7.103 7.103 7.740 -0.637 18179 3792 1 7 . 1 1 18 18 ILE CB C 53 36.458 36.458 38.662 -2.204 18179 3793 1 7 . 1 1 23 23 TYR HA H 58 4.359 4.359 4.158 0.201 18179 3794 1 7 . 1 1 23 23 TYR C C 58 176.387 176.387 177.308 -0.921 18179 3795 1 7 . 1 1 23 23 TYR CA C 58 59.597 59.597 61.417 -1.820 18179 3796 1 7 . 1 1 23 23 TYR CB C 58 38.572 38.572 38.403 0.169 18179 3797 1 7 . 1 1 24 24 GLU N N 59 117.335 117.335 118.491 -1.156 18179 3798 1 7 . 1 1 24 24 GLU CA C 59 60.871 60.871 59.365 1.506 18179 3799 1 7 . 1 1 24 24 GLU CB C 59 28.494 28.494 29.184 -0.690 18179 3800 1 7 . 1 1 24 24 GLU H H 59 9.191 9.191 8.904 0.287 18179 3801 1 7 . 1 1 25 25 ALA N N 60 120.861 120.861 120.653 0.208 18179 3802 1 7 . 1 1 25 25 ALA CA C 60 54.555 54.555 54.638 -0.083 18179 3803 1 7 . 1 1 25 25 ALA CB C 60 18.528 18.528 18.139 0.389 18179 3804 1 7 . 1 1 25 25 ALA H H 60 7.688 7.688 7.591 0.097 18179 3805 1 7 . 1 1 26 26 ALA N N 61 123.402 123.402 122.209 1.193 18179 3806 1 7 . 1 1 26 26 ALA HA H 61 3.900 3.900 4.016 -0.116 18179 3807 1 7 . 1 1 26 26 ALA CA C 61 55.346 55.346 54.798 0.548 18179 3808 1 7 . 1 1 26 26 ALA CB C 61 19.104 19.104 18.348 0.756 18179 3809 1 7 . 1 1 26 26 ALA H H 61 8.225 8.225 7.407 0.818 18179 3810 1 7 . 1 1 27 27 LEU N N 62 118.742 118.742 118.218 0.524 18179 3811 1 7 . 1 1 27 27 LEU HA H 62 3.700 3.700 4.210 -0.510 18179 3812 1 7 . 1 1 27 27 LEU C C 62 171.911 171.911 179.726 -7.815 18179 3813 1 7 . 1 1 27 27 LEU CA C 62 57.654 57.654 56.951 0.703 18179 3814 1 7 . 1 1 27 27 LEU CB C 62 41.905 41.905 41.536 0.369 18179 3815 1 7 . 1 1 27 27 LEU H H 62 8.336 8.336 7.451 0.885 18179 3816 1 7 . 1 1 28 28 TYR N N 63 117.594 117.594 120.575 -2.981 18179 3817 1 7 . 1 1 28 28 TYR HA H 63 4.007 4.007 4.046 -0.039 18179 3818 1 7 . 1 1 28 28 TYR C C 63 179.075 179.075 177.321 1.754 18179 3819 1 7 . 1 1 28 28 TYR CA C 63 61.769 61.769 61.887 -0.118 18179 3820 1 7 . 1 1 28 28 TYR CB C 63 38.071 38.071 38.398 -0.327 18179 3821 1 7 . 1 1 28 28 TYR H H 63 7.279 7.279 7.843 -0.564 18179 3822 1 7 . 1 1 29 29 LYS N N 64 121.077 121.077 119.830 1.247 18179 3823 1 7 . 1 1 29 29 LYS HA H 64 3.663 3.663 3.945 -0.282 18179 3824 1 7 . 1 1 29 29 LYS C C 64 176.394 176.394 178.824 -2.430 18179 3825 1 7 . 1 1 29 29 LYS CA C 64 59.230 59.230 58.315 0.916 18179 3826 1 7 . 1 1 29 29 LYS CB C 64 32.573 32.573 32.332 0.241 18179 3827 1 7 . 1 1 29 29 LYS H H 64 8.472 8.472 7.849 0.623 18179 3828 1 7 . 1 1 30 30 SER N N 65 117.933 117.933 116.139 1.794 18179 3829 1 7 . 1 1 30 30 SER HA H 65 4.160 4.160 4.094 0.066 18179 3830 1 7 . 1 1 30 30 SER C C 65 176.518 176.518 176.629 -0.111 18179 3831 1 7 . 1 1 30 30 SER CA C 65 61.706 61.706 62.008 -0.302 18179 3832 1 7 . 1 1 30 30 SER CB C 65 64.022 64.022 62.951 1.071 18179 3833 1 7 . 1 1 30 30 SER H H 65 8.500 8.500 8.525 -0.025 18179 3834 1 7 . 1 1 31 31 LYS N N 66 117.248 117.248 122.177 -4.929 18179 3835 1 7 . 1 1 31 31 LYS HA H 66 4.301 4.301 4.129 0.172 18179 3836 1 7 . 1 1 31 31 LYS C C 66 179.721 179.721 179.223 0.498 18179 3837 1 7 . 1 1 31 31 LYS CA C 66 59.165 59.165 58.972 0.193 18179 3838 1 7 . 1 1 31 31 LYS CB C 66 32.372 32.372 32.293 0.079 18179 3839 1 7 . 1 1 31 31 LYS H H 66 8.020 8.020 7.655 0.365 18179 3840 1 7 . 1 1 32 32 THR N N 67 109.772 109.772 111.311 -1.539 18179 3841 1 7 . 1 1 32 32 THR HA H 67 3.883 3.883 4.256 -0.373 18179 3842 1 7 . 1 1 32 32 THR C C 67 176.237 176.237 175.428 0.809 18179 3843 1 7 . 1 1 32 32 THR CA C 67 64.813 64.813 64.043 0.770 18179 3844 1 7 . 1 1 32 32 THR CB C 67 69.445 69.445 68.759 0.686 18179 3845 1 7 . 1 1 32 32 THR H H 67 7.844 7.844 7.670 0.174 18179 3846 1 7 . 1 1 33 33 SER N N 68 115.610 115.610 115.843 -0.233 18179 3847 1 7 . 1 1 33 33 SER HA H 68 4.369 4.369 4.472 -0.103 18179 3848 1 7 . 1 1 33 33 SER C C 68 174.628 174.628 174.041 0.587 18179 3849 1 7 . 1 1 33 33 SER CA C 68 59.242 59.242 58.531 0.711 18179 3850 1 7 . 1 1 33 33 SER CB C 68 65.166 65.166 64.010 1.156 18179 3851 1 7 . 1 1 33 33 SER H H 68 8.047 8.047 7.558 0.489 18179 3852 1 7 . 1 1 34 34 ASN N N 69 110.215 110.215 115.463 -5.248 18179 3853 1 7 . 1 1 34 34 ASN HA H 69 4.181 4.181 4.300 -0.119 18179 3854 1 7 . 1 1 34 34 ASN C C 69 173.253 173.253 173.970 -0.717 18179 3855 1 7 . 1 1 34 34 ASN CA C 69 54.302 54.302 54.779 -0.477 18179 3856 1 7 . 1 1 34 34 ASN CB C 69 38.506 38.506 36.677 1.829 18179 3857 1 7 . 1 1 34 34 ASN H H 69 8.061 8.061 8.139 -0.078 18179 3858 1 7 . 1 1 35 35 LYS N N 70 117.312 117.312 118.768 -1.456 18179 3859 1 7 . 1 1 35 35 LYS HA H 70 4.676 4.676 4.719 -0.043 18179 3860 1 7 . 1 1 35 35 LYS CA C 70 53.385 53.385 53.614 -0.229 18179 3861 1 7 . 1 1 35 35 LYS CB C 70 34.049 34.049 34.086 -0.037 18179 3862 1 7 . 1 1 35 35 LYS H H 70 7.589 7.589 7.396 0.193 18179 3863 1 7 . 1 1 36 36 PRO HA H 71 4.371 4.371 4.137 0.234 18179 3864 1 7 . 1 1 36 36 PRO C C 71 172.189 172.189 174.761 -2.572 18179 3865 1 7 . 1 1 36 36 PRO CA C 71 62.356 62.356 62.946 -0.590 18179 3866 1 7 . 1 1 36 36 PRO CB C 71 31.785 31.785 31.914 -0.129 18179 3867 1 7 . 1 1 37 37 LEU N N 72 122.894 122.894 115.665 7.229 18179 3868 1 7 . 1 1 37 37 LEU HA H 72 5.392 5.392 4.731 0.661 18179 3869 1 7 . 1 1 37 37 LEU C C 72 174.422 174.422 174.941 -0.519 18179 3870 1 7 . 1 1 37 37 LEU CA C 72 52.656 52.656 53.287 -0.631 18179 3871 1 7 . 1 1 37 37 LEU CB C 72 45.220 45.220 44.666 0.554 18179 3872 1 7 . 1 1 37 37 LEU H H 72 8.936 8.936 7.633 1.303 18179 3873 1 7 . 1 1 38 38 MET N N 73 128.922 128.922 120.509 8.413 18179 3874 1 7 . 1 1 38 38 MET C C 73 172.488 172.488 176.225 -3.737 18179 3875 1 7 . 1 1 38 38 MET CA C 73 54.806 54.806 54.654 0.152 18179 3876 1 7 . 1 1 38 38 MET CB C 73 35.127 35.127 33.999 1.128 18179 3877 1 7 . 1 1 38 38 MET H H 73 8.965 8.965 8.524 0.441 18179 3878 1 7 . 1 1 39 39 ILE N N 74 124.016 124.016 121.276 2.740 18179 3879 1 7 . 1 1 39 39 ILE HA H 74 4.819 4.819 4.560 0.259 18179 3880 1 7 . 1 1 39 39 ILE C C 74 175.018 175.018 174.477 0.541 18179 3881 1 7 . 1 1 39 39 ILE CA C 74 59.688 59.688 60.843 -1.155 18179 3882 1 7 . 1 1 39 39 ILE CB C 74 40.407 40.407 37.960 2.447 18179 3883 1 7 . 1 1 39 39 ILE H H 74 8.727 8.727 8.865 -0.138 18179 3884 1 7 . 1 1 40 40 ILE N N 75 126.837 126.837 127.740 -0.903 18179 3885 1 7 . 1 1 40 40 ILE HA H 75 4.038 4.038 5.273 -1.235 18179 3886 1 7 . 1 1 40 40 ILE C C 75 175.282 175.282 175.045 0.237 18179 3887 1 7 . 1 1 40 40 ILE CA C 75 60.408 60.408 59.461 0.947 18179 3888 1 7 . 1 1 40 40 ILE CB C 75 40.028 40.028 40.752 -0.723 18179 3889 1 7 . 1 1 40 40 ILE H H 75 8.587 8.587 7.951 0.636 18179 3890 1 7 . 1 1 41 41 HIS N N 76 128.633 128.633 122.741 5.892 18179 3891 1 7 . 1 1 41 41 HIS CA C 76 56.453 56.453 54.159 2.294 18179 3892 1 7 . 1 1 41 41 HIS CB C 76 29.368 29.368 34.701 -5.333 18179 3893 1 7 . 1 1 41 41 HIS H H 76 9.145 9.145 8.102 1.043 18179 3894 1 7 . 1 1 42 42 HIS HA H 77 4.822 4.822 4.841 -0.019 18179 3895 1 7 . 1 1 42 42 HIS C C 77 170.942 170.942 173.530 -2.588 18179 3896 1 7 . 1 1 42 42 HIS CA C 77 54.441 54.441 55.647 -1.206 18179 3897 1 7 . 1 1 42 42 HIS CB C 77 34.768 34.768 32.626 2.142 18179 3898 1 7 . 1 1 43 43 LEU N N 78 114.526 114.526 119.207 -4.681 18179 3899 1 7 . 1 1 43 43 LEU HA H 78 4.540 4.540 4.665 -0.125 18179 3900 1 7 . 1 1 43 43 LEU C C 78 177.855 177.855 175.346 2.509 18179 3901 1 7 . 1 1 43 43 LEU CA C 78 54.020 54.020 54.393 -0.373 18179 3902 1 7 . 1 1 43 43 LEU CB C 78 46.643 46.643 45.597 1.046 18179 3903 1 7 . 1 1 43 43 LEU H H 78 7.077 7.077 8.825 -1.748 18179 3904 1 7 . 1 1 44 44 ASP N N 79 123.675 123.675 123.968 -0.293 18179 3905 1 7 . 1 1 44 44 ASP HA H 79 4.452 4.452 4.720 -0.268 18179 3906 1 7 . 1 1 44 44 ASP C C 79 177.872 177.872 177.016 0.856 18179 3907 1 7 . 1 1 44 44 ASP CA C 79 57.458 57.458 55.768 1.690 18179 3908 1 7 . 1 1 44 44 ASP CB C 79 40.739 40.739 41.337 -0.598 18179 3909 1 7 . 1 1 44 44 ASP H H 79 8.783 8.783 8.956 -0.173 18179 3910 1 7 . 1 1 45 45 GLU N N 80 115.578 115.578 119.994 -4.416 18179 3911 1 7 . 1 1 45 45 GLU HA H 80 4.156 4.156 4.367 -0.211 18179 3912 1 7 . 1 1 45 45 GLU C C 80 175.108 175.108 175.178 -0.070 18179 3913 1 7 . 1 1 45 45 GLU CA C 80 56.661 56.661 57.348 -0.687 18179 3914 1 7 . 1 1 45 45 GLU CB C 80 28.604 28.604 28.282 0.322 18179 3915 1 7 . 1 1 45 45 GLU H H 80 9.146 9.146 8.586 0.560 18179 3916 1 7 . 1 1 46 46 CYS N N 81 125.642 125.642 116.969 8.673 18179 3917 1 7 . 1 1 46 46 CYS HA H 81 4.814 4.814 4.696 0.118 18179 3918 1 7 . 1 1 46 46 CYS C C 81 175.453 175.453 172.465 2.988 18179 3919 1 7 . 1 1 46 46 CYS CA C 81 56.298 56.298 55.755 0.543 18179 3920 1 7 . 1 1 46 46 CYS CB C 81 30.378 30.378 29.967 0.411 18179 3921 1 7 . 1 1 46 46 CYS H H 81 7.146 7.146 7.298 -0.152 18179 3922 1 7 . 1 1 47 47 PRO HA H 82 4.311 4.311 4.201 0.110 18179 3923 1 7 . 1 1 47 47 PRO CA C 82 64.536 64.536 63.839 0.697 18179 3924 1 7 . 1 1 47 47 PRO CB C 82 32.069 32.069 31.718 0.351 18179 3925 1 7 . 1 1 48 48 HIS N N 83 124.416 124.416 122.676 1.740 18179 3926 1 7 . 1 1 48 48 HIS HA H 83 4.511 4.511 4.414 0.097 18179 3927 1 7 . 1 1 48 48 HIS C C 83 178.820 178.820 177.118 1.702 18179 3928 1 7 . 1 1 48 48 HIS CA C 83 59.042 59.042 56.712 2.330 18179 3929 1 7 . 1 1 48 48 HIS CB C 83 28.921 28.921 30.207 -1.286 18179 3930 1 7 . 1 1 48 48 HIS H H 83 8.936 8.936 8.423 0.513 18179 3931 1 7 . 1 1 49 49 SER N N 84 129.973 129.973 118.549 11.424 18179 3932 1 7 . 1 1 49 49 SER HA H 84 4.152 4.152 4.094 0.058 18179 3933 1 7 . 1 1 49 49 SER C C 84 175.397 175.397 175.541 -0.144 18179 3934 1 7 . 1 1 49 49 SER CA C 84 63.873 63.873 61.734 2.139 18179 3935 1 7 . 1 1 49 49 SER CB C 84 65.516 65.516 62.518 2.998 18179 3936 1 7 . 1 1 49 49 SER H H 84 11.408 11.408 9.074 2.334 18179 3937 1 7 . 1 1 50 50 GLN N N 85 118.214 118.214 120.624 -2.410 18179 3938 1 7 . 1 1 50 50 GLN HA H 85 3.701 3.701 3.990 -0.289 18179 3939 1 7 . 1 1 50 50 GLN C C 85 178.213 178.213 177.748 0.465 18179 3940 1 7 . 1 1 50 50 GLN CA C 85 58.201 58.201 58.514 -0.313 18179 3941 1 7 . 1 1 50 50 GLN CB C 85 27.294 27.294 27.762 -0.468 18179 3942 1 7 . 1 1 50 50 GLN H H 85 8.192 8.192 8.047 0.145 18179 3943 1 7 . 1 1 51 51 ALA N N 86 121.790 121.790 122.642 -0.852 18179 3944 1 7 . 1 1 51 51 ALA HA H 86 4.099 4.099 4.026 0.073 18179 3945 1 7 . 1 1 51 51 ALA C C 86 180.512 180.512 179.537 0.975 18179 3946 1 7 . 1 1 51 51 ALA CA C 86 54.742 54.742 54.709 0.033 18179 3947 1 7 . 1 1 51 51 ALA CB C 86 18.559 18.559 18.130 0.429 18179 3948 1 7 . 1 1 51 51 ALA H H 86 7.748 7.748 7.845 -0.097 18179 3949 1 7 . 1 1 52 52 LEU N N 87 118.528 118.528 118.230 0.298 18179 3950 1 7 . 1 1 52 52 LEU HA H 87 4.076 4.076 4.289 -0.213 18179 3951 1 7 . 1 1 52 52 LEU CA C 87 57.266 57.266 56.117 1.149 18179 3952 1 7 . 1 1 52 52 LEU CB C 87 41.947 41.947 41.955 -0.007 18179 3953 1 7 . 1 1 52 52 LEU H H 87 7.918 7.918 7.617 0.301 18179 3954 1 7 . 1 1 53 53 LYS N N 88 120.398 120.398 120.616 -0.218 18179 3955 1 7 . 1 1 53 53 LYS H H 88 7.932 7.932 8.266 -0.334 18179 3956 1 7 . 1 1 54 54 LYS N N 89 115.219 115.219 119.877 -4.658 18179 3957 1 7 . 1 1 54 54 LYS HA H 89 3.790 3.790 4.040 -0.250 18179 3958 1 7 . 1 1 54 54 LYS C C 89 178.614 178.614 178.678 -0.064 18179 3959 1 7 . 1 1 54 54 LYS CA C 89 59.308 59.308 59.999 -0.691 18179 3960 1 7 . 1 1 54 54 LYS CB C 89 32.530 32.530 32.297 0.233 18179 3961 1 7 . 1 1 54 54 LYS H H 89 6.889 6.889 7.855 -0.966 18179 3962 1 7 . 1 1 55 55 VAL N N 90 110.991 110.991 119.359 -8.368 18179 3963 1 7 . 1 1 55 55 VAL HA H 90 4.049 4.049 3.686 0.363 18179 3964 1 7 . 1 1 55 55 VAL C C 90 178.054 178.054 178.217 -0.163 18179 3965 1 7 . 1 1 55 55 VAL CA C 90 64.467 64.467 66.379 -1.912 18179 3966 1 7 . 1 1 55 55 VAL CB C 90 31.625 31.625 31.195 0.430 18179 3967 1 7 . 1 1 55 55 VAL H H 90 6.748 6.748 7.371 -0.623 18179 3968 1 7 . 1 1 56 56 PHE N N 91 124.010 124.010 120.651 3.359 18179 3969 1 7 . 1 1 56 56 PHE HA H 91 3.829 3.829 4.084 -0.255 18179 3970 1 7 . 1 1 56 56 PHE C C 91 177.496 177.496 176.381 1.115 18179 3971 1 7 . 1 1 56 56 PHE CA C 91 61.854 61.854 61.116 0.738 18179 3972 1 7 . 1 1 56 56 PHE CB C 91 41.828 41.828 39.191 2.638 18179 3973 1 7 . 1 1 56 56 PHE H H 91 8.722 8.722 8.054 0.668 18179 3974 1 7 . 1 1 57 57 ALA N N 92 118.444 118.444 119.858 -1.414 18179 3975 1 7 . 1 1 57 57 ALA HA H 92 4.185 4.185 3.928 0.257 18179 3976 1 7 . 1 1 57 57 ALA C C 92 180.660 180.660 179.460 1.200 18179 3977 1 7 . 1 1 57 57 ALA CA C 92 54.288 54.288 54.609 -0.322 18179 3978 1 7 . 1 1 57 57 ALA CB C 92 18.487 18.487 18.712 -0.225 18179 3979 1 7 . 1 1 57 57 ALA H H 92 8.695 8.695 8.242 0.453 18179 3980 1 7 . 1 1 58 58 GLU N N 93 112.263 112.263 116.541 -4.278 18179 3981 1 7 . 1 1 58 58 GLU HA H 93 4.156 4.156 4.122 0.034 18179 3982 1 7 . 1 1 58 58 GLU C C 93 175.641 175.641 177.087 -1.446 18179 3983 1 7 . 1 1 58 58 GLU CA C 93 55.883 55.883 57.526 -1.643 18179 3984 1 7 . 1 1 58 58 GLU CB C 93 30.495 30.495 29.946 0.549 18179 3985 1 7 . 1 1 58 58 GLU H H 93 7.108 7.108 8.505 -1.397 18179 3986 1 7 . 1 1 59 59 ASN N N 94 120.422 120.422 119.208 1.214 18179 3987 1 7 . 1 1 59 59 ASN HA H 94 4.590 4.590 4.834 -0.244 18179 3988 1 7 . 1 1 59 59 ASN C C 94 174.151 174.151 175.140 -0.989 18179 3989 1 7 . 1 1 59 59 ASN CA C 94 54.056 54.056 52.330 1.726 18179 3990 1 7 . 1 1 59 59 ASN CB C 94 38.723 38.723 38.931 -0.208 18179 3991 1 7 . 1 1 59 59 ASN H H 94 7.269 7.269 7.654 -0.385 18179 3992 1 7 . 1 1 60 60 LYS N N 95 127.497 127.497 124.605 2.892 18179 3993 1 7 . 1 1 60 60 LYS HA H 95 3.770 3.770 3.828 -0.058 18179 3994 1 7 . 1 1 60 60 LYS C C 95 178.959 178.959 177.893 1.066 18179 3995 1 7 . 1 1 60 60 LYS CA C 95 59.337 59.337 58.807 0.530 18179 3996 1 7 . 1 1 60 60 LYS CB C 95 32.170 32.170 32.200 -0.030 18179 3997 1 7 . 1 1 60 60 LYS H H 95 8.672 8.672 8.770 -0.098 18179 3998 1 7 . 1 1 61 61 GLU N N 96 119.409 119.409 118.791 0.618 18179 3999 1 7 . 1 1 61 61 GLU HA H 96 3.984 3.984 4.021 -0.037 18179 4000 1 7 . 1 1 61 61 GLU C C 96 179.574 179.574 178.864 0.710 18179 4001 1 7 . 1 1 61 61 GLU CA C 96 59.955 59.955 59.161 0.794 18179 4002 1 7 . 1 1 61 61 GLU CB C 96 29.246 29.246 29.284 -0.038 18179 4003 1 7 . 1 1 61 61 GLU H H 96 7.988 7.988 8.691 -0.703 18179 4004 1 7 . 1 1 62 62 ILE N N 97 122.621 122.621 119.532 3.089 18179 4005 1 7 . 1 1 62 62 ILE HA H 97 3.224 3.224 3.748 -0.524 18179 4006 1 7 . 1 1 62 62 ILE C C 97 177.158 177.158 177.615 -0.457 18179 4007 1 7 . 1 1 62 62 ILE CA C 97 65.787 65.787 64.360 1.427 18179 4008 1 7 . 1 1 62 62 ILE CB C 97 37.710 37.710 38.019 -0.309 18179 4009 1 7 . 1 1 62 62 ILE H H 97 8.484 8.484 7.474 1.010 18179 4010 1 7 . 1 1 63 63 GLN N N 98 115.619 115.619 119.604 -3.985 18179 4011 1 7 . 1 1 63 63 GLN HA H 98 3.481 3.481 3.113 0.368 18179 4012 1 7 . 1 1 63 63 GLN C C 98 178.097 178.097 177.942 0.155 18179 4013 1 7 . 1 1 63 63 GLN CA C 98 58.601 58.601 58.655 -0.054 18179 4014 1 7 . 1 1 63 63 GLN CB C 98 28.834 28.834 28.175 0.658 18179 4015 1 7 . 1 1 63 63 GLN H H 98 8.046 8.046 7.461 0.585 18179 4016 1 7 . 1 1 64 64 LYS N N 99 116.464 116.464 120.014 -3.550 18179 4017 1 7 . 1 1 64 64 LYS HA H 99 4.125 4.125 3.919 0.206 18179 4018 1 7 . 1 1 64 64 LYS C C 99 179.740 179.740 178.717 1.023 18179 4019 1 7 . 1 1 64 64 LYS CA C 99 57.955 57.955 58.743 -0.788 18179 4020 1 7 . 1 1 64 64 LYS CB C 99 32.054 32.054 31.826 0.228 18179 4021 1 7 . 1 1 64 64 LYS H H 99 7.578 7.578 8.145 -0.567 18179 4022 1 7 . 1 1 65 65 LEU N N 100 122.576 122.576 118.690 3.886 18179 4023 1 7 . 1 1 65 65 LEU HA H 100 4.128 4.128 3.843 0.285 18179 4024 1 7 . 1 1 65 65 LEU C C 100 178.481 178.481 177.820 0.661 18179 4025 1 7 . 1 1 65 65 LEU CA C 100 57.044 57.044 57.896 -0.852 18179 4026 1 7 . 1 1 65 65 LEU CB C 100 41.883 41.883 41.711 0.173 18179 4027 1 7 . 1 1 65 65 LEU H H 100 7.916 7.916 7.345 0.571 18179 4028 1 7 . 1 1 66 66 ALA N N 101 119.534 119.534 119.211 0.323 18179 4029 1 7 . 1 1 66 66 ALA HA H 101 3.810 3.810 4.223 -0.413 18179 4030 1 7 . 1 1 66 66 ALA C C 101 177.520 177.520 178.847 -1.327 18179 4031 1 7 . 1 1 66 66 ALA CA C 101 54.772 54.772 54.213 0.559 18179 4032 1 7 . 1 1 66 66 ALA CB C 101 17.737 17.737 18.546 -0.809 18179 4033 1 7 . 1 1 66 66 ALA H H 101 8.511 8.511 7.281 1.230 18179 4034 1 7 . 1 1 67 67 GLU N N 102 113.081 113.081 117.398 -4.317 18179 4035 1 7 . 1 1 67 67 GLU HA H 102 4.113 4.113 4.070 0.043 18179 4036 1 7 . 1 1 67 67 GLU C C 102 178.295 178.295 178.308 -0.013 18179 4037 1 7 . 1 1 67 67 GLU CA C 102 58.285 58.285 58.367 -0.082 18179 4038 1 7 . 1 1 67 67 GLU CB C 102 29.952 29.952 29.711 0.241 18179 4039 1 7 . 1 1 67 67 GLU H H 102 7.039 7.039 7.800 -0.761 18179 4040 1 7 . 1 1 68 68 GLN N N 103 116.244 116.244 116.193 0.051 18179 4041 1 7 . 1 1 68 68 GLN HA H 103 4.107 4.107 4.168 -0.061 18179 4042 1 7 . 1 1 68 68 GLN C C 103 173.173 173.173 176.563 -3.390 18179 4043 1 7 . 1 1 68 68 GLN CA C 103 56.094 56.094 57.231 -1.137 18179 4044 1 7 . 1 1 68 68 GLN CB C 103 28.703 28.703 29.060 -0.357 18179 4045 1 7 . 1 1 68 68 GLN H H 103 8.167 8.167 7.511 0.656 18179 4046 1 7 . 1 1 69 69 PHE N N 104 116.822 116.822 116.005 0.817 18179 4047 1 7 . 1 1 69 69 PHE HA H 104 4.645 4.645 4.730 -0.085 18179 4048 1 7 . 1 1 69 69 PHE C C 104 177.346 177.346 176.242 1.104 18179 4049 1 7 . 1 1 69 69 PHE CA C 104 57.254 57.254 55.689 1.565 18179 4050 1 7 . 1 1 69 69 PHE CB C 104 40.897 40.897 40.477 0.420 18179 4051 1 7 . 1 1 69 69 PHE H H 104 7.633 7.633 7.082 0.551 18179 4052 1 7 . 1 1 70 70 VAL N N 105 120.799 120.799 121.160 -0.361 18179 4053 1 7 . 1 1 70 70 VAL HA H 105 3.867 3.867 4.251 -0.384 18179 4054 1 7 . 1 1 70 70 VAL C C 105 174.191 174.191 174.461 -0.270 18179 4055 1 7 . 1 1 70 70 VAL CA C 105 63.450 63.450 62.018 1.432 18179 4056 1 7 . 1 1 70 70 VAL CB C 105 31.566 31.566 31.699 -0.133 18179 4057 1 7 . 1 1 70 70 VAL H H 105 8.943 8.943 8.634 0.309 18179 4058 1 7 . 1 1 71 71 LEU N N 106 129.105 129.105 128.034 1.071 18179 4059 1 7 . 1 1 71 71 LEU HA H 106 4.850 4.850 4.679 0.171 18179 4060 1 7 . 1 1 71 71 LEU CA C 106 53.854 53.854 53.596 0.258 18179 4061 1 7 . 1 1 71 71 LEU CB C 106 44.478 44.478 44.048 0.430 18179 4062 1 7 . 1 1 71 71 LEU H H 106 8.432 8.432 8.198 0.234 18179 4063 1 7 . 1 1 72 72 LEU N N 107 123.682 123.682 125.901 -2.219 18179 4064 1 7 . 1 1 72 72 LEU H H 107 8.298 8.298 7.937 0.361 18179 4065 1 7 . 1 1 73 73 ASN N N 108 125.520 125.520 121.792 3.728 18179 4066 1 7 . 1 1 73 73 ASN CA C 108 51.631 51.631 54.039 -2.408 18179 4067 1 7 . 1 1 73 73 ASN CB C 108 41.484 41.484 38.701 2.783 18179 4068 1 7 . 1 1 73 73 ASN H H 108 9.761 9.761 8.691 1.070 18179 4069 1 7 . 1 1 74 74 LEU N N 109 122.070 122.070 121.672 0.398 18179 4070 1 7 . 1 1 74 74 LEU H H 109 8.563 8.563 7.947 0.616 18179 4071 1 7 . 1 1 75 75 VAL HA H 110 5.100 5.100 4.275 0.825 18179 4072 1 7 . 1 1 75 75 VAL CA C 110 59.157 59.157 61.807 -2.650 18179 4073 1 7 . 1 1 76 76 TYR N N 111 120.641 120.641 119.963 0.678 18179 4074 1 7 . 1 1 76 76 TYR HA H 111 4.569 4.569 4.662 -0.093 18179 4075 1 7 . 1 1 76 76 TYR C C 111 175.393 175.393 175.512 -0.119 18179 4076 1 7 . 1 1 76 76 TYR CA C 111 57.736 57.736 56.762 0.974 18179 4077 1 7 . 1 1 76 76 TYR CB C 111 39.426 39.426 40.492 -1.065 18179 4078 1 7 . 1 1 76 76 TYR H H 111 8.255 8.255 7.445 0.810 18179 4079 1 7 . 1 1 79 79 THR HA H 114 4.180 4.180 4.480 -0.300 18179 4080 1 7 . 1 1 79 79 THR CA C 114 61.295 61.295 61.699 -0.404 18179 4081 1 7 . 1 1 79 79 THR CB C 114 68.683 68.683 70.620 -1.937 18179 4082 1 7 . 1 1 80 80 ASP N N 115 121.026 121.026 127.169 -6.143 18179 4083 1 7 . 1 1 80 80 ASP C C 115 177.959 177.959 176.898 1.061 18179 4084 1 7 . 1 1 80 80 ASP CA C 115 53.276 53.276 54.321 -1.045 18179 4085 1 7 . 1 1 80 80 ASP H H 115 7.746 7.746 8.544 -0.798 18179 4086 1 7 . 1 1 81 81 LYS N N 116 129.056 129.056 126.679 2.377 18179 4087 1 7 . 1 1 81 81 LYS HA H 116 3.828 3.828 3.966 -0.138 18179 4088 1 7 . 1 1 81 81 LYS C C 116 179.118 179.118 177.470 1.648 18179 4089 1 7 . 1 1 81 81 LYS CA C 116 57.957 57.957 58.778 -0.821 18179 4090 1 7 . 1 1 81 81 LYS CB C 116 31.273 31.273 32.608 -1.335 18179 4091 1 7 . 1 1 81 81 LYS H H 116 8.873 8.873 8.651 0.222 18179 4092 1 7 . 1 1 82 82 HIS N N 117 116.887 116.887 116.500 0.387 18179 4093 1 7 . 1 1 82 82 HIS HA H 117 4.290 4.290 4.365 -0.075 18179 4094 1 7 . 1 1 82 82 HIS C C 117 175.622 175.622 176.363 -0.741 18179 4095 1 7 . 1 1 82 82 HIS CA C 117 57.865 57.865 58.399 -0.534 18179 4096 1 7 . 1 1 82 82 HIS CB C 117 27.704 27.704 29.857 -2.153 18179 4097 1 7 . 1 1 82 82 HIS H H 117 8.707 8.707 7.774 0.933 18179 4098 1 7 . 1 1 83 83 LEU N N 118 113.733 113.733 117.440 -3.707 18179 4099 1 7 . 1 1 83 83 LEU HA H 118 4.290 4.290 4.317 -0.027 18179 4100 1 7 . 1 1 83 83 LEU C C 118 175.949 175.949 176.842 -0.893 18179 4101 1 7 . 1 1 83 83 LEU CA C 118 53.982 53.982 56.015 -2.033 18179 4102 1 7 . 1 1 83 83 LEU CB C 118 41.734 41.734 43.140 -1.406 18179 4103 1 7 . 1 1 83 83 LEU H H 118 7.332 7.332 7.703 -0.371 18179 4104 1 7 . 1 1 84 84 SER N N 119 111.979 111.979 111.057 0.922 18179 4105 1 7 . 1 1 84 84 SER HA H 119 4.632 4.632 4.770 -0.138 18179 4106 1 7 . 1 1 84 84 SER C C 119 173.830 173.830 172.101 1.729 18179 4107 1 7 . 1 1 84 84 SER CA C 119 55.581 55.581 56.189 -0.608 18179 4108 1 7 . 1 1 84 84 SER CB C 119 62.367 62.367 64.059 -1.692 18179 4109 1 7 . 1 1 84 84 SER H H 119 7.268 7.268 8.253 -0.985 18179 4110 1 7 . 1 1 85 85 PRO HA H 120 4.384 4.384 4.524 -0.140 18179 4111 1 7 . 1 1 85 85 PRO C C 120 177.881 177.881 176.462 1.419 18179 4112 1 7 . 1 1 85 85 PRO CA C 120 65.292 65.292 63.739 1.554 18179 4113 1 7 . 1 1 85 85 PRO CB C 120 31.942 31.942 32.176 -0.234 18179 4114 1 7 . 1 1 86 86 ASP N N 121 117.614 117.614 119.586 -1.972 18179 4115 1 7 . 1 1 86 86 ASP HA H 121 4.960 4.960 4.772 0.188 18179 4116 1 7 . 1 1 86 86 ASP C C 121 174.734 174.734 175.646 -0.912 18179 4117 1 7 . 1 1 86 86 ASP CA C 121 51.999 51.999 53.449 -1.450 18179 4118 1 7 . 1 1 86 86 ASP CB C 121 40.327 40.327 40.248 0.079 18179 4119 1 7 . 1 1 86 86 ASP H H 121 8.882 8.882 8.056 0.826 18179 4120 1 7 . 1 1 87 87 GLY N N 122 106.815 106.815 107.790 -0.975 18179 4121 1 7 . 1 1 87 87 GLY C C 122 173.401 173.401 174.475 -1.074 18179 4122 1 7 . 1 1 87 87 GLY CA C 122 43.814 43.814 44.758 -0.944 18179 4123 1 7 . 1 1 87 87 GLY H H 122 6.973 6.973 7.862 -0.889 18179 4124 1 7 . 1 1 88 88 GLN N N 123 118.319 118.319 121.758 -3.439 18179 4125 1 7 . 1 1 88 88 GLN HA H 123 3.984 3.984 4.463 -0.479 18179 4126 1 7 . 1 1 88 88 GLN C C 123 174.141 174.141 176.045 -1.904 18179 4127 1 7 . 1 1 88 88 GLN CA C 123 54.717 54.717 54.705 0.012 18179 4128 1 7 . 1 1 88 88 GLN CB C 123 27.267 27.267 28.918 -1.651 18179 4129 1 7 . 1 1 88 88 GLN H H 123 8.224 8.224 8.356 -0.132 18179 4130 1 7 . 1 1 89 89 TYR N N 124 117.220 117.220 119.396 -2.176 18179 4131 1 7 . 1 1 89 89 TYR HA H 124 4.596 4.596 4.346 0.250 18179 4132 1 7 . 1 1 89 89 TYR C C 124 173.402 173.402 176.623 -3.221 18179 4133 1 7 . 1 1 89 89 TYR CA C 124 54.672 54.672 58.620 -3.948 18179 4134 1 7 . 1 1 89 89 TYR CB C 124 38.970 38.970 38.564 0.406 18179 4135 1 7 . 1 1 89 89 TYR H H 124 5.954 5.954 7.650 -1.696 18179 4136 1 7 . 1 1 90 90 VAL N N 125 109.249 109.249 118.463 -9.214 18179 4137 1 7 . 1 1 90 90 VAL HA H 125 4.572 4.572 4.180 0.392 18179 4138 1 7 . 1 1 90 90 VAL C C 125 173.254 173.254 175.198 -1.944 18179 4139 1 7 . 1 1 90 90 VAL CA C 125 57.982 57.982 60.890 -2.908 18179 4140 1 7 . 1 1 90 90 VAL CB C 125 35.376 35.376 32.185 3.191 18179 4141 1 7 . 1 1 90 90 VAL H H 125 8.303 8.303 8.564 -0.261 18179 4142 1 7 . 1 1 92 92 ARG HA H 127 5.178 5.178 4.752 0.426 18179 4143 1 7 . 1 1 92 92 ARG CA C 127 55.689 55.689 55.711 -0.022 18179 4144 1 7 . 1 1 93 93 ILE N N 128 127.696 127.696 125.406 2.290 18179 4145 1 7 . 1 1 93 93 ILE HA H 128 5.088 5.088 4.206 0.882 18179 4146 1 7 . 1 1 93 93 ILE CA C 128 61.063 61.063 60.478 0.585 18179 4147 1 7 . 1 1 93 93 ILE CB C 128 39.101 39.101 37.654 1.448 18179 4148 1 7 . 1 1 93 93 ILE H H 128 9.099 9.099 8.747 0.352 18179 4149 1 7 . 1 1 94 94 MET N N 129 122.683 122.683 125.952 -3.269 18179 4150 1 7 . 1 1 94 94 MET C C 129 174.006 174.006 173.836 0.170 18179 4151 1 7 . 1 1 94 94 MET CA C 129 51.503 51.503 53.953 -2.450 18179 4152 1 7 . 1 1 94 94 MET CB C 129 34.764 34.764 37.023 -2.259 18179 4153 1 7 . 1 1 94 94 MET H H 129 8.496 8.496 8.155 0.341 18179 4154 1 7 . 1 1 95 95 PHE N N 130 118.014 118.014 121.040 -3.026 18179 4155 1 7 . 1 1 95 95 PHE HA H 130 5.589 5.589 5.336 0.253 18179 4156 1 7 . 1 1 95 95 PHE C C 130 174.811 174.811 173.188 1.623 18179 4157 1 7 . 1 1 95 95 PHE CA C 130 56.432 56.432 55.427 1.005 18179 4158 1 7 . 1 1 95 95 PHE CB C 130 41.941 41.941 41.202 0.739 18179 4159 1 7 . 1 1 95 95 PHE H H 130 8.573 8.573 8.217 0.356 18179 4160 1 7 . 1 1 96 96 VAL N N 131 122.847 122.847 113.705 9.142 18179 4161 1 7 . 1 1 96 96 VAL HA H 131 4.337 4.337 4.975 -0.638 18179 4162 1 7 . 1 1 96 96 VAL C C 131 174.303 174.303 174.033 0.270 18179 4163 1 7 . 1 1 96 96 VAL CA C 131 61.405 61.405 59.914 1.491 18179 4164 1 7 . 1 1 96 96 VAL CB C 131 34.679 34.679 36.149 -1.470 18179 4165 1 7 . 1 1 96 96 VAL H H 131 9.855 9.855 8.510 1.345 18179 4166 1 7 . 1 1 97 97 ASP N N 132 128.042 128.042 118.057 9.985 18179 4167 1 7 . 1 1 97 97 ASP HA H 132 4.883 4.883 4.804 0.079 18179 4168 1 7 . 1 1 97 97 ASP C C 132 174.958 174.958 174.196 0.762 18179 4169 1 7 . 1 1 97 97 ASP CA C 132 53.082 53.082 53.411 -0.329 18179 4170 1 7 . 1 1 97 97 ASP CB C 132 45.484 45.484 43.887 1.597 18179 4171 1 7 . 1 1 97 97 ASP H H 132 8.399 8.399 7.746 0.653 18179 4172 1 7 . 1 1 98 98 PRO HA H 133 4.566 4.566 4.344 0.222 18179 4173 1 7 . 1 1 98 98 PRO C C 133 175.650 175.650 177.226 -1.576 18179 4174 1 7 . 1 1 98 98 PRO CA C 133 65.207 65.207 64.874 0.334 18179 4175 1 7 . 1 1 98 98 PRO CB C 133 31.858 31.858 32.041 -0.183 18179 4176 1 7 . 1 1 99 99 SER N N 134 111.171 111.171 112.015 -0.844 18179 4177 1 7 . 1 1 99 99 SER HA H 134 4.122 4.122 4.463 -0.341 18179 4178 1 7 . 1 1 99 99 SER C C 134 175.303 175.303 175.626 -0.323 18179 4179 1 7 . 1 1 99 99 SER CA C 134 60.237 60.237 59.551 0.686 18179 4180 1 7 . 1 1 99 99 SER CB C 134 64.471 64.471 63.830 0.641 18179 4181 1 7 . 1 1 99 99 SER H H 134 8.154 8.154 8.209 -0.055 18179 4182 1 7 . 1 1 100 100 LEU N N 135 118.112 118.112 121.088 -2.976 18179 4183 1 7 . 1 1 100 100 LEU HA H 135 3.683 3.683 4.266 -0.584 18179 4184 1 7 . 1 1 100 100 LEU C C 135 175.886 175.886 176.924 -1.038 18179 4185 1 7 . 1 1 100 100 LEU CA C 135 56.548 56.548 56.644 -0.096 18179 4186 1 7 . 1 1 100 100 LEU CB C 135 36.922 36.922 43.206 -6.284 18179 4187 1 7 . 1 1 100 100 LEU H H 135 9.194 9.194 8.685 0.509 18179 4188 1 7 . 1 1 101 101 THR N N 136 116.048 116.048 109.361 6.687 18179 4189 1 7 . 1 1 101 101 THR HA H 136 4.191 4.191 4.430 -0.239 18179 4190 1 7 . 1 1 101 101 THR C C 136 173.771 173.771 172.113 1.658 18179 4191 1 7 . 1 1 101 101 THR CA C 136 62.123 62.123 61.699 0.424 18179 4192 1 7 . 1 1 101 101 THR CB C 136 70.407 70.407 70.808 -0.401 18179 4193 1 7 . 1 1 101 101 THR H H 136 7.022 7.022 7.531 -0.509 18179 4194 1 7 . 1 1 102 102 VAL N N 137 129.098 129.098 122.985 6.113 18179 4195 1 7 . 1 1 102 102 VAL HA H 137 3.874 3.874 4.270 -0.396 18179 4196 1 7 . 1 1 102 102 VAL C C 137 177.079 177.079 174.302 2.777 18179 4197 1 7 . 1 1 102 102 VAL CA C 137 64.163 64.163 60.712 3.451 18179 4198 1 7 . 1 1 102 102 VAL CB C 137 31.858 31.858 35.340 -3.482 18179 4199 1 7 . 1 1 102 102 VAL H H 137 9.039 9.039 8.468 0.571 18179 4200 1 7 . 1 1 103 103 ARG N N 138 128.421 128.421 127.310 1.111 18179 4201 1 7 . 1 1 103 103 ARG HA H 138 4.724 4.724 3.175 1.549 18179 4202 1 7 . 1 1 103 103 ARG C C 138 177.315 177.315 174.844 2.471 18179 4203 1 7 . 1 1 103 103 ARG CA C 138 50.845 50.845 55.902 -5.057 18179 4204 1 7 . 1 1 103 103 ARG CB C 138 25.210 25.210 28.526 -3.316 18179 4205 1 7 . 1 1 103 103 ARG H H 138 9.355 9.355 8.107 1.248 18179 4206 1 7 . 1 1 104 104 ALA N N 139 130.638 130.638 128.713 1.925 18179 4207 1 7 . 1 1 104 104 ALA HA H 139 4.128 4.128 4.321 -0.193 18179 4208 1 7 . 1 1 104 104 ALA C C 139 170.819 170.819 176.839 -6.020 18179 4209 1 7 . 1 1 104 104 ALA CA C 139 53.517 53.517 52.473 1.044 18179 4210 1 7 . 1 1 104 104 ALA CB C 139 18.047 18.047 20.320 -2.273 18179 4211 1 7 . 1 1 104 104 ALA H H 139 8.340 8.340 7.875 0.465 18179 4212 1 7 . 1 1 105 105 ASP N N 140 113.599 113.599 118.126 -4.527 18179 4213 1 7 . 1 1 105 105 ASP HA H 140 4.356 4.356 4.648 -0.292 18179 4214 1 7 . 1 1 105 105 ASP C C 140 175.173 175.173 174.820 0.353 18179 4215 1 7 . 1 1 105 105 ASP CA C 140 54.097 54.097 53.796 0.301 18179 4216 1 7 . 1 1 105 105 ASP CB C 140 39.219 39.219 41.721 -2.502 18179 4217 1 7 . 1 1 105 105 ASP H H 140 9.653 9.653 8.360 1.293 18179 4218 1 7 . 1 1 106 106 ILE N N 141 122.867 122.867 121.348 1.519 18179 4219 1 7 . 1 1 106 106 ILE HA H 141 4.332 4.332 4.275 0.057 18179 4220 1 7 . 1 1 106 106 ILE C C 141 174.778 174.778 174.309 0.469 18179 4221 1 7 . 1 1 106 106 ILE CA C 141 62.464 62.464 61.596 0.868 18179 4222 1 7 . 1 1 106 106 ILE CB C 141 36.210 36.210 39.641 -3.431 18179 4223 1 7 . 1 1 106 106 ILE H H 141 7.541 7.541 8.499 -0.958 18179 4224 1 7 . 1 1 107 107 THR N N 142 117.525 117.525 120.392 -2.867 18179 4225 1 7 . 1 1 107 107 THR HA H 142 4.721 4.721 4.680 0.041 18179 4226 1 7 . 1 1 107 107 THR C C 142 175.898 175.898 175.357 0.541 18179 4227 1 7 . 1 1 107 107 THR CA C 142 59.199 59.199 60.961 -1.762 18179 4228 1 7 . 1 1 107 107 THR CB C 142 71.817 71.817 70.878 0.939 18179 4229 1 7 . 1 1 107 107 THR H H 142 7.816 7.816 8.299 -0.483 18179 4230 1 7 . 1 1 108 108 GLY N N 143 109.853 109.853 115.762 -5.909 18179 4231 1 7 . 1 1 108 108 GLY C C 143 174.389 174.389 173.285 1.104 18179 4232 1 7 . 1 1 108 108 GLY CA C 143 44.291 44.291 45.891 -1.599 18179 4233 1 7 . 1 1 108 108 GLY H H 143 8.891 8.891 8.776 0.115 18179 4234 1 7 . 1 1 109 109 ARG N N 144 116.076 116.076 119.331 -3.255 18179 4235 1 7 . 1 1 109 109 ARG HA H 144 4.006 4.006 4.438 -0.432 18179 4236 1 7 . 1 1 109 109 ARG C C 144 176.521 176.521 175.084 1.437 18179 4237 1 7 . 1 1 109 109 ARG CA C 144 55.989 55.989 53.550 2.439 18179 4238 1 7 . 1 1 109 109 ARG CB C 144 30.851 30.851 31.750 -0.899 18179 4239 1 7 . 1 1 109 109 ARG H H 144 8.108 8.108 7.592 0.516 18179 4240 1 7 . 1 1 110 110 TYR N N 145 123.010 123.010 122.019 0.991 18179 4241 1 7 . 1 1 110 110 TYR HA H 145 4.506 4.506 4.272 0.234 18179 4242 1 7 . 1 1 110 110 TYR C C 145 178.395 178.395 175.401 2.994 18179 4243 1 7 . 1 1 110 110 TYR CA C 145 57.217 57.217 59.882 -2.665 18179 4244 1 7 . 1 1 110 110 TYR CB C 145 37.232 37.232 36.876 0.356 18179 4245 1 7 . 1 1 110 110 TYR H H 145 8.825 8.825 8.894 -0.069 18179 4246 1 7 . 1 1 111 111 SER N N 146 120.152 120.152 122.878 -2.726 18179 4247 1 7 . 1 1 111 111 SER HA H 146 3.948 3.948 4.343 -0.395 18179 4248 1 7 . 1 1 111 111 SER C C 146 174.939 174.939 175.088 -0.149 18179 4249 1 7 . 1 1 111 111 SER CA C 146 60.850 60.850 59.668 1.182 18179 4250 1 7 . 1 1 111 111 SER CB C 146 62.776 62.776 63.741 -0.965 18179 4251 1 7 . 1 1 111 111 SER H H 146 8.616 8.616 8.147 0.469 18179 4252 1 7 . 1 1 112 112 ASN N N 147 116.146 116.146 119.217 -3.071 18179 4253 1 7 . 1 1 112 112 ASN HA H 147 4.558 4.558 4.227 0.331 18179 4254 1 7 . 1 1 112 112 ASN C C 147 173.693 173.693 173.740 -0.047 18179 4255 1 7 . 1 1 112 112 ASN CA C 147 53.209 53.209 51.991 1.218 18179 4256 1 7 . 1 1 112 112 ASN CB C 147 37.534 37.534 38.170 -0.636 18179 4257 1 7 . 1 1 112 112 ASN H H 147 8.374 8.374 8.192 0.182 18179 4258 1 7 . 1 1 113 113 ARG N N 148 121.673 121.673 118.083 3.590 18179 4259 1 7 . 1 1 113 113 ARG HA H 148 4.226 4.226 3.547 0.679 18179 4260 1 7 . 1 1 113 113 ARG C C 148 176.358 176.358 176.162 0.196 18179 4261 1 7 . 1 1 113 113 ARG CA C 148 55.251 55.251 56.504 -1.252 18179 4262 1 7 . 1 1 113 113 ARG CB C 148 30.973 30.973 28.559 2.414 18179 4263 1 7 . 1 1 113 113 ARG H H 148 6.782 6.782 7.498 -0.716 18179 4264 1 7 . 1 1 114 114 LEU N N 149 125.966 125.966 119.325 6.641 18179 4265 1 7 . 1 1 114 114 LEU HA H 149 3.776 3.776 4.163 -0.387 18179 4266 1 7 . 1 1 114 114 LEU C C 149 175.787 175.787 177.462 -1.675 18179 4267 1 7 . 1 1 114 114 LEU CA C 149 57.640 57.640 57.321 0.319 18179 4268 1 7 . 1 1 114 114 LEU CB C 149 43.153 43.153 41.736 1.417 18179 4269 1 7 . 1 1 114 114 LEU H H 149 9.976 9.976 8.317 1.659 18179 4270 1 7 . 1 1 115 115 TYR N N 150 115.137 115.137 112.369 2.768 18179 4271 1 7 . 1 1 115 115 TYR HA H 150 4.947 4.947 4.735 0.212 18179 4272 1 7 . 1 1 115 115 TYR C C 150 174.449 174.449 173.699 0.750 18179 4273 1 7 . 1 1 115 115 TYR CA C 150 55.986 55.986 56.813 -0.827 18179 4274 1 7 . 1 1 115 115 TYR CB C 150 38.660 38.660 38.743 -0.083 18179 4275 1 7 . 1 1 115 115 TYR H H 150 8.272 8.272 7.440 0.832 18179 4276 1 7 . 1 1 116 116 ALA N N 151 121.349 121.349 127.249 -5.900 18179 4277 1 7 . 1 1 116 116 ALA HA H 151 5.086 5.086 4.634 0.452 18179 4278 1 7 . 1 1 116 116 ALA C C 151 177.541 177.541 174.872 2.669 18179 4279 1 7 . 1 1 116 116 ALA CA C 151 51.614 51.614 52.406 -0.792 18179 4280 1 7 . 1 1 116 116 ALA CB C 151 21.262 21.262 20.741 0.521 18179 4281 1 7 . 1 1 116 116 ALA H H 151 7.515 7.515 7.956 -0.441 18179 4282 1 7 . 1 1 117 117 TYR N N 152 115.287 115.287 123.552 -8.265 18179 4283 1 7 . 1 1 117 117 TYR HA H 152 4.693 4.693 4.677 0.016 18179 4284 1 7 . 1 1 117 117 TYR C C 152 173.749 173.749 174.026 -0.277 18179 4285 1 7 . 1 1 117 117 TYR CA C 152 58.142 58.142 59.271 -1.129 18179 4286 1 7 . 1 1 117 117 TYR CB C 152 42.827 42.827 40.548 2.279 18179 4287 1 7 . 1 1 117 117 TYR H H 152 6.916 6.916 9.112 -2.196 18179 4288 1 7 . 1 1 118 118 GLU N N 153 122.624 122.624 120.734 1.890 18179 4289 1 7 . 1 1 118 118 GLU HA H 153 4.951 4.951 4.463 0.488 18179 4290 1 7 . 1 1 118 118 GLU C C 153 175.895 175.895 174.985 0.910 18179 4291 1 7 . 1 1 118 118 GLU CA C 153 54.029 54.029 53.401 0.627 18179 4292 1 7 . 1 1 118 118 GLU CB C 153 29.513 29.513 30.122 -0.609 18179 4293 1 7 . 1 1 118 118 GLU H H 153 9.508 9.508 8.073 1.435 18179 4294 1 7 . 1 1 119 119 PRO HA H 154 4.119 4.119 4.339 -0.220 18179 4295 1 7 . 1 1 119 119 PRO C C 154 176.457 176.457 177.293 -0.836 18179 4296 1 7 . 1 1 119 119 PRO CA C 154 66.240 66.240 64.676 1.564 18179 4297 1 7 . 1 1 119 119 PRO CB C 154 31.682 31.682 31.968 -0.287 18179 4298 1 7 . 1 1 120 120 ALA N N 155 114.721 114.721 122.012 -7.291 18179 4299 1 7 . 1 1 120 120 ALA HA H 155 4.372 4.372 4.239 0.133 18179 4300 1 7 . 1 1 120 120 ALA C C 155 178.528 178.528 178.875 -0.347 18179 4301 1 7 . 1 1 120 120 ALA CA C 155 53.148 53.148 54.609 -1.461 18179 4302 1 7 . 1 1 120 120 ALA CB C 155 18.782 18.782 18.531 0.251 18179 4303 1 7 . 1 1 120 120 ALA H H 155 7.697 7.697 8.159 -0.462 18179 4304 1 7 . 1 1 121 121 ASP N N 156 117.502 117.502 117.291 0.211 18179 4305 1 7 . 1 1 121 121 ASP HA H 156 5.154 5.154 4.565 0.589 18179 4306 1 7 . 1 1 121 121 ASP C C 156 176.756 176.756 177.650 -0.894 18179 4307 1 7 . 1 1 121 121 ASP CA C 156 54.742 54.742 56.248 -1.506 18179 4308 1 7 . 1 1 121 121 ASP CB C 156 42.326 42.326 39.839 2.487 18179 4309 1 7 . 1 1 121 121 ASP H H 156 8.493 8.493 8.907 -0.414 18179 4310 1 7 . 1 1 122 122 THR N N 157 111.372 111.372 112.617 -1.245 18179 4311 1 7 . 1 1 122 122 THR HA H 157 3.738 3.738 4.011 -0.273 18179 4312 1 7 . 1 1 122 122 THR C C 157 176.023 176.023 175.856 0.167 18179 4313 1 7 . 1 1 122 122 THR CA C 157 66.673 66.673 65.340 1.333 18179 4314 1 7 . 1 1 122 122 THR CB C 157 67.967 67.967 68.343 -0.376 18179 4315 1 7 . 1 1 122 122 THR H H 157 7.428 7.428 7.479 -0.051 18179 4316 1 7 . 1 1 123 123 ALA N N 158 123.853 123.853 124.311 -0.458 18179 4317 1 7 . 1 1 123 123 ALA HA H 158 4.133 4.133 4.072 0.061 18179 4318 1 7 . 1 1 123 123 ALA C C 158 179.987 179.987 179.596 0.391 18179 4319 1 7 . 1 1 123 123 ALA CA C 158 55.545 55.545 55.142 0.403 18179 4320 1 7 . 1 1 123 123 ALA CB C 158 17.458 17.458 17.966 -0.508 18179 4321 1 7 . 1 1 123 123 ALA H H 158 8.663 8.663 7.640 1.023 18179 4322 1 7 . 1 1 124 124 LEU N N 159 121.199 121.199 119.981 1.218 18179 4323 1 7 . 1 1 124 124 LEU HA H 159 4.229 4.229 3.954 0.275 18179 4324 1 7 . 1 1 124 124 LEU C C 159 178.342 178.342 178.754 -0.412 18179 4325 1 7 . 1 1 124 124 LEU CA C 159 57.329 57.329 57.533 -0.204 18179 4326 1 7 . 1 1 124 124 LEU CB C 159 41.956 41.956 41.899 0.057 18179 4327 1 7 . 1 1 124 124 LEU H H 159 7.444 7.444 7.689 -0.245 18179 4328 1 7 . 1 1 125 125 LEU N N 160 119.836 119.836 119.715 0.121 18179 4329 1 7 . 1 1 125 125 LEU HA H 160 3.963 3.963 3.912 0.051 18179 4330 1 7 . 1 1 125 125 LEU C C 160 178.168 178.168 179.315 -1.147 18179 4331 1 7 . 1 1 125 125 LEU CA C 160 58.475 58.475 58.007 0.468 18179 4332 1 7 . 1 1 125 125 LEU CB C 160 40.915 40.915 41.511 -0.596 18179 4333 1 7 . 1 1 125 125 LEU H H 160 8.430 8.430 7.499 0.931 18179 4334 1 7 . 1 1 126 126 LEU N N 161 120.046 120.046 119.131 0.915 18179 4335 1 7 . 1 1 126 126 LEU HA H 161 4.000 4.000 4.020 -0.020 18179 4336 1 7 . 1 1 126 126 LEU C C 161 178.848 178.848 179.535 -0.687 18179 4337 1 7 . 1 1 126 126 LEU CA C 161 58.524 58.524 57.412 1.112 18179 4338 1 7 . 1 1 126 126 LEU CB C 161 42.005 42.005 40.377 1.628 18179 4339 1 7 . 1 1 126 126 LEU H H 161 8.127 8.127 8.349 -0.222 18179 4340 1 7 . 1 1 127 127 ASP N N 162 119.057 119.057 119.399 -0.342 18179 4341 1 7 . 1 1 127 127 ASP HA H 162 4.267 4.267 4.398 -0.131 18179 4342 1 7 . 1 1 127 127 ASP C C 162 179.299 179.299 178.529 0.770 18179 4343 1 7 . 1 1 127 127 ASP CA C 162 57.699 57.699 57.163 0.536 18179 4344 1 7 . 1 1 127 127 ASP CB C 162 40.564 40.564 41.320 -0.756 18179 4345 1 7 . 1 1 127 127 ASP H H 162 7.872 7.872 8.315 -0.443 18179 4346 1 7 . 1 1 128 128 ASN N N 163 122.268 122.268 119.038 3.230 18179 4347 1 7 . 1 1 128 128 ASN HA H 163 4.423 4.423 4.499 -0.076 18179 4348 1 7 . 1 1 128 128 ASN C C 163 177.256 177.256 177.296 -0.040 18179 4349 1 7 . 1 1 128 128 ASN CA C 163 54.502 54.502 55.619 -1.117 18179 4350 1 7 . 1 1 128 128 ASN CB C 163 36.821 36.821 38.642 -1.821 18179 4351 1 7 . 1 1 128 128 ASN H H 163 8.711 8.711 8.373 0.338 18179 4352 1 7 . 1 1 129 129 MET N N 164 122.448 122.448 120.839 1.609 18179 4353 1 7 . 1 1 129 129 MET HA H 164 3.583 3.583 4.028 -0.445 18179 4354 1 7 . 1 1 129 129 MET C C 164 178.272 178.272 177.868 0.404 18179 4355 1 7 . 1 1 129 129 MET CA C 164 59.617 59.617 59.741 -0.124 18179 4356 1 7 . 1 1 129 129 MET CB C 164 34.481 34.481 32.578 1.903 18179 4357 1 7 . 1 1 129 129 MET H H 164 8.704 8.704 8.423 0.281 18179 4358 1 7 . 1 1 130 130 LYS N N 165 117.243 117.243 119.163 -1.920 18179 4359 1 7 . 1 1 130 130 LYS HA H 165 3.869 3.869 3.940 -0.071 18179 4360 1 7 . 1 1 130 130 LYS C C 165 180.050 180.050 178.978 1.072 18179 4361 1 7 . 1 1 130 130 LYS CA C 165 60.517 60.517 59.391 1.126 18179 4362 1 7 . 1 1 130 130 LYS CB C 165 31.836 31.836 32.212 -0.376 18179 4363 1 7 . 1 1 130 130 LYS H H 165 7.767 7.767 7.492 0.275 18179 4364 1 7 . 1 1 131 131 LYS N N 166 120.486 120.486 118.297 2.189 18179 4365 1 7 . 1 1 131 131 LYS HA H 166 3.853 3.853 4.068 -0.215 18179 4366 1 7 . 1 1 131 131 LYS C C 166 179.232 179.232 179.276 -0.044 18179 4367 1 7 . 1 1 131 131 LYS CA C 166 60.171 60.171 59.063 1.107 18179 4368 1 7 . 1 1 131 131 LYS CB C 166 32.783 32.783 32.594 0.189 18179 4369 1 7 . 1 1 131 131 LYS H H 166 7.914 7.914 7.487 0.427 18179 4370 1 7 . 1 1 132 132 ALA N N 167 122.426 122.426 122.602 -0.176 18179 4371 1 7 . 1 1 132 132 ALA HA H 167 3.625 3.625 2.794 0.831 18179 4372 1 7 . 1 1 132 132 ALA C C 167 177.616 177.616 178.078 -0.462 18179 4373 1 7 . 1 1 132 132 ALA CA C 167 54.246 54.246 54.185 0.061 18179 4374 1 7 . 1 1 132 132 ALA CB C 167 18.261 18.261 18.221 0.039 18179 4375 1 7 . 1 1 132 132 ALA H H 167 7.801 7.801 8.348 -0.547 18179 4376 1 7 . 1 1 133 133 LEU N N 168 113.735 113.735 114.271 -0.536 18179 4377 1 7 . 1 1 133 133 LEU HA H 168 3.747 3.747 3.971 -0.224 18179 4378 1 7 . 1 1 133 133 LEU C C 168 177.322 177.322 176.227 1.095 18179 4379 1 7 . 1 1 133 133 LEU CA C 168 55.892 55.892 55.730 0.162 18179 4380 1 7 . 1 1 133 133 LEU CB C 168 42.159 42.159 42.474 -0.315 18179 4381 1 7 . 1 1 133 133 LEU H H 168 7.010 7.010 7.178 -0.168 18179 4382 1 7 . 1 1 134 134 LYS N N 169 123.034 123.034 118.298 4.736 18179 4383 1 7 . 1 1 134 134 LYS HA H 169 4.331 4.331 4.404 -0.073 18179 4384 1 7 . 1 1 134 134 LYS C C 169 174.307 174.307 175.392 -1.085 18179 4385 1 7 . 1 1 134 134 LYS CA C 169 55.382 55.382 54.602 0.779 18179 4386 1 7 . 1 1 134 134 LYS CB C 169 29.718 29.718 33.961 -4.243 18179 4387 1 7 . 1 1 134 134 LYS H H 169 7.202 7.202 7.145 0.057 18179 4388 1 7 . 1 1 135 135 LEU N N 170 120.490 120.490 122.264 -1.774 18179 4389 1 7 . 1 1 135 135 LEU HA H 170 3.980 3.980 4.365 -0.385 18179 4390 1 7 . 1 1 135 135 LEU C C 170 178.427 178.427 176.558 1.869 18179 4391 1 7 . 1 1 135 135 LEU CA C 170 54.884 54.884 55.550 -0.666 18179 4392 1 7 . 1 1 135 135 LEU CB C 170 40.903 40.903 42.189 -1.286 18179 4393 1 7 . 1 1 135 135 LEU H H 170 7.334 7.334 8.167 -0.833 18179 4394 1 7 . 1 1 136 136 LEU N N 171 120.084 120.084 120.589 -0.505 18179 4395 1 7 . 1 1 136 136 LEU HA H 171 4.040 4.040 4.267 -0.227 18179 4396 1 7 . 1 1 136 136 LEU C C 171 178.231 178.231 177.522 0.709 18179 4397 1 7 . 1 1 136 136 LEU CA C 171 55.750 55.750 56.883 -1.133 18179 4398 1 7 . 1 1 136 136 LEU CB C 171 41.734 41.734 42.874 -1.140 18179 4399 1 7 . 1 1 136 136 LEU H H 171 8.614 8.614 9.438 -0.824 18179 4400 1 7 . 1 1 137 137 LYS N N 172 121.059 121.059 118.416 2.643 18179 4401 1 7 . 1 1 137 137 LYS HA H 172 4.333 4.333 4.478 -0.145 18179 4402 1 7 . 1 1 137 137 LYS C C 172 174.388 174.388 176.360 -1.972 18179 4403 1 7 . 1 1 137 137 LYS CA C 172 55.903 55.903 55.907 -0.004 18179 4404 1 7 . 1 1 137 137 LYS CB C 172 32.681 32.681 33.392 -0.711 18179 4405 1 7 . 1 1 137 137 LYS H H 172 8.468 8.468 7.941 0.527 18179 4406 1 7 . 1 1 138 138 THR N N 173 116.267 116.267 118.908 -2.641 18179 4407 1 7 . 1 1 138 138 THR HA H 173 4.261 4.261 4.274 -0.013 18179 4408 1 7 . 1 1 138 138 THR C C 173 174.267 174.267 175.004 -0.737 18179 4409 1 7 . 1 1 138 138 THR CA C 173 61.867 61.867 63.601 -1.734 18179 4410 1 7 . 1 1 138 138 THR CB C 173 69.848 69.848 69.147 0.701 18179 4411 1 7 . 1 1 138 138 THR H H 173 8.095 8.095 8.437 -0.342 18179 4412 1 7 . 1 1 139 139 GLU N N 174 123.648 123.648 123.451 0.197 18179 4413 1 7 . 1 1 139 139 GLU HA H 174 4.288 4.288 4.222 0.066 18179 4414 1 7 . 1 1 139 139 GLU C C 174 175.178 175.178 176.062 -0.884 18179 4415 1 7 . 1 1 139 139 GLU CA C 174 56.205 56.205 56.443 -0.238 18179 4416 1 7 . 1 1 139 139 GLU CB C 174 30.353 30.353 30.245 0.108 18179 4417 1 7 . 1 1 139 139 GLU H H 174 8.293 8.293 7.884 0.409 18179 4418 1 8 . 1 1 17 17 LEU N N 52 120.529 120.529 121.896 -1.367 18179 4419 1 8 . 1 1 17 17 LEU HA H 52 4.317 4.317 4.143 0.174 18179 4420 1 8 . 1 1 17 17 LEU CA C 52 53.456 53.456 55.179 -1.723 18179 4421 1 8 . 1 1 17 17 LEU CB C 52 42.494 42.494 42.190 0.304 18179 4422 1 8 . 1 1 17 17 LEU H H 52 7.103 7.103 8.028 -0.925 18179 4423 1 8 . 1 1 18 18 ILE CB C 53 36.458 36.458 40.079 -3.621 18179 4424 1 8 . 1 1 23 23 TYR HA H 58 4.359 4.359 4.127 0.232 18179 4425 1 8 . 1 1 23 23 TYR C C 58 176.387 176.387 176.969 -0.582 18179 4426 1 8 . 1 1 23 23 TYR CA C 58 59.597 59.597 61.874 -2.277 18179 4427 1 8 . 1 1 23 23 TYR CB C 58 38.572 38.572 38.874 -0.302 18179 4428 1 8 . 1 1 24 24 GLU N N 59 117.335 117.335 117.974 -0.639 18179 4429 1 8 . 1 1 24 24 GLU CA C 59 60.871 60.871 59.189 1.682 18179 4430 1 8 . 1 1 24 24 GLU CB C 59 28.494 28.494 29.185 -0.691 18179 4431 1 8 . 1 1 24 24 GLU H H 59 9.191 9.191 8.803 0.388 18179 4432 1 8 . 1 1 25 25 ALA N N 60 120.861 120.861 121.467 -0.606 18179 4433 1 8 . 1 1 25 25 ALA CA C 60 54.555 54.555 54.360 0.195 18179 4434 1 8 . 1 1 25 25 ALA CB C 60 18.528 18.528 18.265 0.263 18179 4435 1 8 . 1 1 25 25 ALA H H 60 7.688 7.688 7.625 0.064 18179 4436 1 8 . 1 1 26 26 ALA N N 61 123.402 123.402 122.627 0.775 18179 4437 1 8 . 1 1 26 26 ALA HA H 61 3.900 3.900 3.981 -0.081 18179 4438 1 8 . 1 1 26 26 ALA CA C 61 55.346 55.346 55.242 0.104 18179 4439 1 8 . 1 1 26 26 ALA CB C 61 19.104 19.104 18.328 0.776 18179 4440 1 8 . 1 1 26 26 ALA H H 61 8.225 8.225 8.048 0.177 18179 4441 1 8 . 1 1 27 27 LEU N N 62 118.742 118.742 117.831 0.911 18179 4442 1 8 . 1 1 27 27 LEU HA H 62 3.700 3.700 3.795 -0.095 18179 4443 1 8 . 1 1 27 27 LEU C C 62 171.911 171.911 179.222 -7.311 18179 4444 1 8 . 1 1 27 27 LEU CA C 62 57.654 57.654 57.831 -0.177 18179 4445 1 8 . 1 1 27 27 LEU CB C 62 41.905 41.905 41.278 0.627 18179 4446 1 8 . 1 1 27 27 LEU H H 62 8.336 8.336 7.679 0.657 18179 4447 1 8 . 1 1 28 28 TYR N N 63 117.594 117.594 118.444 -0.850 18179 4448 1 8 . 1 1 28 28 TYR HA H 63 4.007 4.007 4.014 -0.007 18179 4449 1 8 . 1 1 28 28 TYR C C 63 179.075 179.075 177.951 1.124 18179 4450 1 8 . 1 1 28 28 TYR CA C 63 61.769 61.769 62.018 -0.249 18179 4451 1 8 . 1 1 28 28 TYR CB C 63 38.071 38.071 37.853 0.218 18179 4452 1 8 . 1 1 28 28 TYR H H 63 7.279 7.279 7.411 -0.132 18179 4453 1 8 . 1 1 29 29 LYS N N 64 121.077 121.077 119.746 1.331 18179 4454 1 8 . 1 1 29 29 LYS HA H 64 3.663 3.663 4.043 -0.380 18179 4455 1 8 . 1 1 29 29 LYS C C 64 176.394 176.394 178.860 -2.466 18179 4456 1 8 . 1 1 29 29 LYS CA C 64 59.230 59.230 58.089 1.141 18179 4457 1 8 . 1 1 29 29 LYS CB C 64 32.573 32.573 31.857 0.716 18179 4458 1 8 . 1 1 29 29 LYS H H 64 8.472 8.472 8.153 0.319 18179 4459 1 8 . 1 1 30 30 SER N N 65 117.933 117.933 115.181 2.752 18179 4460 1 8 . 1 1 30 30 SER HA H 65 4.160 4.160 4.261 -0.101 18179 4461 1 8 . 1 1 30 30 SER C C 65 176.518 176.518 175.827 0.691 18179 4462 1 8 . 1 1 30 30 SER CA C 65 61.706 61.706 62.151 -0.445 18179 4463 1 8 . 1 1 30 30 SER CB C 65 64.022 64.022 63.045 0.977 18179 4464 1 8 . 1 1 30 30 SER H H 65 8.500 8.500 8.320 0.180 18179 4465 1 8 . 1 1 31 31 LYS N N 66 117.248 117.248 121.760 -4.512 18179 4466 1 8 . 1 1 31 31 LYS HA H 66 4.301 4.301 4.049 0.252 18179 4467 1 8 . 1 1 31 31 LYS C C 66 179.721 179.721 177.929 1.792 18179 4468 1 8 . 1 1 31 31 LYS CA C 66 59.165 59.165 59.031 0.134 18179 4469 1 8 . 1 1 31 31 LYS CB C 66 32.372 32.372 32.352 0.020 18179 4470 1 8 . 1 1 31 31 LYS H H 66 8.020 8.020 7.923 0.097 18179 4471 1 8 . 1 1 32 32 THR N N 67 109.772 109.772 109.487 0.285 18179 4472 1 8 . 1 1 32 32 THR HA H 67 3.883 3.883 4.338 -0.455 18179 4473 1 8 . 1 1 32 32 THR C C 67 176.237 176.237 175.699 0.538 18179 4474 1 8 . 1 1 32 32 THR CA C 67 64.813 64.813 63.945 0.868 18179 4475 1 8 . 1 1 32 32 THR CB C 67 69.445 69.445 68.944 0.501 18179 4476 1 8 . 1 1 32 32 THR H H 67 7.844 7.844 7.666 0.178 18179 4477 1 8 . 1 1 33 33 SER N N 68 115.610 115.610 116.416 -0.806 18179 4478 1 8 . 1 1 33 33 SER HA H 68 4.369 4.369 4.514 -0.145 18179 4479 1 8 . 1 1 33 33 SER C C 68 174.628 174.628 173.540 1.088 18179 4480 1 8 . 1 1 33 33 SER CA C 68 59.242 59.242 58.565 0.677 18179 4481 1 8 . 1 1 33 33 SER CB C 68 65.166 65.166 64.384 0.782 18179 4482 1 8 . 1 1 33 33 SER H H 68 8.047 8.047 7.310 0.737 18179 4483 1 8 . 1 1 34 34 ASN N N 69 110.215 110.215 116.114 -5.899 18179 4484 1 8 . 1 1 34 34 ASN HA H 69 4.181 4.181 4.309 -0.128 18179 4485 1 8 . 1 1 34 34 ASN C C 69 173.253 173.253 174.215 -0.962 18179 4486 1 8 . 1 1 34 34 ASN CA C 69 54.302 54.302 54.215 0.087 18179 4487 1 8 . 1 1 34 34 ASN CB C 69 38.506 38.506 36.124 2.382 18179 4488 1 8 . 1 1 34 34 ASN H H 69 8.061 8.061 8.141 -0.080 18179 4489 1 8 . 1 1 35 35 LYS N N 70 117.312 117.312 119.698 -2.386 18179 4490 1 8 . 1 1 35 35 LYS HA H 70 4.676 4.676 4.671 0.005 18179 4491 1 8 . 1 1 35 35 LYS CA C 70 53.385 53.385 52.029 1.356 18179 4492 1 8 . 1 1 35 35 LYS CB C 70 34.049 34.049 33.114 0.935 18179 4493 1 8 . 1 1 35 35 LYS H H 70 7.589 7.589 7.279 0.310 18179 4494 1 8 . 1 1 36 36 PRO HA H 71 4.371 4.371 4.287 0.084 18179 4495 1 8 . 1 1 36 36 PRO C C 71 172.189 172.189 176.301 -4.112 18179 4496 1 8 . 1 1 36 36 PRO CA C 71 62.356 62.356 63.179 -0.823 18179 4497 1 8 . 1 1 36 36 PRO CB C 71 31.785 31.785 32.205 -0.420 18179 4498 1 8 . 1 1 37 37 LEU N N 72 122.894 122.894 123.943 -1.049 18179 4499 1 8 . 1 1 37 37 LEU HA H 72 5.392 5.392 4.765 0.627 18179 4500 1 8 . 1 1 37 37 LEU C C 72 174.422 174.422 176.425 -2.003 18179 4501 1 8 . 1 1 37 37 LEU CA C 72 52.656 52.656 54.323 -1.667 18179 4502 1 8 . 1 1 37 37 LEU CB C 72 45.220 45.220 44.277 0.943 18179 4503 1 8 . 1 1 37 37 LEU H H 72 8.936 8.936 8.100 0.836 18179 4504 1 8 . 1 1 38 38 MET N N 73 128.922 128.922 122.391 6.531 18179 4505 1 8 . 1 1 38 38 MET C C 73 172.488 172.488 175.604 -3.116 18179 4506 1 8 . 1 1 38 38 MET CA C 73 54.806 54.806 54.755 0.051 18179 4507 1 8 . 1 1 38 38 MET CB C 73 35.127 35.127 34.042 1.085 18179 4508 1 8 . 1 1 38 38 MET H H 73 8.965 8.965 8.883 0.082 18179 4509 1 8 . 1 1 39 39 ILE N N 74 124.016 124.016 126.399 -2.383 18179 4510 1 8 . 1 1 39 39 ILE HA H 74 4.819 4.819 4.448 0.371 18179 4511 1 8 . 1 1 39 39 ILE C C 74 175.018 175.018 173.783 1.235 18179 4512 1 8 . 1 1 39 39 ILE CA C 74 59.688 59.688 60.593 -0.905 18179 4513 1 8 . 1 1 39 39 ILE CB C 74 40.407 40.407 38.958 1.449 18179 4514 1 8 . 1 1 39 39 ILE H H 74 8.727 8.727 8.987 -0.260 18179 4515 1 8 . 1 1 40 40 ILE N N 75 126.837 126.837 130.578 -3.741 18179 4516 1 8 . 1 1 40 40 ILE HA H 75 4.038 4.038 4.951 -0.913 18179 4517 1 8 . 1 1 40 40 ILE C C 75 175.282 175.282 175.125 0.157 18179 4518 1 8 . 1 1 40 40 ILE CA C 75 60.408 60.408 59.719 0.689 18179 4519 1 8 . 1 1 40 40 ILE CB C 75 40.028 40.028 38.110 1.918 18179 4520 1 8 . 1 1 40 40 ILE H H 75 8.587 8.587 8.207 0.380 18179 4521 1 8 . 1 1 41 41 HIS N N 76 128.633 128.633 127.448 1.185 18179 4522 1 8 . 1 1 41 41 HIS CA C 76 56.453 56.453 54.983 1.470 18179 4523 1 8 . 1 1 41 41 HIS CB C 76 29.368 29.368 32.595 -3.227 18179 4524 1 8 . 1 1 41 41 HIS H H 76 9.145 9.145 8.037 1.108 18179 4525 1 8 . 1 1 42 42 HIS HA H 77 4.822 4.822 5.002 -0.180 18179 4526 1 8 . 1 1 42 42 HIS C C 77 170.942 170.942 173.965 -3.023 18179 4527 1 8 . 1 1 42 42 HIS CA C 77 54.441 54.441 54.874 -0.433 18179 4528 1 8 . 1 1 42 42 HIS CB C 77 34.768 34.768 33.717 1.052 18179 4529 1 8 . 1 1 43 43 LEU N N 78 114.526 114.526 120.953 -6.427 18179 4530 1 8 . 1 1 43 43 LEU HA H 78 4.540 4.540 4.493 0.047 18179 4531 1 8 . 1 1 43 43 LEU C C 78 177.855 177.855 174.858 2.997 18179 4532 1 8 . 1 1 43 43 LEU CA C 78 54.020 54.020 54.210 -0.190 18179 4533 1 8 . 1 1 43 43 LEU CB C 78 46.643 46.643 46.713 -0.070 18179 4534 1 8 . 1 1 43 43 LEU H H 78 7.077 7.077 8.886 -1.809 18179 4535 1 8 . 1 1 44 44 ASP N N 79 123.675 123.675 121.022 2.653 18179 4536 1 8 . 1 1 44 44 ASP HA H 79 4.452 4.452 4.659 -0.207 18179 4537 1 8 . 1 1 44 44 ASP C C 79 177.872 177.872 177.213 0.659 18179 4538 1 8 . 1 1 44 44 ASP CA C 79 57.458 57.458 56.071 1.387 18179 4539 1 8 . 1 1 44 44 ASP CB C 79 40.739 40.739 41.365 -0.626 18179 4540 1 8 . 1 1 44 44 ASP H H 79 8.783 8.783 8.445 0.338 18179 4541 1 8 . 1 1 45 45 GLU N N 80 115.578 115.578 120.207 -4.629 18179 4542 1 8 . 1 1 45 45 GLU HA H 80 4.156 4.156 4.112 0.044 18179 4543 1 8 . 1 1 45 45 GLU C C 80 175.108 175.108 176.401 -1.293 18179 4544 1 8 . 1 1 45 45 GLU CA C 80 56.661 56.661 58.320 -1.659 18179 4545 1 8 . 1 1 45 45 GLU CB C 80 28.604 28.604 29.759 -1.155 18179 4546 1 8 . 1 1 45 45 GLU H H 80 9.146 9.146 8.341 0.805 18179 4547 1 8 . 1 1 46 46 CYS N N 81 125.642 125.642 115.808 9.834 18179 4548 1 8 . 1 1 46 46 CYS HA H 81 4.814 4.814 4.563 0.251 18179 4549 1 8 . 1 1 46 46 CYS C C 81 175.453 175.453 173.296 2.157 18179 4550 1 8 . 1 1 46 46 CYS CA C 81 56.298 56.298 54.693 1.605 18179 4551 1 8 . 1 1 46 46 CYS CB C 81 30.378 30.378 27.050 3.328 18179 4552 1 8 . 1 1 46 46 CYS H H 81 7.146 7.146 7.698 -0.552 18179 4553 1 8 . 1 1 47 47 PRO HA H 82 4.311 4.311 4.014 0.297 18179 4554 1 8 . 1 1 47 47 PRO CA C 82 64.536 64.536 63.654 0.882 18179 4555 1 8 . 1 1 47 47 PRO CB C 82 32.069 32.069 31.615 0.454 18179 4556 1 8 . 1 1 48 48 HIS N N 83 124.416 124.416 123.285 1.131 18179 4557 1 8 . 1 1 48 48 HIS HA H 83 4.511 4.511 4.352 0.159 18179 4558 1 8 . 1 1 48 48 HIS C C 83 178.820 178.820 177.272 1.548 18179 4559 1 8 . 1 1 48 48 HIS CA C 83 59.042 59.042 56.796 2.246 18179 4560 1 8 . 1 1 48 48 HIS CB C 83 28.921 28.921 29.746 -0.825 18179 4561 1 8 . 1 1 48 48 HIS H H 83 8.936 8.936 8.009 0.927 18179 4562 1 8 . 1 1 49 49 SER N N 84 129.973 129.973 119.882 10.091 18179 4563 1 8 . 1 1 49 49 SER HA H 84 4.152 4.152 4.018 0.134 18179 4564 1 8 . 1 1 49 49 SER C C 84 175.397 175.397 175.674 -0.277 18179 4565 1 8 . 1 1 49 49 SER CA C 84 63.873 63.873 61.304 2.569 18179 4566 1 8 . 1 1 49 49 SER CB C 84 65.516 65.516 62.656 2.860 18179 4567 1 8 . 1 1 49 49 SER H H 84 11.408 11.408 8.567 2.841 18179 4568 1 8 . 1 1 50 50 GLN N N 85 118.214 118.214 120.567 -2.353 18179 4569 1 8 . 1 1 50 50 GLN HA H 85 3.701 3.701 4.123 -0.422 18179 4570 1 8 . 1 1 50 50 GLN C C 85 178.213 178.213 177.745 0.468 18179 4571 1 8 . 1 1 50 50 GLN CA C 85 58.201 58.201 58.462 -0.261 18179 4572 1 8 . 1 1 50 50 GLN CB C 85 27.294 27.294 27.696 -0.402 18179 4573 1 8 . 1 1 50 50 GLN H H 85 8.192 8.192 8.123 0.069 18179 4574 1 8 . 1 1 51 51 ALA N N 86 121.790 121.790 122.996 -1.206 18179 4575 1 8 . 1 1 51 51 ALA HA H 86 4.099 4.099 4.053 0.046 18179 4576 1 8 . 1 1 51 51 ALA C C 86 180.512 180.512 179.428 1.084 18179 4577 1 8 . 1 1 51 51 ALA CA C 86 54.742 54.742 54.770 -0.028 18179 4578 1 8 . 1 1 51 51 ALA CB C 86 18.559 18.559 18.209 0.350 18179 4579 1 8 . 1 1 51 51 ALA H H 86 7.748 7.748 8.247 -0.499 18179 4580 1 8 . 1 1 52 52 LEU N N 87 118.528 118.528 118.432 0.096 18179 4581 1 8 . 1 1 52 52 LEU HA H 87 4.076 4.076 3.905 0.171 18179 4582 1 8 . 1 1 52 52 LEU CA C 87 57.266 57.266 56.509 0.757 18179 4583 1 8 . 1 1 52 52 LEU CB C 87 41.947 41.947 41.511 0.436 18179 4584 1 8 . 1 1 52 52 LEU H H 87 7.918 7.918 7.488 0.430 18179 4585 1 8 . 1 1 53 53 LYS N N 88 120.398 120.398 120.137 0.261 18179 4586 1 8 . 1 1 53 53 LYS H H 88 7.932 7.932 8.151 -0.219 18179 4587 1 8 . 1 1 54 54 LYS N N 89 115.219 115.219 119.656 -4.437 18179 4588 1 8 . 1 1 54 54 LYS HA H 89 3.790 3.790 4.049 -0.259 18179 4589 1 8 . 1 1 54 54 LYS C C 89 178.614 178.614 178.916 -0.302 18179 4590 1 8 . 1 1 54 54 LYS CA C 89 59.308 59.308 58.941 0.366 18179 4591 1 8 . 1 1 54 54 LYS CB C 89 32.530 32.530 31.808 0.721 18179 4592 1 8 . 1 1 54 54 LYS H H 89 6.889 6.889 8.128 -1.239 18179 4593 1 8 . 1 1 55 55 VAL N N 90 110.991 110.991 117.929 -6.938 18179 4594 1 8 . 1 1 55 55 VAL HA H 90 4.049 4.049 3.775 0.274 18179 4595 1 8 . 1 1 55 55 VAL C C 90 178.054 178.054 177.959 0.095 18179 4596 1 8 . 1 1 55 55 VAL CA C 90 64.467 64.467 65.542 -1.075 18179 4597 1 8 . 1 1 55 55 VAL CB C 90 31.625 31.625 31.419 0.206 18179 4598 1 8 . 1 1 55 55 VAL H H 90 6.748 6.748 6.972 -0.224 18179 4599 1 8 . 1 1 56 56 PHE N N 91 124.010 124.010 119.020 4.990 18179 4600 1 8 . 1 1 56 56 PHE HA H 91 3.829 3.829 4.154 -0.325 18179 4601 1 8 . 1 1 56 56 PHE C C 91 177.496 177.496 178.642 -1.146 18179 4602 1 8 . 1 1 56 56 PHE CA C 91 61.854 61.854 59.951 1.903 18179 4603 1 8 . 1 1 56 56 PHE CB C 91 41.828 41.828 37.327 4.501 18179 4604 1 8 . 1 1 56 56 PHE H H 91 8.722 8.722 7.763 0.959 18179 4605 1 8 . 1 1 57 57 ALA N N 92 118.444 118.444 117.324 1.120 18179 4606 1 8 . 1 1 57 57 ALA HA H 92 4.185 4.185 4.316 -0.131 18179 4607 1 8 . 1 1 57 57 ALA C C 92 180.660 180.660 177.823 2.837 18179 4608 1 8 . 1 1 57 57 ALA CA C 92 54.288 54.288 53.350 0.938 18179 4609 1 8 . 1 1 57 57 ALA CB C 92 18.487 18.487 18.550 -0.063 18179 4610 1 8 . 1 1 57 57 ALA H H 92 8.695 8.695 8.004 0.691 18179 4611 1 8 . 1 1 58 58 GLU N N 93 112.263 112.263 117.828 -5.565 18179 4612 1 8 . 1 1 58 58 GLU HA H 93 4.156 4.156 4.289 -0.133 18179 4613 1 8 . 1 1 58 58 GLU C C 93 175.641 175.641 176.102 -0.461 18179 4614 1 8 . 1 1 58 58 GLU CA C 93 55.883 55.883 57.177 -1.294 18179 4615 1 8 . 1 1 58 58 GLU CB C 93 30.495 30.495 30.535 -0.039 18179 4616 1 8 . 1 1 58 58 GLU H H 93 7.108 7.108 7.888 -0.780 18179 4617 1 8 . 1 1 59 59 ASN N N 94 120.422 120.422 117.292 3.130 18179 4618 1 8 . 1 1 59 59 ASN HA H 94 4.590 4.590 4.904 -0.314 18179 4619 1 8 . 1 1 59 59 ASN C C 94 174.151 174.151 175.850 -1.699 18179 4620 1 8 . 1 1 59 59 ASN CA C 94 54.056 54.056 52.163 1.893 18179 4621 1 8 . 1 1 59 59 ASN CB C 94 38.723 38.723 40.302 -1.579 18179 4622 1 8 . 1 1 59 59 ASN H H 94 7.269 7.269 7.620 -0.351 18179 4623 1 8 . 1 1 60 60 LYS N N 95 127.497 127.497 125.069 2.428 18179 4624 1 8 . 1 1 60 60 LYS HA H 95 3.770 3.770 3.873 -0.103 18179 4625 1 8 . 1 1 60 60 LYS C C 95 178.959 178.959 177.964 0.995 18179 4626 1 8 . 1 1 60 60 LYS CA C 95 59.337 59.337 60.002 -0.665 18179 4627 1 8 . 1 1 60 60 LYS CB C 95 32.170 32.170 31.802 0.368 18179 4628 1 8 . 1 1 60 60 LYS H H 95 8.672 8.672 8.909 -0.237 18179 4629 1 8 . 1 1 61 61 GLU N N 96 119.409 119.409 120.541 -1.132 18179 4630 1 8 . 1 1 61 61 GLU HA H 96 3.984 3.984 4.127 -0.143 18179 4631 1 8 . 1 1 61 61 GLU C C 96 179.574 179.574 179.052 0.522 18179 4632 1 8 . 1 1 61 61 GLU CA C 96 59.955 59.955 58.684 1.271 18179 4633 1 8 . 1 1 61 61 GLU CB C 96 29.246 29.246 28.956 0.290 18179 4634 1 8 . 1 1 61 61 GLU H H 96 7.988 7.988 8.182 -0.194 18179 4635 1 8 . 1 1 62 62 ILE N N 97 122.621 122.621 121.346 1.275 18179 4636 1 8 . 1 1 62 62 ILE HA H 97 3.224 3.224 3.760 -0.536 18179 4637 1 8 . 1 1 62 62 ILE C C 97 177.158 177.158 177.899 -0.741 18179 4638 1 8 . 1 1 62 62 ILE CA C 97 65.787 65.787 64.869 0.918 18179 4639 1 8 . 1 1 62 62 ILE CB C 97 37.710 37.710 38.370 -0.660 18179 4640 1 8 . 1 1 62 62 ILE H H 97 8.484 8.484 8.987 -0.503 18179 4641 1 8 . 1 1 63 63 GLN N N 98 115.619 115.619 120.135 -4.516 18179 4642 1 8 . 1 1 63 63 GLN HA H 98 3.481 3.481 3.918 -0.437 18179 4643 1 8 . 1 1 63 63 GLN C C 98 178.097 178.097 178.184 -0.087 18179 4644 1 8 . 1 1 63 63 GLN CA C 98 58.601 58.601 59.563 -0.962 18179 4645 1 8 . 1 1 63 63 GLN CB C 98 28.834 28.834 28.713 0.121 18179 4646 1 8 . 1 1 63 63 GLN H H 98 8.046 8.046 8.042 0.004 18179 4647 1 8 . 1 1 64 64 LYS N N 99 116.464 116.464 119.923 -3.459 18179 4648 1 8 . 1 1 64 64 LYS HA H 99 4.125 4.125 4.107 0.018 18179 4649 1 8 . 1 1 64 64 LYS C C 99 179.740 179.740 178.983 0.757 18179 4650 1 8 . 1 1 64 64 LYS CA C 99 57.955 57.955 58.538 -0.583 18179 4651 1 8 . 1 1 64 64 LYS CB C 99 32.054 32.054 31.890 0.164 18179 4652 1 8 . 1 1 64 64 LYS H H 99 7.578 7.578 8.219 -0.641 18179 4653 1 8 . 1 1 65 65 LEU N N 100 122.576 122.576 119.002 3.574 18179 4654 1 8 . 1 1 65 65 LEU HA H 100 4.128 4.128 4.162 -0.034 18179 4655 1 8 . 1 1 65 65 LEU C C 100 178.481 178.481 178.310 0.171 18179 4656 1 8 . 1 1 65 65 LEU CA C 100 57.044 57.044 57.177 -0.133 18179 4657 1 8 . 1 1 65 65 LEU CB C 100 41.883 41.883 41.067 0.816 18179 4658 1 8 . 1 1 65 65 LEU H H 100 7.916 7.916 7.346 0.570 18179 4659 1 8 . 1 1 66 66 ALA N N 101 119.534 119.534 120.320 -0.786 18179 4660 1 8 . 1 1 66 66 ALA HA H 101 3.810 3.810 4.098 -0.288 18179 4661 1 8 . 1 1 66 66 ALA C C 101 177.520 177.520 179.863 -2.343 18179 4662 1 8 . 1 1 66 66 ALA CA C 101 54.772 54.772 54.255 0.517 18179 4663 1 8 . 1 1 66 66 ALA CB C 101 17.737 17.737 18.529 -0.792 18179 4664 1 8 . 1 1 66 66 ALA H H 101 8.511 8.511 7.469 1.042 18179 4665 1 8 . 1 1 67 67 GLU N N 102 113.081 113.081 119.032 -5.951 18179 4666 1 8 . 1 1 67 67 GLU HA H 102 4.113 4.113 4.093 0.020 18179 4667 1 8 . 1 1 67 67 GLU C C 102 178.295 178.295 178.075 0.220 18179 4668 1 8 . 1 1 67 67 GLU CA C 102 58.285 58.285 58.838 -0.553 18179 4669 1 8 . 1 1 67 67 GLU CB C 102 29.952 29.952 29.690 0.262 18179 4670 1 8 . 1 1 67 67 GLU H H 102 7.039 7.039 8.497 -1.458 18179 4671 1 8 . 1 1 68 68 GLN N N 103 116.244 116.244 117.116 -0.872 18179 4672 1 8 . 1 1 68 68 GLN HA H 103 4.107 4.107 4.397 -0.290 18179 4673 1 8 . 1 1 68 68 GLN C C 103 173.173 173.173 175.675 -2.502 18179 4674 1 8 . 1 1 68 68 GLN CA C 103 56.094 56.094 55.841 0.253 18179 4675 1 8 . 1 1 68 68 GLN CB C 103 28.703 28.703 29.534 -0.831 18179 4676 1 8 . 1 1 68 68 GLN H H 103 8.167 8.167 7.752 0.415 18179 4677 1 8 . 1 1 69 69 PHE N N 104 116.822 116.822 117.319 -0.497 18179 4678 1 8 . 1 1 69 69 PHE HA H 104 4.645 4.645 4.635 0.010 18179 4679 1 8 . 1 1 69 69 PHE C C 104 177.346 177.346 174.936 2.410 18179 4680 1 8 . 1 1 69 69 PHE CA C 104 57.254 57.254 56.686 0.568 18179 4681 1 8 . 1 1 69 69 PHE CB C 104 40.897 40.897 42.335 -1.438 18179 4682 1 8 . 1 1 69 69 PHE H H 104 7.633 7.633 7.636 -0.003 18179 4683 1 8 . 1 1 70 70 VAL N N 105 120.799 120.799 119.193 1.606 18179 4684 1 8 . 1 1 70 70 VAL HA H 105 3.867 3.867 4.828 -0.961 18179 4685 1 8 . 1 1 70 70 VAL C C 105 174.191 174.191 176.167 -1.976 18179 4686 1 8 . 1 1 70 70 VAL CA C 105 63.450 63.450 62.658 0.792 18179 4687 1 8 . 1 1 70 70 VAL CB C 105 31.566 31.566 32.256 -0.690 18179 4688 1 8 . 1 1 70 70 VAL H H 105 8.943 8.943 8.583 0.360 18179 4689 1 8 . 1 1 71 71 LEU N N 106 129.105 129.105 126.715 2.390 18179 4690 1 8 . 1 1 71 71 LEU HA H 106 4.850 4.850 4.625 0.225 18179 4691 1 8 . 1 1 71 71 LEU CA C 106 53.854 53.854 53.879 -0.025 18179 4692 1 8 . 1 1 71 71 LEU CB C 106 44.478 44.478 44.344 0.134 18179 4693 1 8 . 1 1 71 71 LEU H H 106 8.432 8.432 8.190 0.242 18179 4694 1 8 . 1 1 72 72 LEU N N 107 123.682 123.682 124.789 -1.107 18179 4695 1 8 . 1 1 72 72 LEU H H 107 8.298 8.298 8.399 -0.101 18179 4696 1 8 . 1 1 73 73 ASN N N 108 125.520 125.520 122.703 2.817 18179 4697 1 8 . 1 1 73 73 ASN CA C 108 51.631 51.631 52.665 -1.034 18179 4698 1 8 . 1 1 73 73 ASN CB C 108 41.484 41.484 37.131 4.353 18179 4699 1 8 . 1 1 73 73 ASN H H 108 9.761 9.761 8.592 1.169 18179 4700 1 8 . 1 1 74 74 LEU N N 109 122.070 122.070 121.824 0.246 18179 4701 1 8 . 1 1 74 74 LEU H H 109 8.563 8.563 7.612 0.951 18179 4702 1 8 . 1 1 75 75 VAL HA H 110 5.100 5.100 4.483 0.617 18179 4703 1 8 . 1 1 75 75 VAL CA C 110 59.157 59.157 63.548 -4.391 18179 4704 1 8 . 1 1 76 76 TYR N N 111 120.641 120.641 119.535 1.106 18179 4705 1 8 . 1 1 76 76 TYR HA H 111 4.569 4.569 4.834 -0.265 18179 4706 1 8 . 1 1 76 76 TYR C C 111 175.393 175.393 175.453 -0.060 18179 4707 1 8 . 1 1 76 76 TYR CA C 111 57.736 57.736 57.478 0.258 18179 4708 1 8 . 1 1 76 76 TYR CB C 111 39.426 39.426 38.424 1.002 18179 4709 1 8 . 1 1 76 76 TYR H H 111 8.255 8.255 7.741 0.514 18179 4710 1 8 . 1 1 79 79 THR HA H 114 4.180 4.180 4.361 -0.181 18179 4711 1 8 . 1 1 79 79 THR CA C 114 61.295 61.295 61.316 -0.021 18179 4712 1 8 . 1 1 79 79 THR CB C 114 68.683 68.683 68.730 -0.047 18179 4713 1 8 . 1 1 80 80 ASP N N 115 121.026 121.026 125.544 -4.518 18179 4714 1 8 . 1 1 80 80 ASP C C 115 177.959 177.959 176.543 1.416 18179 4715 1 8 . 1 1 80 80 ASP CA C 115 53.276 53.276 54.313 -1.037 18179 4716 1 8 . 1 1 80 80 ASP H H 115 7.746 7.746 8.184 -0.438 18179 4717 1 8 . 1 1 81 81 LYS N N 116 129.056 129.056 126.225 2.831 18179 4718 1 8 . 1 1 81 81 LYS HA H 116 3.828 3.828 4.133 -0.305 18179 4719 1 8 . 1 1 81 81 LYS C C 116 179.118 179.118 177.463 1.655 18179 4720 1 8 . 1 1 81 81 LYS CA C 116 57.957 57.957 57.547 0.410 18179 4721 1 8 . 1 1 81 81 LYS CB C 116 31.273 31.273 32.633 -1.360 18179 4722 1 8 . 1 1 81 81 LYS H H 116 8.873 8.873 8.437 0.436 18179 4723 1 8 . 1 1 82 82 HIS N N 117 116.887 116.887 119.013 -2.126 18179 4724 1 8 . 1 1 82 82 HIS HA H 117 4.290 4.290 4.364 -0.074 18179 4725 1 8 . 1 1 82 82 HIS C C 117 175.622 175.622 176.865 -1.243 18179 4726 1 8 . 1 1 82 82 HIS CA C 117 57.865 57.865 58.970 -1.105 18179 4727 1 8 . 1 1 82 82 HIS CB C 117 27.704 27.704 29.999 -2.295 18179 4728 1 8 . 1 1 82 82 HIS H H 117 8.707 8.707 7.971 0.736 18179 4729 1 8 . 1 1 83 83 LEU N N 118 113.733 113.733 120.429 -6.696 18179 4730 1 8 . 1 1 83 83 LEU HA H 118 4.290 4.290 4.205 0.085 18179 4731 1 8 . 1 1 83 83 LEU C C 118 175.949 175.949 176.067 -0.118 18179 4732 1 8 . 1 1 83 83 LEU CA C 118 53.982 53.982 56.440 -2.458 18179 4733 1 8 . 1 1 83 83 LEU CB C 118 41.734 41.734 43.446 -1.712 18179 4734 1 8 . 1 1 83 83 LEU H H 118 7.332 7.332 8.474 -1.142 18179 4735 1 8 . 1 1 84 84 SER N N 119 111.979 111.979 108.779 3.200 18179 4736 1 8 . 1 1 84 84 SER HA H 119 4.632 4.632 4.566 0.066 18179 4737 1 8 . 1 1 84 84 SER C C 119 173.830 173.830 172.435 1.395 18179 4738 1 8 . 1 1 84 84 SER CA C 119 55.581 55.581 56.934 -1.353 18179 4739 1 8 . 1 1 84 84 SER CB C 119 62.367 62.367 62.337 0.031 18179 4740 1 8 . 1 1 84 84 SER H H 119 7.268 7.268 7.648 -0.380 18179 4741 1 8 . 1 1 85 85 PRO HA H 120 4.384 4.384 4.833 -0.449 18179 4742 1 8 . 1 1 85 85 PRO C C 120 177.881 177.881 176.096 1.785 18179 4743 1 8 . 1 1 85 85 PRO CA C 120 65.292 65.292 63.856 1.436 18179 4744 1 8 . 1 1 85 85 PRO CB C 120 31.942 31.942 31.843 0.099 18179 4745 1 8 . 1 1 86 86 ASP N N 121 117.614 117.614 115.537 2.077 18179 4746 1 8 . 1 1 86 86 ASP HA H 121 4.960 4.960 4.827 0.133 18179 4747 1 8 . 1 1 86 86 ASP C C 121 174.734 174.734 176.472 -1.738 18179 4748 1 8 . 1 1 86 86 ASP CA C 121 51.999 51.999 55.451 -3.452 18179 4749 1 8 . 1 1 86 86 ASP CB C 121 40.327 40.327 40.771 -0.444 18179 4750 1 8 . 1 1 86 86 ASP H H 121 8.882 8.882 8.322 0.560 18179 4751 1 8 . 1 1 87 87 GLY N N 122 106.815 106.815 106.018 0.797 18179 4752 1 8 . 1 1 87 87 GLY C C 122 173.401 173.401 174.152 -0.751 18179 4753 1 8 . 1 1 87 87 GLY CA C 122 43.814 43.814 45.050 -1.236 18179 4754 1 8 . 1 1 87 87 GLY H H 122 6.973 6.973 7.579 -0.606 18179 4755 1 8 . 1 1 88 88 GLN N N 123 118.319 118.319 116.867 1.452 18179 4756 1 8 . 1 1 88 88 GLN HA H 123 3.984 3.984 4.339 -0.355 18179 4757 1 8 . 1 1 88 88 GLN C C 123 174.141 174.141 174.988 -0.847 18179 4758 1 8 . 1 1 88 88 GLN CA C 123 54.717 54.717 54.752 -0.035 18179 4759 1 8 . 1 1 88 88 GLN CB C 123 27.267 27.267 28.017 -0.750 18179 4760 1 8 . 1 1 88 88 GLN H H 123 8.224 8.224 8.080 0.144 18179 4761 1 8 . 1 1 89 89 TYR N N 124 117.220 117.220 120.671 -3.451 18179 4762 1 8 . 1 1 89 89 TYR HA H 124 4.596 4.596 4.347 0.249 18179 4763 1 8 . 1 1 89 89 TYR C C 124 173.402 173.402 176.116 -2.714 18179 4764 1 8 . 1 1 89 89 TYR CA C 124 54.672 54.672 58.641 -3.969 18179 4765 1 8 . 1 1 89 89 TYR CB C 124 38.970 38.970 38.510 0.461 18179 4766 1 8 . 1 1 89 89 TYR H H 124 5.954 5.954 7.814 -1.860 18179 4767 1 8 . 1 1 90 90 VAL N N 125 109.249 109.249 126.589 -17.340 18179 4768 1 8 . 1 1 90 90 VAL HA H 125 4.572 4.572 3.635 0.937 18179 4769 1 8 . 1 1 90 90 VAL C C 125 173.254 173.254 174.764 -1.510 18179 4770 1 8 . 1 1 90 90 VAL CA C 125 57.982 57.982 62.753 -4.771 18179 4771 1 8 . 1 1 90 90 VAL CB C 125 35.376 35.376 32.139 3.237 18179 4772 1 8 . 1 1 90 90 VAL H H 125 8.303 8.303 8.338 -0.035 18179 4773 1 8 . 1 1 92 92 ARG HA H 127 5.178 5.178 4.052 1.126 18179 4774 1 8 . 1 1 92 92 ARG CA C 127 55.689 55.689 56.681 -0.992 18179 4775 1 8 . 1 1 93 93 ILE N N 128 127.696 127.696 119.169 8.527 18179 4776 1 8 . 1 1 93 93 ILE HA H 128 5.088 5.088 4.289 0.799 18179 4777 1 8 . 1 1 93 93 ILE CA C 128 61.063 61.063 60.566 0.497 18179 4778 1 8 . 1 1 93 93 ILE CB C 128 39.101 39.101 38.296 0.805 18179 4779 1 8 . 1 1 93 93 ILE H H 128 9.099 9.099 8.500 0.599 18179 4780 1 8 . 1 1 94 94 MET N N 129 122.683 122.683 127.600 -4.917 18179 4781 1 8 . 1 1 94 94 MET C C 129 174.006 174.006 173.971 0.035 18179 4782 1 8 . 1 1 94 94 MET CA C 129 51.503 51.503 52.342 -0.839 18179 4783 1 8 . 1 1 94 94 MET CB C 129 34.764 34.764 37.136 -2.372 18179 4784 1 8 . 1 1 94 94 MET H H 129 8.496 8.496 8.577 -0.081 18179 4785 1 8 . 1 1 95 95 PHE N N 130 118.014 118.014 118.279 -0.265 18179 4786 1 8 . 1 1 95 95 PHE HA H 130 5.589 5.589 5.578 0.011 18179 4787 1 8 . 1 1 95 95 PHE C C 130 174.811 174.811 173.872 0.939 18179 4788 1 8 . 1 1 95 95 PHE CA C 130 56.432 56.432 55.465 0.967 18179 4789 1 8 . 1 1 95 95 PHE CB C 130 41.941 41.941 41.636 0.305 18179 4790 1 8 . 1 1 95 95 PHE H H 130 8.573 8.573 7.386 1.187 18179 4791 1 8 . 1 1 96 96 VAL N N 131 122.847 122.847 119.909 2.938 18179 4792 1 8 . 1 1 96 96 VAL HA H 131 4.337 4.337 4.490 -0.153 18179 4793 1 8 . 1 1 96 96 VAL C C 131 174.303 174.303 173.406 0.897 18179 4794 1 8 . 1 1 96 96 VAL CA C 131 61.405 61.405 61.156 0.249 18179 4795 1 8 . 1 1 96 96 VAL CB C 131 34.679 34.679 35.826 -1.147 18179 4796 1 8 . 1 1 96 96 VAL H H 131 9.855 9.855 9.067 0.788 18179 4797 1 8 . 1 1 97 97 ASP N N 132 128.042 128.042 123.005 5.037 18179 4798 1 8 . 1 1 97 97 ASP HA H 132 4.883 4.883 5.113 -0.230 18179 4799 1 8 . 1 1 97 97 ASP C C 132 174.958 174.958 174.178 0.780 18179 4800 1 8 . 1 1 97 97 ASP CA C 132 53.082 53.082 51.603 1.479 18179 4801 1 8 . 1 1 97 97 ASP CB C 132 45.484 45.484 44.578 0.906 18179 4802 1 8 . 1 1 97 97 ASP H H 132 8.399 8.399 8.362 0.037 18179 4803 1 8 . 1 1 98 98 PRO HA H 133 4.566 4.566 4.381 0.185 18179 4804 1 8 . 1 1 98 98 PRO C C 133 175.650 175.650 177.270 -1.620 18179 4805 1 8 . 1 1 98 98 PRO CA C 133 65.207 65.207 65.168 0.039 18179 4806 1 8 . 1 1 98 98 PRO CB C 133 31.858 31.858 32.290 -0.432 18179 4807 1 8 . 1 1 99 99 SER N N 134 111.171 111.171 112.255 -1.084 18179 4808 1 8 . 1 1 99 99 SER HA H 134 4.122 4.122 4.395 -0.273 18179 4809 1 8 . 1 1 99 99 SER C C 134 175.303 175.303 176.039 -0.736 18179 4810 1 8 . 1 1 99 99 SER CA C 134 60.237 60.237 60.311 -0.074 18179 4811 1 8 . 1 1 99 99 SER CB C 134 64.471 64.471 63.842 0.630 18179 4812 1 8 . 1 1 99 99 SER H H 134 8.154 8.154 8.337 -0.183 18179 4813 1 8 . 1 1 100 100 LEU N N 135 118.112 118.112 120.146 -2.034 18179 4814 1 8 . 1 1 100 100 LEU HA H 135 3.683 3.683 4.331 -0.648 18179 4815 1 8 . 1 1 100 100 LEU C C 135 175.886 175.886 176.025 -0.139 18179 4816 1 8 . 1 1 100 100 LEU CA C 135 56.548 56.548 55.789 0.759 18179 4817 1 8 . 1 1 100 100 LEU CB C 135 36.922 36.922 42.560 -5.638 18179 4818 1 8 . 1 1 100 100 LEU H H 135 9.194 9.194 8.994 0.200 18179 4819 1 8 . 1 1 101 101 THR N N 136 116.048 116.048 108.162 7.886 18179 4820 1 8 . 1 1 101 101 THR HA H 136 4.191 4.191 4.128 0.063 18179 4821 1 8 . 1 1 101 101 THR C C 136 173.771 173.771 173.462 0.309 18179 4822 1 8 . 1 1 101 101 THR CA C 136 62.123 62.123 62.115 0.008 18179 4823 1 8 . 1 1 101 101 THR CB C 136 70.407 70.407 68.781 1.626 18179 4824 1 8 . 1 1 101 101 THR H H 136 7.022 7.022 7.514 -0.492 18179 4825 1 8 . 1 1 102 102 VAL N N 137 129.098 129.098 120.504 8.594 18179 4826 1 8 . 1 1 102 102 VAL HA H 137 3.874 3.874 4.384 -0.510 18179 4827 1 8 . 1 1 102 102 VAL C C 137 177.079 177.079 175.679 1.400 18179 4828 1 8 . 1 1 102 102 VAL CA C 137 64.163 64.163 61.322 2.841 18179 4829 1 8 . 1 1 102 102 VAL CB C 137 31.858 31.858 32.991 -1.133 18179 4830 1 8 . 1 1 102 102 VAL H H 137 9.039 9.039 8.215 0.824 18179 4831 1 8 . 1 1 103 103 ARG N N 138 128.421 128.421 123.331 5.090 18179 4832 1 8 . 1 1 103 103 ARG HA H 138 4.724 4.724 4.552 0.172 18179 4833 1 8 . 1 1 103 103 ARG C C 138 177.315 177.315 175.380 1.935 18179 4834 1 8 . 1 1 103 103 ARG CA C 138 50.845 50.845 54.589 -3.744 18179 4835 1 8 . 1 1 103 103 ARG CB C 138 25.210 25.210 31.122 -5.912 18179 4836 1 8 . 1 1 103 103 ARG H H 138 9.355 9.355 8.704 0.651 18179 4837 1 8 . 1 1 104 104 ALA N N 139 130.638 130.638 127.131 3.507 18179 4838 1 8 . 1 1 104 104 ALA HA H 139 4.128 4.128 4.388 -0.260 18179 4839 1 8 . 1 1 104 104 ALA C C 139 170.819 170.819 176.770 -5.951 18179 4840 1 8 . 1 1 104 104 ALA CA C 139 53.517 53.517 52.191 1.326 18179 4841 1 8 . 1 1 104 104 ALA CB C 139 18.047 18.047 20.009 -1.962 18179 4842 1 8 . 1 1 104 104 ALA H H 139 8.340 8.340 8.515 -0.175 18179 4843 1 8 . 1 1 105 105 ASP N N 140 113.599 113.599 121.702 -8.103 18179 4844 1 8 . 1 1 105 105 ASP HA H 140 4.356 4.356 4.612 -0.256 18179 4845 1 8 . 1 1 105 105 ASP C C 140 175.173 175.173 174.889 0.284 18179 4846 1 8 . 1 1 105 105 ASP CA C 140 54.097 54.097 53.658 0.439 18179 4847 1 8 . 1 1 105 105 ASP CB C 140 39.219 39.219 41.497 -2.278 18179 4848 1 8 . 1 1 105 105 ASP H H 140 9.653 9.653 8.308 1.345 18179 4849 1 8 . 1 1 106 106 ILE N N 141 122.867 122.867 119.045 3.822 18179 4850 1 8 . 1 1 106 106 ILE HA H 141 4.332 4.332 3.878 0.454 18179 4851 1 8 . 1 1 106 106 ILE C C 141 174.778 174.778 174.950 -0.172 18179 4852 1 8 . 1 1 106 106 ILE CA C 141 62.464 62.464 62.301 0.163 18179 4853 1 8 . 1 1 106 106 ILE CB C 141 36.210 36.210 38.004 -1.794 18179 4854 1 8 . 1 1 106 106 ILE H H 141 7.541 7.541 8.485 -0.944 18179 4855 1 8 . 1 1 107 107 THR N N 142 117.525 117.525 119.113 -1.588 18179 4856 1 8 . 1 1 107 107 THR HA H 142 4.721 4.721 4.560 0.161 18179 4857 1 8 . 1 1 107 107 THR C C 142 175.898 175.898 174.468 1.430 18179 4858 1 8 . 1 1 107 107 THR CA C 142 59.199 59.199 60.606 -1.407 18179 4859 1 8 . 1 1 107 107 THR CB C 142 71.817 71.817 70.710 1.107 18179 4860 1 8 . 1 1 107 107 THR H H 142 7.816 7.816 8.210 -0.394 18179 4861 1 8 . 1 1 108 108 GLY N N 143 109.853 109.853 108.597 1.256 18179 4862 1 8 . 1 1 108 108 GLY C C 143 174.389 174.389 173.563 0.826 18179 4863 1 8 . 1 1 108 108 GLY CA C 143 44.291 44.291 44.454 -0.163 18179 4864 1 8 . 1 1 108 108 GLY H H 143 8.891 8.891 8.041 0.850 18179 4865 1 8 . 1 1 109 109 ARG N N 144 116.076 116.076 119.641 -3.565 18179 4866 1 8 . 1 1 109 109 ARG HA H 144 4.006 4.006 4.118 -0.112 18179 4867 1 8 . 1 1 109 109 ARG C C 144 176.521 176.521 176.263 0.258 18179 4868 1 8 . 1 1 109 109 ARG CA C 144 55.989 55.989 57.153 -1.164 18179 4869 1 8 . 1 1 109 109 ARG CB C 144 30.851 30.851 30.625 0.226 18179 4870 1 8 . 1 1 109 109 ARG H H 144 8.108 8.108 8.595 -0.487 18179 4871 1 8 . 1 1 110 110 TYR N N 145 123.010 123.010 117.583 5.427 18179 4872 1 8 . 1 1 110 110 TYR HA H 145 4.506 4.506 4.654 -0.148 18179 4873 1 8 . 1 1 110 110 TYR C C 145 178.395 178.395 174.876 3.519 18179 4874 1 8 . 1 1 110 110 TYR CA C 145 57.217 57.217 57.012 0.205 18179 4875 1 8 . 1 1 110 110 TYR CB C 145 37.232 37.232 40.485 -3.253 18179 4876 1 8 . 1 1 110 110 TYR H H 145 8.825 8.825 7.894 0.931 18179 4877 1 8 . 1 1 111 111 SER N N 146 120.152 120.152 115.178 4.974 18179 4878 1 8 . 1 1 111 111 SER HA H 146 3.948 3.948 4.533 -0.585 18179 4879 1 8 . 1 1 111 111 SER C C 146 174.939 174.939 174.808 0.131 18179 4880 1 8 . 1 1 111 111 SER CA C 146 60.850 60.850 58.687 2.163 18179 4881 1 8 . 1 1 111 111 SER CB C 146 62.776 62.776 63.563 -0.787 18179 4882 1 8 . 1 1 111 111 SER H H 146 8.616 8.616 8.725 -0.109 18179 4883 1 8 . 1 1 112 112 ASN N N 147 116.146 116.146 118.743 -2.597 18179 4884 1 8 . 1 1 112 112 ASN HA H 147 4.558 4.558 4.664 -0.106 18179 4885 1 8 . 1 1 112 112 ASN C C 147 173.693 173.693 175.697 -2.004 18179 4886 1 8 . 1 1 112 112 ASN CA C 147 53.209 53.209 53.810 -0.601 18179 4887 1 8 . 1 1 112 112 ASN CB C 147 37.534 37.534 38.327 -0.793 18179 4888 1 8 . 1 1 112 112 ASN H H 147 8.374 8.374 8.203 0.171 18179 4889 1 8 . 1 1 113 113 ARG N N 148 121.673 121.673 120.971 0.702 18179 4890 1 8 . 1 1 113 113 ARG HA H 148 4.226 4.226 4.506 -0.280 18179 4891 1 8 . 1 1 113 113 ARG C C 148 176.358 176.358 174.960 1.398 18179 4892 1 8 . 1 1 113 113 ARG CA C 148 55.251 55.251 55.188 0.063 18179 4893 1 8 . 1 1 113 113 ARG CB C 148 30.973 30.973 29.499 1.474 18179 4894 1 8 . 1 1 113 113 ARG H H 148 6.782 6.782 8.315 -1.533 18179 4895 1 8 . 1 1 114 114 LEU N N 149 125.966 125.966 122.258 3.708 18179 4896 1 8 . 1 1 114 114 LEU HA H 149 3.776 3.776 4.414 -0.638 18179 4897 1 8 . 1 1 114 114 LEU C C 149 175.787 175.787 175.084 0.703 18179 4898 1 8 . 1 1 114 114 LEU CA C 149 57.640 57.640 54.561 3.079 18179 4899 1 8 . 1 1 114 114 LEU CB C 149 43.153 43.153 44.086 -0.933 18179 4900 1 8 . 1 1 114 114 LEU H H 149 9.976 9.976 8.009 1.967 18179 4901 1 8 . 1 1 115 115 TYR N N 150 115.137 115.137 111.439 3.698 18179 4902 1 8 . 1 1 115 115 TYR HA H 150 4.947 4.947 4.847 0.100 18179 4903 1 8 . 1 1 115 115 TYR C C 150 174.449 174.449 173.649 0.800 18179 4904 1 8 . 1 1 115 115 TYR CA C 150 55.986 55.986 56.107 -0.121 18179 4905 1 8 . 1 1 115 115 TYR CB C 150 38.660 38.660 39.315 -0.655 18179 4906 1 8 . 1 1 115 115 TYR H H 150 8.272 8.272 7.195 1.077 18179 4907 1 8 . 1 1 116 116 ALA N N 151 121.349 121.349 127.986 -6.637 18179 4908 1 8 . 1 1 116 116 ALA HA H 151 5.086 5.086 4.633 0.453 18179 4909 1 8 . 1 1 116 116 ALA C C 151 177.541 177.541 175.340 2.201 18179 4910 1 8 . 1 1 116 116 ALA CA C 151 51.614 51.614 50.749 0.865 18179 4911 1 8 . 1 1 116 116 ALA CB C 151 21.262 21.262 21.322 -0.060 18179 4912 1 8 . 1 1 116 116 ALA H H 151 7.515 7.515 7.972 -0.457 18179 4913 1 8 . 1 1 117 117 TYR N N 152 115.287 115.287 114.921 0.366 18179 4914 1 8 . 1 1 117 117 TYR HA H 152 4.693 4.693 4.689 0.004 18179 4915 1 8 . 1 1 117 117 TYR C C 152 173.749 173.749 175.172 -1.423 18179 4916 1 8 . 1 1 117 117 TYR CA C 152 58.142 58.142 57.387 0.755 18179 4917 1 8 . 1 1 117 117 TYR CB C 152 42.827 42.827 38.595 4.232 18179 4918 1 8 . 1 1 117 117 TYR H H 152 6.916 6.916 7.857 -0.941 18179 4919 1 8 . 1 1 118 118 GLU N N 153 122.624 122.624 121.825 0.799 18179 4920 1 8 . 1 1 118 118 GLU HA H 153 4.951 4.951 4.430 0.521 18179 4921 1 8 . 1 1 118 118 GLU C C 153 175.895 175.895 175.830 0.065 18179 4922 1 8 . 1 1 118 118 GLU CA C 153 54.029 54.029 54.984 -0.955 18179 4923 1 8 . 1 1 118 118 GLU CB C 153 29.513 29.513 29.142 0.371 18179 4924 1 8 . 1 1 118 118 GLU H H 153 9.508 9.508 7.750 1.758 18179 4925 1 8 . 1 1 119 119 PRO HA H 154 4.119 4.119 4.278 -0.159 18179 4926 1 8 . 1 1 119 119 PRO C C 154 176.457 176.457 176.956 -0.499 18179 4927 1 8 . 1 1 119 119 PRO CA C 154 66.240 66.240 64.973 1.267 18179 4928 1 8 . 1 1 119 119 PRO CB C 154 31.682 31.682 31.537 0.145 18179 4929 1 8 . 1 1 120 120 ALA N N 155 114.721 114.721 117.629 -2.908 18179 4930 1 8 . 1 1 120 120 ALA HA H 155 4.372 4.372 4.262 0.110 18179 4931 1 8 . 1 1 120 120 ALA C C 155 178.528 178.528 178.603 -0.075 18179 4932 1 8 . 1 1 120 120 ALA CA C 155 53.148 53.148 53.908 -0.760 18179 4933 1 8 . 1 1 120 120 ALA CB C 155 18.782 18.782 18.954 -0.172 18179 4934 1 8 . 1 1 120 120 ALA H H 155 7.697 7.697 7.881 -0.184 18179 4935 1 8 . 1 1 121 121 ASP N N 156 117.502 117.502 117.955 -0.453 18179 4936 1 8 . 1 1 121 121 ASP HA H 156 5.154 5.154 4.901 0.253 18179 4937 1 8 . 1 1 121 121 ASP C C 156 176.756 176.756 176.825 -0.069 18179 4938 1 8 . 1 1 121 121 ASP CA C 156 54.742 54.742 54.117 0.625 18179 4939 1 8 . 1 1 121 121 ASP CB C 156 42.326 42.326 40.934 1.392 18179 4940 1 8 . 1 1 121 121 ASP H H 156 8.493 8.493 7.924 0.569 18179 4941 1 8 . 1 1 122 122 THR N N 157 111.372 111.372 111.215 0.157 18179 4942 1 8 . 1 1 122 122 THR HA H 157 3.738 3.738 4.212 -0.474 18179 4943 1 8 . 1 1 122 122 THR C C 157 176.023 176.023 175.723 0.300 18179 4944 1 8 . 1 1 122 122 THR CA C 157 66.673 66.673 64.659 2.014 18179 4945 1 8 . 1 1 122 122 THR CB C 157 67.967 67.967 69.061 -1.094 18179 4946 1 8 . 1 1 122 122 THR H H 157 7.428 7.428 7.645 -0.217 18179 4947 1 8 . 1 1 123 123 ALA N N 158 123.853 123.853 124.248 -0.395 18179 4948 1 8 . 1 1 123 123 ALA HA H 158 4.133 4.133 4.193 -0.060 18179 4949 1 8 . 1 1 123 123 ALA C C 158 179.987 179.987 179.242 0.745 18179 4950 1 8 . 1 1 123 123 ALA CA C 158 55.545 55.545 54.767 0.778 18179 4951 1 8 . 1 1 123 123 ALA CB C 158 17.458 17.458 18.274 -0.816 18179 4952 1 8 . 1 1 123 123 ALA H H 158 8.663 8.663 8.250 0.413 18179 4953 1 8 . 1 1 124 124 LEU N N 159 121.199 121.199 118.536 2.663 18179 4954 1 8 . 1 1 124 124 LEU HA H 159 4.229 4.229 4.025 0.204 18179 4955 1 8 . 1 1 124 124 LEU C C 159 178.342 178.342 178.905 -0.563 18179 4956 1 8 . 1 1 124 124 LEU CA C 159 57.329 57.329 57.166 0.162 18179 4957 1 8 . 1 1 124 124 LEU CB C 159 41.956 41.956 41.678 0.278 18179 4958 1 8 . 1 1 124 124 LEU H H 159 7.444 7.444 7.540 -0.096 18179 4959 1 8 . 1 1 125 125 LEU N N 160 119.836 119.836 119.877 -0.041 18179 4960 1 8 . 1 1 125 125 LEU HA H 160 3.963 3.963 4.003 -0.040 18179 4961 1 8 . 1 1 125 125 LEU C C 160 178.168 178.168 179.429 -1.261 18179 4962 1 8 . 1 1 125 125 LEU CA C 160 58.475 58.475 57.793 0.682 18179 4963 1 8 . 1 1 125 125 LEU CB C 160 40.915 40.915 41.231 -0.316 18179 4964 1 8 . 1 1 125 125 LEU H H 160 8.430 8.430 7.411 1.019 18179 4965 1 8 . 1 1 126 126 LEU N N 161 120.046 120.046 119.859 0.187 18179 4966 1 8 . 1 1 126 126 LEU HA H 161 4.000 4.000 3.957 0.043 18179 4967 1 8 . 1 1 126 126 LEU C C 161 178.848 178.848 178.129 0.719 18179 4968 1 8 . 1 1 126 126 LEU CA C 161 58.524 58.524 58.549 -0.025 18179 4969 1 8 . 1 1 126 126 LEU CB C 161 42.005 42.005 41.526 0.479 18179 4970 1 8 . 1 1 126 126 LEU H H 161 8.127 8.127 7.783 0.344 18179 4971 1 8 . 1 1 127 127 ASP N N 162 119.057 119.057 117.669 1.388 18179 4972 1 8 . 1 1 127 127 ASP HA H 162 4.267 4.267 4.402 -0.135 18179 4973 1 8 . 1 1 127 127 ASP C C 162 179.299 179.299 178.466 0.833 18179 4974 1 8 . 1 1 127 127 ASP CA C 162 57.699 57.699 57.296 0.403 18179 4975 1 8 . 1 1 127 127 ASP CB C 162 40.564 40.564 40.736 -0.172 18179 4976 1 8 . 1 1 127 127 ASP H H 162 7.872 7.872 7.605 0.267 18179 4977 1 8 . 1 1 128 128 ASN N N 163 122.268 122.268 118.546 3.722 18179 4978 1 8 . 1 1 128 128 ASN HA H 163 4.423 4.423 4.403 0.020 18179 4979 1 8 . 1 1 128 128 ASN C C 163 177.256 177.256 177.492 -0.236 18179 4980 1 8 . 1 1 128 128 ASN CA C 163 54.502 54.502 56.729 -2.227 18179 4981 1 8 . 1 1 128 128 ASN CB C 163 36.821 36.821 38.694 -1.873 18179 4982 1 8 . 1 1 128 128 ASN H H 163 8.711 8.711 8.297 0.414 18179 4983 1 8 . 1 1 129 129 MET N N 164 122.448 122.448 118.629 3.819 18179 4984 1 8 . 1 1 129 129 MET HA H 164 3.583 3.583 4.013 -0.430 18179 4985 1 8 . 1 1 129 129 MET C C 164 178.272 178.272 177.896 0.376 18179 4986 1 8 . 1 1 129 129 MET CA C 164 59.617 59.617 59.343 0.274 18179 4987 1 8 . 1 1 129 129 MET CB C 164 34.481 34.481 32.535 1.946 18179 4988 1 8 . 1 1 129 129 MET H H 164 8.704 8.704 8.615 0.089 18179 4989 1 8 . 1 1 130 130 LYS N N 165 117.243 117.243 120.415 -3.172 18179 4990 1 8 . 1 1 130 130 LYS HA H 165 3.869 3.869 3.902 -0.033 18179 4991 1 8 . 1 1 130 130 LYS C C 165 180.050 180.050 178.428 1.622 18179 4992 1 8 . 1 1 130 130 LYS CA C 165 60.517 60.517 59.407 1.110 18179 4993 1 8 . 1 1 130 130 LYS CB C 165 31.836 31.836 32.326 -0.490 18179 4994 1 8 . 1 1 130 130 LYS H H 165 7.767 7.767 7.719 0.048 18179 4995 1 8 . 1 1 131 131 LYS N N 166 120.486 120.486 117.782 2.704 18179 4996 1 8 . 1 1 131 131 LYS HA H 166 3.853 3.853 4.031 -0.178 18179 4997 1 8 . 1 1 131 131 LYS C C 166 179.232 179.232 178.688 0.544 18179 4998 1 8 . 1 1 131 131 LYS CA C 166 60.171 60.171 58.137 2.034 18179 4999 1 8 . 1 1 131 131 LYS CB C 166 32.783 32.783 32.171 0.612 18179 5000 1 8 . 1 1 131 131 LYS H H 166 7.914 7.914 7.962 -0.048 18179 5001 1 8 . 1 1 132 132 ALA N N 167 122.426 122.426 121.439 0.987 18179 5002 1 8 . 1 1 132 132 ALA HA H 167 3.625 3.625 3.810 -0.185 18179 5003 1 8 . 1 1 132 132 ALA C C 167 177.616 177.616 179.485 -1.869 18179 5004 1 8 . 1 1 132 132 ALA CA C 167 54.246 54.246 53.983 0.263 18179 5005 1 8 . 1 1 132 132 ALA CB C 167 18.261 18.261 18.232 0.029 18179 5006 1 8 . 1 1 132 132 ALA H H 167 7.801 7.801 7.620 0.181 18179 5007 1 8 . 1 1 133 133 LEU N N 168 113.735 113.735 117.247 -3.512 18179 5008 1 8 . 1 1 133 133 LEU HA H 168 3.747 3.747 4.449 -0.702 18179 5009 1 8 . 1 1 133 133 LEU C C 168 177.322 177.322 175.871 1.451 18179 5010 1 8 . 1 1 133 133 LEU CA C 168 55.892 55.892 56.091 -0.199 18179 5011 1 8 . 1 1 133 133 LEU CB C 168 42.159 42.159 42.377 -0.218 18179 5012 1 8 . 1 1 133 133 LEU H H 168 7.010 7.010 7.386 -0.376 18179 5013 1 8 . 1 1 134 134 LYS N N 169 123.034 123.034 117.893 5.141 18179 5014 1 8 . 1 1 134 134 LYS HA H 169 4.331 4.331 4.380 -0.049 18179 5015 1 8 . 1 1 134 134 LYS C C 169 174.307 174.307 174.792 -0.485 18179 5016 1 8 . 1 1 134 134 LYS CA C 169 55.382 55.382 55.629 -0.247 18179 5017 1 8 . 1 1 134 134 LYS CB C 169 29.718 29.718 32.446 -2.728 18179 5018 1 8 . 1 1 134 134 LYS H H 169 7.202 7.202 7.140 0.062 18179 5019 1 8 . 1 1 135 135 LEU N N 170 120.490 120.490 121.832 -1.342 18179 5020 1 8 . 1 1 135 135 LEU HA H 170 3.980 3.980 4.616 -0.636 18179 5021 1 8 . 1 1 135 135 LEU C C 170 178.427 178.427 174.762 3.665 18179 5022 1 8 . 1 1 135 135 LEU CA C 170 54.884 54.884 53.915 0.969 18179 5023 1 8 . 1 1 135 135 LEU CB C 170 40.903 40.903 39.573 1.330 18179 5024 1 8 . 1 1 135 135 LEU H H 170 7.334 7.334 8.072 -0.738 18179 5025 1 8 . 1 1 136 136 LEU N N 171 120.084 120.084 121.440 -1.356 18179 5026 1 8 . 1 1 136 136 LEU HA H 171 4.040 4.040 4.477 -0.437 18179 5027 1 8 . 1 1 136 136 LEU C C 171 178.231 178.231 176.628 1.603 18179 5028 1 8 . 1 1 136 136 LEU CA C 171 55.750 55.750 54.691 1.059 18179 5029 1 8 . 1 1 136 136 LEU CB C 171 41.734 41.734 43.740 -2.006 18179 5030 1 8 . 1 1 136 136 LEU H H 171 8.614 8.614 7.851 0.763 18179 5031 1 8 . 1 1 137 137 LYS N N 172 121.059 121.059 122.831 -1.772 18179 5032 1 8 . 1 1 137 137 LYS HA H 172 4.333 4.333 4.214 0.119 18179 5033 1 8 . 1 1 137 137 LYS C C 172 174.388 174.388 176.578 -2.190 18179 5034 1 8 . 1 1 137 137 LYS CA C 172 55.903 55.903 56.231 -0.328 18179 5035 1 8 . 1 1 137 137 LYS CB C 172 32.681 32.681 32.524 0.157 18179 5036 1 8 . 1 1 137 137 LYS H H 172 8.468 8.468 8.104 0.364 18179 5037 1 8 . 1 1 138 138 THR N N 173 116.267 116.267 122.927 -6.660 18179 5038 1 8 . 1 1 138 138 THR HA H 173 4.261 4.261 4.509 -0.248 18179 5039 1 8 . 1 1 138 138 THR C C 173 174.267 174.267 174.822 -0.555 18179 5040 1 8 . 1 1 138 138 THR CA C 173 61.867 61.867 63.859 -1.992 18179 5041 1 8 . 1 1 138 138 THR CB C 173 69.848 69.848 68.912 0.936 18179 5042 1 8 . 1 1 138 138 THR H H 173 8.095 8.095 8.574 -0.479 18179 5043 1 8 . 1 1 139 139 GLU N N 174 123.648 123.648 127.237 -3.589 18179 5044 1 8 . 1 1 139 139 GLU HA H 174 4.288 4.288 4.487 -0.199 18179 5045 1 8 . 1 1 139 139 GLU C C 174 175.178 175.178 175.675 -0.497 18179 5046 1 8 . 1 1 139 139 GLU CA C 174 56.205 56.205 56.059 0.146 18179 5047 1 8 . 1 1 139 139 GLU CB C 174 30.353 30.353 30.103 0.250 18179 5048 1 8 . 1 1 139 139 GLU H H 174 8.293 8.293 9.778 -1.485 18179 5049 1 9 . 1 1 17 17 LEU N N 52 120.529 120.529 122.568 -2.039 18179 5050 1 9 . 1 1 17 17 LEU HA H 52 4.317 4.317 4.581 -0.264 18179 5051 1 9 . 1 1 17 17 LEU CA C 52 53.456 53.456 54.182 -0.726 18179 5052 1 9 . 1 1 17 17 LEU CB C 52 42.494 42.494 42.107 0.387 18179 5053 1 9 . 1 1 17 17 LEU H H 52 7.103 7.103 8.039 -0.936 18179 5054 1 9 . 1 1 18 18 ILE CB C 53 36.458 36.458 37.050 -0.592 18179 5055 1 9 . 1 1 23 23 TYR HA H 58 4.359 4.359 3.923 0.436 18179 5056 1 9 . 1 1 23 23 TYR C C 58 176.387 176.387 177.077 -0.690 18179 5057 1 9 . 1 1 23 23 TYR CA C 58 59.597 59.597 62.562 -2.965 18179 5058 1 9 . 1 1 23 23 TYR CB C 58 38.572 38.572 37.882 0.690 18179 5059 1 9 . 1 1 24 24 GLU N N 59 117.335 117.335 117.975 -0.640 18179 5060 1 9 . 1 1 24 24 GLU CA C 59 60.871 60.871 59.816 1.055 18179 5061 1 9 . 1 1 24 24 GLU CB C 59 28.494 28.494 28.554 -0.060 18179 5062 1 9 . 1 1 24 24 GLU H H 59 9.191 9.191 8.951 0.240 18179 5063 1 9 . 1 1 25 25 ALA N N 60 120.861 120.861 121.359 -0.498 18179 5064 1 9 . 1 1 25 25 ALA CA C 60 54.555 54.555 54.626 -0.071 18179 5065 1 9 . 1 1 25 25 ALA CB C 60 18.528 18.528 18.257 0.271 18179 5066 1 9 . 1 1 25 25 ALA H H 60 7.688 7.688 7.633 0.055 18179 5067 1 9 . 1 1 26 26 ALA N N 61 123.402 123.402 121.672 1.730 18179 5068 1 9 . 1 1 26 26 ALA HA H 61 3.900 3.900 3.990 -0.090 18179 5069 1 9 . 1 1 26 26 ALA CA C 61 55.346 55.346 54.870 0.476 18179 5070 1 9 . 1 1 26 26 ALA CB C 61 19.104 19.104 18.390 0.714 18179 5071 1 9 . 1 1 26 26 ALA H H 61 8.225 8.225 7.498 0.727 18179 5072 1 9 . 1 1 27 27 LEU N N 62 118.742 118.742 117.858 0.884 18179 5073 1 9 . 1 1 27 27 LEU HA H 62 3.700 3.700 3.851 -0.151 18179 5074 1 9 . 1 1 27 27 LEU C C 62 171.911 171.911 179.535 -7.624 18179 5075 1 9 . 1 1 27 27 LEU CA C 62 57.654 57.654 57.449 0.205 18179 5076 1 9 . 1 1 27 27 LEU CB C 62 41.905 41.905 41.288 0.617 18179 5077 1 9 . 1 1 27 27 LEU H H 62 8.336 8.336 7.498 0.838 18179 5078 1 9 . 1 1 28 28 TYR N N 63 117.594 117.594 117.096 0.498 18179 5079 1 9 . 1 1 28 28 TYR HA H 63 4.007 4.007 4.065 -0.058 18179 5080 1 9 . 1 1 28 28 TYR C C 63 179.075 179.075 177.914 1.161 18179 5081 1 9 . 1 1 28 28 TYR CA C 63 61.769 61.769 62.215 -0.446 18179 5082 1 9 . 1 1 28 28 TYR CB C 63 38.071 38.071 37.474 0.597 18179 5083 1 9 . 1 1 28 28 TYR H H 63 7.279 7.279 7.464 -0.185 18179 5084 1 9 . 1 1 29 29 LYS N N 64 121.077 121.077 120.225 0.852 18179 5085 1 9 . 1 1 29 29 LYS HA H 64 3.663 3.663 4.476 -0.813 18179 5086 1 9 . 1 1 29 29 LYS C C 64 176.394 176.394 179.046 -2.652 18179 5087 1 9 . 1 1 29 29 LYS CA C 64 59.230 59.230 57.935 1.295 18179 5088 1 9 . 1 1 29 29 LYS CB C 64 32.573 32.573 32.434 0.140 18179 5089 1 9 . 1 1 29 29 LYS H H 64 8.472 8.472 7.914 0.558 18179 5090 1 9 . 1 1 30 30 SER N N 65 117.933 117.933 116.420 1.513 18179 5091 1 9 . 1 1 30 30 SER HA H 65 4.160 4.160 4.214 -0.054 18179 5092 1 9 . 1 1 30 30 SER C C 65 176.518 176.518 176.559 -0.041 18179 5093 1 9 . 1 1 30 30 SER CA C 65 61.706 61.706 62.079 -0.373 18179 5094 1 9 . 1 1 30 30 SER CB C 65 64.022 64.022 63.050 0.972 18179 5095 1 9 . 1 1 30 30 SER H H 65 8.500 8.500 8.512 -0.012 18179 5096 1 9 . 1 1 31 31 LYS N N 66 117.248 117.248 121.527 -4.279 18179 5097 1 9 . 1 1 31 31 LYS HA H 66 4.301 4.301 4.049 0.252 18179 5098 1 9 . 1 1 31 31 LYS C C 66 179.721 179.721 177.977 1.744 18179 5099 1 9 . 1 1 31 31 LYS CA C 66 59.165 59.165 58.914 0.251 18179 5100 1 9 . 1 1 31 31 LYS CB C 66 32.372 32.372 32.504 -0.132 18179 5101 1 9 . 1 1 31 31 LYS H H 66 8.020 8.020 8.344 -0.324 18179 5102 1 9 . 1 1 32 32 THR N N 67 109.772 109.772 110.978 -1.206 18179 5103 1 9 . 1 1 32 32 THR HA H 67 3.883 3.883 4.346 -0.463 18179 5104 1 9 . 1 1 32 32 THR C C 67 176.237 176.237 176.127 0.110 18179 5105 1 9 . 1 1 32 32 THR CA C 67 64.813 64.813 64.541 0.272 18179 5106 1 9 . 1 1 32 32 THR CB C 67 69.445 69.445 69.009 0.436 18179 5107 1 9 . 1 1 32 32 THR H H 67 7.844 7.844 7.509 0.335 18179 5108 1 9 . 1 1 33 33 SER N N 68 115.610 115.610 116.664 -1.054 18179 5109 1 9 . 1 1 33 33 SER HA H 68 4.369 4.369 4.467 -0.098 18179 5110 1 9 . 1 1 33 33 SER C C 68 174.628 174.628 174.615 0.013 18179 5111 1 9 . 1 1 33 33 SER CA C 68 59.242 59.242 58.863 0.379 18179 5112 1 9 . 1 1 33 33 SER CB C 68 65.166 65.166 63.981 1.185 18179 5113 1 9 . 1 1 33 33 SER H H 68 8.047 8.047 7.892 0.155 18179 5114 1 9 . 1 1 34 34 ASN N N 69 110.215 110.215 117.512 -7.297 18179 5115 1 9 . 1 1 34 34 ASN HA H 69 4.181 4.181 4.548 -0.367 18179 5116 1 9 . 1 1 34 34 ASN C C 69 173.253 173.253 174.137 -0.884 18179 5117 1 9 . 1 1 34 34 ASN CA C 69 54.302 54.302 54.595 -0.293 18179 5118 1 9 . 1 1 34 34 ASN CB C 69 38.506 38.506 36.265 2.241 18179 5119 1 9 . 1 1 34 34 ASN H H 69 8.061 8.061 8.263 -0.202 18179 5120 1 9 . 1 1 35 35 LYS N N 70 117.312 117.312 120.270 -2.958 18179 5121 1 9 . 1 1 35 35 LYS HA H 70 4.676 4.676 4.838 -0.162 18179 5122 1 9 . 1 1 35 35 LYS CA C 70 53.385 53.385 53.275 0.110 18179 5123 1 9 . 1 1 35 35 LYS CB C 70 34.049 34.049 33.533 0.516 18179 5124 1 9 . 1 1 35 35 LYS H H 70 7.589 7.589 7.799 -0.210 18179 5125 1 9 . 1 1 36 36 PRO HA H 71 4.371 4.371 4.461 -0.090 18179 5126 1 9 . 1 1 36 36 PRO C C 71 172.189 172.189 175.777 -3.588 18179 5127 1 9 . 1 1 36 36 PRO CA C 71 62.356 62.356 62.687 -0.331 18179 5128 1 9 . 1 1 36 36 PRO CB C 71 31.785 31.785 32.575 -0.791 18179 5129 1 9 . 1 1 37 37 LEU N N 72 122.894 122.894 125.327 -2.433 18179 5130 1 9 . 1 1 37 37 LEU HA H 72 5.392 5.392 4.697 0.695 18179 5131 1 9 . 1 1 37 37 LEU C C 72 174.422 174.422 176.056 -1.634 18179 5132 1 9 . 1 1 37 37 LEU CA C 72 52.656 52.656 54.026 -1.370 18179 5133 1 9 . 1 1 37 37 LEU CB C 72 45.220 45.220 43.094 2.126 18179 5134 1 9 . 1 1 37 37 LEU H H 72 8.936 8.936 8.179 0.757 18179 5135 1 9 . 1 1 38 38 MET N N 73 128.922 128.922 125.068 3.854 18179 5136 1 9 . 1 1 38 38 MET C C 73 172.488 172.488 174.662 -2.174 18179 5137 1 9 . 1 1 38 38 MET CA C 73 54.806 54.806 53.512 1.294 18179 5138 1 9 . 1 1 38 38 MET CB C 73 35.127 35.127 33.262 1.865 18179 5139 1 9 . 1 1 38 38 MET H H 73 8.965 8.965 8.234 0.731 18179 5140 1 9 . 1 1 39 39 ILE N N 74 124.016 124.016 128.969 -4.953 18179 5141 1 9 . 1 1 39 39 ILE HA H 74 4.819 4.819 4.360 0.459 18179 5142 1 9 . 1 1 39 39 ILE C C 74 175.018 175.018 174.897 0.121 18179 5143 1 9 . 1 1 39 39 ILE CA C 74 59.688 59.688 59.715 -0.027 18179 5144 1 9 . 1 1 39 39 ILE CB C 74 40.407 40.407 37.479 2.928 18179 5145 1 9 . 1 1 39 39 ILE H H 74 8.727 8.727 9.206 -0.479 18179 5146 1 9 . 1 1 40 40 ILE N N 75 126.837 126.837 129.340 -2.503 18179 5147 1 9 . 1 1 40 40 ILE HA H 75 4.038 4.038 4.824 -0.786 18179 5148 1 9 . 1 1 40 40 ILE C C 75 175.282 175.282 174.864 0.418 18179 5149 1 9 . 1 1 40 40 ILE CA C 75 60.408 60.408 59.386 1.022 18179 5150 1 9 . 1 1 40 40 ILE CB C 75 40.028 40.028 38.376 1.652 18179 5151 1 9 . 1 1 40 40 ILE H H 75 8.587 8.587 8.567 0.020 18179 5152 1 9 . 1 1 41 41 HIS N N 76 128.633 128.633 129.263 -0.630 18179 5153 1 9 . 1 1 41 41 HIS CA C 76 56.453 56.453 53.613 2.840 18179 5154 1 9 . 1 1 41 41 HIS CB C 76 29.368 29.368 32.700 -3.332 18179 5155 1 9 . 1 1 41 41 HIS H H 76 9.145 9.145 8.145 1.000 18179 5156 1 9 . 1 1 42 42 HIS HA H 77 4.822 4.822 4.847 -0.025 18179 5157 1 9 . 1 1 42 42 HIS C C 77 170.942 170.942 172.320 -1.378 18179 5158 1 9 . 1 1 42 42 HIS CA C 77 54.441 54.441 54.743 -0.302 18179 5159 1 9 . 1 1 42 42 HIS CB C 77 34.768 34.768 33.035 1.733 18179 5160 1 9 . 1 1 43 43 LEU N N 78 114.526 114.526 118.062 -3.536 18179 5161 1 9 . 1 1 43 43 LEU HA H 78 4.540 4.540 4.680 -0.140 18179 5162 1 9 . 1 1 43 43 LEU C C 78 177.855 177.855 177.380 0.475 18179 5163 1 9 . 1 1 43 43 LEU CA C 78 54.020 54.020 53.536 0.484 18179 5164 1 9 . 1 1 43 43 LEU CB C 78 46.643 46.643 45.533 1.110 18179 5165 1 9 . 1 1 43 43 LEU H H 78 7.077 7.077 7.758 -0.681 18179 5166 1 9 . 1 1 44 44 ASP N N 79 123.675 123.675 119.217 4.458 18179 5167 1 9 . 1 1 44 44 ASP HA H 79 4.452 4.452 4.702 -0.250 18179 5168 1 9 . 1 1 44 44 ASP C C 79 177.872 177.872 176.899 0.973 18179 5169 1 9 . 1 1 44 44 ASP CA C 79 57.458 57.458 56.096 1.362 18179 5170 1 9 . 1 1 44 44 ASP CB C 79 40.739 40.739 41.534 -0.795 18179 5171 1 9 . 1 1 44 44 ASP H H 79 8.783 8.783 8.691 0.092 18179 5172 1 9 . 1 1 45 45 GLU N N 80 115.578 115.578 119.455 -3.877 18179 5173 1 9 . 1 1 45 45 GLU HA H 80 4.156 4.156 4.308 -0.152 18179 5174 1 9 . 1 1 45 45 GLU C C 80 175.108 175.108 175.525 -0.417 18179 5175 1 9 . 1 1 45 45 GLU CA C 80 56.661 56.661 56.404 0.257 18179 5176 1 9 . 1 1 45 45 GLU CB C 80 28.604 28.604 29.152 -0.548 18179 5177 1 9 . 1 1 45 45 GLU H H 80 9.146 9.146 8.692 0.454 18179 5178 1 9 . 1 1 46 46 CYS N N 81 125.642 125.642 116.258 9.384 18179 5179 1 9 . 1 1 46 46 CYS HA H 81 4.814 4.814 4.832 -0.018 18179 5180 1 9 . 1 1 46 46 CYS C C 81 175.453 175.453 172.515 2.938 18179 5181 1 9 . 1 1 46 46 CYS CA C 81 56.298 56.298 54.428 1.870 18179 5182 1 9 . 1 1 46 46 CYS CB C 81 30.378 30.378 29.419 0.959 18179 5183 1 9 . 1 1 46 46 CYS H H 81 7.146 7.146 7.510 -0.364 18179 5184 1 9 . 1 1 47 47 PRO HA H 82 4.311 4.311 4.129 0.182 18179 5185 1 9 . 1 1 47 47 PRO CA C 82 64.536 64.536 63.060 1.476 18179 5186 1 9 . 1 1 47 47 PRO CB C 82 32.069 32.069 31.678 0.391 18179 5187 1 9 . 1 1 48 48 HIS N N 83 124.416 124.416 123.135 1.281 18179 5188 1 9 . 1 1 48 48 HIS HA H 83 4.511 4.511 4.311 0.200 18179 5189 1 9 . 1 1 48 48 HIS C C 83 178.820 178.820 177.124 1.696 18179 5190 1 9 . 1 1 48 48 HIS CA C 83 59.042 59.042 56.422 2.620 18179 5191 1 9 . 1 1 48 48 HIS CB C 83 28.921 28.921 30.204 -1.283 18179 5192 1 9 . 1 1 48 48 HIS H H 83 8.936 8.936 8.357 0.579 18179 5193 1 9 . 1 1 49 49 SER N N 84 129.973 129.973 119.694 10.279 18179 5194 1 9 . 1 1 49 49 SER HA H 84 4.152 4.152 4.078 0.074 18179 5195 1 9 . 1 1 49 49 SER C C 84 175.397 175.397 175.490 -0.093 18179 5196 1 9 . 1 1 49 49 SER CA C 84 63.873 63.873 61.955 1.918 18179 5197 1 9 . 1 1 49 49 SER CB C 84 65.516 65.516 62.864 2.652 18179 5198 1 9 . 1 1 49 49 SER H H 84 11.408 11.408 8.976 2.432 18179 5199 1 9 . 1 1 50 50 GLN N N 85 118.214 118.214 120.064 -1.850 18179 5200 1 9 . 1 1 50 50 GLN HA H 85 3.701 3.701 4.074 -0.373 18179 5201 1 9 . 1 1 50 50 GLN C C 85 178.213 178.213 177.738 0.475 18179 5202 1 9 . 1 1 50 50 GLN CA C 85 58.201 58.201 58.221 -0.020 18179 5203 1 9 . 1 1 50 50 GLN CB C 85 27.294 27.294 27.927 -0.633 18179 5204 1 9 . 1 1 50 50 GLN H H 85 8.192 8.192 7.982 0.210 18179 5205 1 9 . 1 1 51 51 ALA N N 86 121.790 121.790 122.758 -0.968 18179 5206 1 9 . 1 1 51 51 ALA HA H 86 4.099 4.099 4.144 -0.045 18179 5207 1 9 . 1 1 51 51 ALA C C 86 180.512 180.512 179.530 0.982 18179 5208 1 9 . 1 1 51 51 ALA CA C 86 54.742 54.742 54.781 -0.039 18179 5209 1 9 . 1 1 51 51 ALA CB C 86 18.559 18.559 18.259 0.300 18179 5210 1 9 . 1 1 51 51 ALA H H 86 7.748 7.748 8.266 -0.518 18179 5211 1 9 . 1 1 52 52 LEU N N 87 118.528 118.528 119.611 -1.083 18179 5212 1 9 . 1 1 52 52 LEU HA H 87 4.076 4.076 4.377 -0.301 18179 5213 1 9 . 1 1 52 52 LEU CA C 87 57.266 57.266 56.773 0.493 18179 5214 1 9 . 1 1 52 52 LEU CB C 87 41.947 41.947 42.086 -0.139 18179 5215 1 9 . 1 1 52 52 LEU H H 87 7.918 7.918 7.592 0.326 18179 5216 1 9 . 1 1 53 53 LYS N N 88 120.398 120.398 120.114 0.284 18179 5217 1 9 . 1 1 53 53 LYS H H 88 7.932 7.932 8.313 -0.381 18179 5218 1 9 . 1 1 54 54 LYS N N 89 115.219 115.219 118.803 -3.584 18179 5219 1 9 . 1 1 54 54 LYS HA H 89 3.790 3.790 4.141 -0.351 18179 5220 1 9 . 1 1 54 54 LYS C C 89 178.614 178.614 179.083 -0.469 18179 5221 1 9 . 1 1 54 54 LYS CA C 89 59.308 59.308 59.298 0.010 18179 5222 1 9 . 1 1 54 54 LYS CB C 89 32.530 32.530 32.501 0.029 18179 5223 1 9 . 1 1 54 54 LYS H H 89 6.889 6.889 7.683 -0.794 18179 5224 1 9 . 1 1 55 55 VAL N N 90 110.991 110.991 120.166 -9.175 18179 5225 1 9 . 1 1 55 55 VAL HA H 90 4.049 4.049 3.881 0.168 18179 5226 1 9 . 1 1 55 55 VAL C C 90 178.054 178.054 178.147 -0.093 18179 5227 1 9 . 1 1 55 55 VAL CA C 90 64.467 64.467 66.043 -1.576 18179 5228 1 9 . 1 1 55 55 VAL CB C 90 31.625 31.625 31.630 -0.005 18179 5229 1 9 . 1 1 55 55 VAL H H 90 6.748 6.748 7.449 -0.701 18179 5230 1 9 . 1 1 56 56 PHE N N 91 124.010 124.010 117.591 6.419 18179 5231 1 9 . 1 1 56 56 PHE HA H 91 3.829 3.829 4.102 -0.273 18179 5232 1 9 . 1 1 56 56 PHE C C 91 177.496 177.496 177.220 0.276 18179 5233 1 9 . 1 1 56 56 PHE CA C 91 61.854 61.854 61.734 0.120 18179 5234 1 9 . 1 1 56 56 PHE CB C 91 41.828 41.828 38.470 3.358 18179 5235 1 9 . 1 1 56 56 PHE H H 91 8.722 8.722 8.575 0.147 18179 5236 1 9 . 1 1 57 57 ALA N N 92 118.444 118.444 119.728 -1.284 18179 5237 1 9 . 1 1 57 57 ALA HA H 92 4.185 4.185 4.213 -0.028 18179 5238 1 9 . 1 1 57 57 ALA C C 92 180.660 180.660 178.460 2.200 18179 5239 1 9 . 1 1 57 57 ALA CA C 92 54.288 54.288 54.059 0.229 18179 5240 1 9 . 1 1 57 57 ALA CB C 92 18.487 18.487 18.887 -0.400 18179 5241 1 9 . 1 1 57 57 ALA H H 92 8.695 8.695 7.573 1.122 18179 5242 1 9 . 1 1 58 58 GLU N N 93 112.263 112.263 117.925 -5.662 18179 5243 1 9 . 1 1 58 58 GLU HA H 93 4.156 4.156 4.186 -0.030 18179 5244 1 9 . 1 1 58 58 GLU C C 93 175.641 175.641 177.336 -1.695 18179 5245 1 9 . 1 1 58 58 GLU CA C 93 55.883 55.883 57.310 -1.427 18179 5246 1 9 . 1 1 58 58 GLU CB C 93 30.495 30.495 30.192 0.303 18179 5247 1 9 . 1 1 58 58 GLU H H 93 7.108 7.108 7.722 -0.614 18179 5248 1 9 . 1 1 59 59 ASN N N 94 120.422 120.422 120.575 -0.153 18179 5249 1 9 . 1 1 59 59 ASN HA H 94 4.590 4.590 4.750 -0.160 18179 5250 1 9 . 1 1 59 59 ASN C C 94 174.151 174.151 175.810 -1.659 18179 5251 1 9 . 1 1 59 59 ASN CA C 94 54.056 54.056 52.912 1.144 18179 5252 1 9 . 1 1 59 59 ASN CB C 94 38.723 38.723 40.022 -1.299 18179 5253 1 9 . 1 1 59 59 ASN H H 94 7.269 7.269 8.154 -0.885 18179 5254 1 9 . 1 1 60 60 LYS N N 95 127.497 127.497 124.913 2.584 18179 5255 1 9 . 1 1 60 60 LYS HA H 95 3.770 3.770 4.219 -0.449 18179 5256 1 9 . 1 1 60 60 LYS C C 95 178.959 178.959 177.899 1.060 18179 5257 1 9 . 1 1 60 60 LYS CA C 95 59.337 59.337 58.701 0.636 18179 5258 1 9 . 1 1 60 60 LYS CB C 95 32.170 32.170 32.774 -0.604 18179 5259 1 9 . 1 1 60 60 LYS H H 95 8.672 8.672 8.766 -0.094 18179 5260 1 9 . 1 1 61 61 GLU N N 96 119.409 119.409 120.206 -0.797 18179 5261 1 9 . 1 1 61 61 GLU HA H 96 3.984 3.984 4.158 -0.174 18179 5262 1 9 . 1 1 61 61 GLU C C 96 179.574 179.574 178.935 0.639 18179 5263 1 9 . 1 1 61 61 GLU CA C 96 59.955 59.955 59.143 0.812 18179 5264 1 9 . 1 1 61 61 GLU CB C 96 29.246 29.246 30.026 -0.780 18179 5265 1 9 . 1 1 61 61 GLU H H 96 7.988 7.988 8.218 -0.230 18179 5266 1 9 . 1 1 62 62 ILE N N 97 122.621 122.621 120.012 2.609 18179 5267 1 9 . 1 1 62 62 ILE HA H 97 3.224 3.224 3.517 -0.293 18179 5268 1 9 . 1 1 62 62 ILE C C 97 177.158 177.158 177.724 -0.566 18179 5269 1 9 . 1 1 62 62 ILE CA C 97 65.787 65.787 65.433 0.354 18179 5270 1 9 . 1 1 62 62 ILE CB C 97 37.710 37.710 37.520 0.190 18179 5271 1 9 . 1 1 62 62 ILE H H 97 8.484 8.484 8.905 -0.421 18179 5272 1 9 . 1 1 63 63 GLN N N 98 115.619 115.619 118.628 -3.009 18179 5273 1 9 . 1 1 63 63 GLN HA H 98 3.481 3.481 4.275 -0.794 18179 5274 1 9 . 1 1 63 63 GLN C C 98 178.097 178.097 178.098 -0.001 18179 5275 1 9 . 1 1 63 63 GLN CA C 98 58.601 58.601 58.900 -0.299 18179 5276 1 9 . 1 1 63 63 GLN CB C 98 28.834 28.834 28.696 0.138 18179 5277 1 9 . 1 1 63 63 GLN H H 98 8.046 8.046 7.762 0.284 18179 5278 1 9 . 1 1 64 64 LYS N N 99 116.464 116.464 120.598 -4.134 18179 5279 1 9 . 1 1 64 64 LYS HA H 99 4.125 4.125 4.063 0.062 18179 5280 1 9 . 1 1 64 64 LYS C C 99 179.740 179.740 179.019 0.721 18179 5281 1 9 . 1 1 64 64 LYS CA C 99 57.955 57.955 59.332 -1.377 18179 5282 1 9 . 1 1 64 64 LYS CB C 99 32.054 32.054 32.309 -0.254 18179 5283 1 9 . 1 1 64 64 LYS H H 99 7.578 7.578 7.604 -0.026 18179 5284 1 9 . 1 1 65 65 LEU N N 100 122.576 122.576 119.334 3.242 18179 5285 1 9 . 1 1 65 65 LEU HA H 100 4.128 4.128 4.241 -0.113 18179 5286 1 9 . 1 1 65 65 LEU C C 100 178.481 178.481 178.660 -0.179 18179 5287 1 9 . 1 1 65 65 LEU CA C 100 57.044 57.044 58.167 -1.123 18179 5288 1 9 . 1 1 65 65 LEU CB C 100 41.883 41.883 41.314 0.569 18179 5289 1 9 . 1 1 65 65 LEU H H 100 7.916 7.916 8.448 -0.532 18179 5290 1 9 . 1 1 66 66 ALA N N 101 119.534 119.534 115.877 3.657 18179 5291 1 9 . 1 1 66 66 ALA HA H 101 3.810 3.810 4.347 -0.537 18179 5292 1 9 . 1 1 66 66 ALA C C 101 177.520 177.520 178.176 -0.656 18179 5293 1 9 . 1 1 66 66 ALA CA C 101 54.772 54.772 53.413 1.359 18179 5294 1 9 . 1 1 66 66 ALA CB C 101 17.737 17.737 18.755 -1.018 18179 5295 1 9 . 1 1 66 66 ALA H H 101 8.511 8.511 7.767 0.744 18179 5296 1 9 . 1 1 67 67 GLU N N 102 113.081 113.081 118.747 -5.666 18179 5297 1 9 . 1 1 67 67 GLU HA H 102 4.113 4.113 4.207 -0.094 18179 5298 1 9 . 1 1 67 67 GLU C C 102 178.295 178.295 178.321 -0.026 18179 5299 1 9 . 1 1 67 67 GLU CA C 102 58.285 58.285 58.502 -0.217 18179 5300 1 9 . 1 1 67 67 GLU CB C 102 29.952 29.952 30.174 -0.222 18179 5301 1 9 . 1 1 67 67 GLU H H 102 7.039 7.039 7.729 -0.690 18179 5302 1 9 . 1 1 68 68 GLN N N 103 116.244 116.244 114.982 1.262 18179 5303 1 9 . 1 1 68 68 GLN HA H 103 4.107 4.107 4.278 -0.171 18179 5304 1 9 . 1 1 68 68 GLN C C 103 173.173 173.173 175.455 -2.282 18179 5305 1 9 . 1 1 68 68 GLN CA C 103 56.094 56.094 55.572 0.522 18179 5306 1 9 . 1 1 68 68 GLN CB C 103 28.703 28.703 28.807 -0.104 18179 5307 1 9 . 1 1 68 68 GLN H H 103 8.167 8.167 7.633 0.534 18179 5308 1 9 . 1 1 69 69 PHE N N 104 116.822 116.822 116.875 -0.053 18179 5309 1 9 . 1 1 69 69 PHE HA H 104 4.645 4.645 4.722 -0.077 18179 5310 1 9 . 1 1 69 69 PHE C C 104 177.346 177.346 175.307 2.039 18179 5311 1 9 . 1 1 69 69 PHE CA C 104 57.254 57.254 57.109 0.145 18179 5312 1 9 . 1 1 69 69 PHE CB C 104 40.897 40.897 42.085 -1.188 18179 5313 1 9 . 1 1 69 69 PHE H H 104 7.633 7.633 7.409 0.224 18179 5314 1 9 . 1 1 70 70 VAL N N 105 120.799 120.799 119.944 0.855 18179 5315 1 9 . 1 1 70 70 VAL HA H 105 3.867 3.867 4.298 -0.431 18179 5316 1 9 . 1 1 70 70 VAL C C 105 174.191 174.191 174.678 -0.487 18179 5317 1 9 . 1 1 70 70 VAL CA C 105 63.450 63.450 62.025 1.425 18179 5318 1 9 . 1 1 70 70 VAL CB C 105 31.566 31.566 32.565 -0.999 18179 5319 1 9 . 1 1 70 70 VAL H H 105 8.943 8.943 8.827 0.116 18179 5320 1 9 . 1 1 71 71 LEU N N 106 129.105 129.105 122.408 6.697 18179 5321 1 9 . 1 1 71 71 LEU HA H 106 4.850 4.850 5.017 -0.167 18179 5322 1 9 . 1 1 71 71 LEU CA C 106 53.854 53.854 52.621 1.233 18179 5323 1 9 . 1 1 71 71 LEU CB C 106 44.478 44.478 44.896 -0.418 18179 5324 1 9 . 1 1 71 71 LEU H H 106 8.432 8.432 8.263 0.169 18179 5325 1 9 . 1 1 72 72 LEU N N 107 123.682 123.682 120.544 3.138 18179 5326 1 9 . 1 1 72 72 LEU H H 107 8.298 8.298 8.368 -0.070 18179 5327 1 9 . 1 1 73 73 ASN N N 108 125.520 125.520 119.349 6.171 18179 5328 1 9 . 1 1 73 73 ASN CA C 108 51.631 51.631 52.187 -0.556 18179 5329 1 9 . 1 1 73 73 ASN CB C 108 41.484 41.484 40.675 0.809 18179 5330 1 9 . 1 1 73 73 ASN H H 108 9.761 9.761 8.753 1.008 18179 5331 1 9 . 1 1 74 74 LEU N N 109 122.070 122.070 116.538 5.532 18179 5332 1 9 . 1 1 74 74 LEU H H 109 8.563 8.563 8.527 0.036 18179 5333 1 9 . 1 1 75 75 VAL HA H 110 5.100 5.100 4.119 0.981 18179 5334 1 9 . 1 1 75 75 VAL CA C 110 59.157 59.157 61.680 -2.523 18179 5335 1 9 . 1 1 76 76 TYR N N 111 120.641 120.641 117.672 2.969 18179 5336 1 9 . 1 1 76 76 TYR HA H 111 4.569 4.569 4.410 0.160 18179 5337 1 9 . 1 1 76 76 TYR C C 111 175.393 175.393 174.348 1.045 18179 5338 1 9 . 1 1 76 76 TYR CA C 111 57.736 57.736 57.066 0.669 18179 5339 1 9 . 1 1 76 76 TYR CB C 111 39.426 39.426 39.698 -0.272 18179 5340 1 9 . 1 1 76 76 TYR H H 111 8.255 8.255 7.975 0.280 18179 5341 1 9 . 1 1 79 79 THR HA H 114 4.180 4.180 4.139 0.041 18179 5342 1 9 . 1 1 79 79 THR CA C 114 61.295 61.295 65.091 -3.796 18179 5343 1 9 . 1 1 79 79 THR CB C 114 68.683 68.683 69.076 -0.393 18179 5344 1 9 . 1 1 80 80 ASP N N 115 121.026 121.026 120.188 0.838 18179 5345 1 9 . 1 1 80 80 ASP C C 115 177.959 177.959 175.875 2.084 18179 5346 1 9 . 1 1 80 80 ASP CA C 115 53.276 53.276 53.482 -0.206 18179 5347 1 9 . 1 1 80 80 ASP H H 115 7.746 7.746 7.974 -0.228 18179 5348 1 9 . 1 1 81 81 LYS N N 116 129.056 129.056 125.138 3.918 18179 5349 1 9 . 1 1 81 81 LYS HA H 116 3.828 3.828 4.199 -0.371 18179 5350 1 9 . 1 1 81 81 LYS C C 116 179.118 179.118 177.487 1.631 18179 5351 1 9 . 1 1 81 81 LYS CA C 116 57.957 57.957 58.075 -0.118 18179 5352 1 9 . 1 1 81 81 LYS CB C 116 31.273 31.273 32.400 -1.127 18179 5353 1 9 . 1 1 81 81 LYS H H 116 8.873 8.873 8.736 0.137 18179 5354 1 9 . 1 1 82 82 HIS N N 117 116.887 116.887 118.160 -1.273 18179 5355 1 9 . 1 1 82 82 HIS HA H 117 4.290 4.290 4.448 -0.158 18179 5356 1 9 . 1 1 82 82 HIS C C 117 175.622 175.622 176.287 -0.665 18179 5357 1 9 . 1 1 82 82 HIS CA C 117 57.865 57.865 58.462 -0.597 18179 5358 1 9 . 1 1 82 82 HIS CB C 117 27.704 27.704 30.039 -2.335 18179 5359 1 9 . 1 1 82 82 HIS H H 117 8.707 8.707 7.803 0.904 18179 5360 1 9 . 1 1 83 83 LEU N N 118 113.733 113.733 118.645 -4.912 18179 5361 1 9 . 1 1 83 83 LEU HA H 118 4.290 4.290 4.352 -0.062 18179 5362 1 9 . 1 1 83 83 LEU C C 118 175.949 175.949 177.782 -1.833 18179 5363 1 9 . 1 1 83 83 LEU CA C 118 53.982 53.982 55.093 -1.111 18179 5364 1 9 . 1 1 83 83 LEU CB C 118 41.734 41.734 41.935 -0.201 18179 5365 1 9 . 1 1 83 83 LEU H H 118 7.332 7.332 8.928 -1.596 18179 5366 1 9 . 1 1 84 84 SER N N 119 111.979 111.979 117.778 -5.799 18179 5367 1 9 . 1 1 84 84 SER HA H 119 4.632 4.632 4.169 0.463 18179 5368 1 9 . 1 1 84 84 SER C C 119 173.830 173.830 174.029 -0.199 18179 5369 1 9 . 1 1 84 84 SER CA C 119 55.581 55.581 63.133 -7.552 18179 5370 1 9 . 1 1 84 84 SER CB C 119 62.367 62.367 61.450 0.917 18179 5371 1 9 . 1 1 84 84 SER H H 119 7.268 7.268 7.770 -0.502 18179 5372 1 9 . 1 1 85 85 PRO HA H 120 4.384 4.384 4.456 -0.072 18179 5373 1 9 . 1 1 85 85 PRO C C 120 177.881 177.881 177.215 0.666 18179 5374 1 9 . 1 1 85 85 PRO CA C 120 65.292 65.292 64.875 0.417 18179 5375 1 9 . 1 1 85 85 PRO CB C 120 31.942 31.942 31.819 0.123 18179 5376 1 9 . 1 1 86 86 ASP N N 121 117.614 117.614 114.000 3.614 18179 5377 1 9 . 1 1 86 86 ASP HA H 121 4.960 4.960 4.728 0.232 18179 5378 1 9 . 1 1 86 86 ASP C C 121 174.734 174.734 176.744 -2.010 18179 5379 1 9 . 1 1 86 86 ASP CA C 121 51.999 51.999 54.107 -2.108 18179 5380 1 9 . 1 1 86 86 ASP CB C 121 40.327 40.327 42.387 -2.060 18179 5381 1 9 . 1 1 86 86 ASP H H 121 8.882 8.882 7.913 0.969 18179 5382 1 9 . 1 1 87 87 GLY N N 122 106.815 106.815 107.704 -0.889 18179 5383 1 9 . 1 1 87 87 GLY C C 122 173.401 173.401 174.528 -1.127 18179 5384 1 9 . 1 1 87 87 GLY CA C 122 43.814 43.814 45.035 -1.221 18179 5385 1 9 . 1 1 87 87 GLY H H 122 6.973 6.973 8.577 -1.604 18179 5386 1 9 . 1 1 88 88 GLN N N 123 118.319 118.319 118.101 0.218 18179 5387 1 9 . 1 1 88 88 GLN HA H 123 3.984 3.984 4.475 -0.491 18179 5388 1 9 . 1 1 88 88 GLN C C 123 174.141 174.141 174.563 -0.422 18179 5389 1 9 . 1 1 88 88 GLN CA C 123 54.717 54.717 56.008 -1.291 18179 5390 1 9 . 1 1 88 88 GLN CB C 123 27.267 27.267 30.956 -3.689 18179 5391 1 9 . 1 1 88 88 GLN H H 123 8.224 8.224 7.966 0.258 18179 5392 1 9 . 1 1 89 89 TYR N N 124 117.220 117.220 117.744 -0.524 18179 5393 1 9 . 1 1 89 89 TYR HA H 124 4.596 4.596 4.375 0.221 18179 5394 1 9 . 1 1 89 89 TYR C C 124 173.402 173.402 175.916 -2.514 18179 5395 1 9 . 1 1 89 89 TYR CA C 124 54.672 54.672 57.923 -3.252 18179 5396 1 9 . 1 1 89 89 TYR CB C 124 38.970 38.970 39.158 -0.188 18179 5397 1 9 . 1 1 89 89 TYR H H 124 5.954 5.954 7.742 -1.788 18179 5398 1 9 . 1 1 90 90 VAL N N 125 109.249 109.249 120.990 -11.741 18179 5399 1 9 . 1 1 90 90 VAL HA H 125 4.572 4.572 3.842 0.730 18179 5400 1 9 . 1 1 90 90 VAL C C 125 173.254 173.254 174.119 -0.865 18179 5401 1 9 . 1 1 90 90 VAL CA C 125 57.982 57.982 62.915 -4.933 18179 5402 1 9 . 1 1 90 90 VAL CB C 125 35.376 35.376 31.396 3.980 18179 5403 1 9 . 1 1 90 90 VAL H H 125 8.303 8.303 8.657 -0.354 18179 5404 1 9 . 1 1 92 92 ARG HA H 127 5.178 5.178 4.437 0.741 18179 5405 1 9 . 1 1 92 92 ARG CA C 127 55.689 55.689 59.296 -3.607 18179 5406 1 9 . 1 1 93 93 ILE N N 128 127.696 127.696 119.313 8.383 18179 5407 1 9 . 1 1 93 93 ILE HA H 128 5.088 5.088 4.471 0.617 18179 5408 1 9 . 1 1 93 93 ILE CA C 128 61.063 61.063 60.605 0.458 18179 5409 1 9 . 1 1 93 93 ILE CB C 128 39.101 39.101 38.567 0.534 18179 5410 1 9 . 1 1 93 93 ILE H H 128 9.099 9.099 7.929 1.170 18179 5411 1 9 . 1 1 94 94 MET N N 129 122.683 122.683 126.351 -3.668 18179 5412 1 9 . 1 1 94 94 MET C C 129 174.006 174.006 174.089 -0.083 18179 5413 1 9 . 1 1 94 94 MET CA C 129 51.503 51.503 53.992 -2.489 18179 5414 1 9 . 1 1 94 94 MET CB C 129 34.764 34.764 37.211 -2.447 18179 5415 1 9 . 1 1 94 94 MET H H 129 8.496 8.496 8.665 -0.169 18179 5416 1 9 . 1 1 95 95 PHE N N 130 118.014 118.014 118.414 -0.400 18179 5417 1 9 . 1 1 95 95 PHE HA H 130 5.589 5.589 5.742 -0.153 18179 5418 1 9 . 1 1 95 95 PHE C C 130 174.811 174.811 172.964 1.847 18179 5419 1 9 . 1 1 95 95 PHE CA C 130 56.432 56.432 56.071 0.361 18179 5420 1 9 . 1 1 95 95 PHE CB C 130 41.941 41.941 41.495 0.446 18179 5421 1 9 . 1 1 95 95 PHE H H 130 8.573 8.573 8.412 0.161 18179 5422 1 9 . 1 1 96 96 VAL N N 131 122.847 122.847 120.061 2.786 18179 5423 1 9 . 1 1 96 96 VAL HA H 131 4.337 4.337 4.268 0.069 18179 5424 1 9 . 1 1 96 96 VAL C C 131 174.303 174.303 173.380 0.923 18179 5425 1 9 . 1 1 96 96 VAL CA C 131 61.405 61.405 60.922 0.483 18179 5426 1 9 . 1 1 96 96 VAL CB C 131 34.679 34.679 36.202 -1.523 18179 5427 1 9 . 1 1 96 96 VAL H H 131 9.855 9.855 8.214 1.641 18179 5428 1 9 . 1 1 97 97 ASP N N 132 128.042 128.042 121.462 6.580 18179 5429 1 9 . 1 1 97 97 ASP HA H 132 4.883 4.883 4.936 -0.053 18179 5430 1 9 . 1 1 97 97 ASP C C 132 174.958 174.958 173.979 0.979 18179 5431 1 9 . 1 1 97 97 ASP CA C 132 53.082 53.082 52.646 0.436 18179 5432 1 9 . 1 1 97 97 ASP CB C 132 45.484 45.484 43.598 1.886 18179 5433 1 9 . 1 1 97 97 ASP H H 132 8.399 8.399 8.247 0.152 18179 5434 1 9 . 1 1 98 98 PRO HA H 133 4.566 4.566 4.281 0.285 18179 5435 1 9 . 1 1 98 98 PRO C C 133 175.650 175.650 176.889 -1.239 18179 5436 1 9 . 1 1 98 98 PRO CA C 133 65.207 65.207 65.242 -0.035 18179 5437 1 9 . 1 1 98 98 PRO CB C 133 31.858 31.858 31.933 -0.075 18179 5438 1 9 . 1 1 99 99 SER N N 134 111.171 111.171 112.325 -1.154 18179 5439 1 9 . 1 1 99 99 SER HA H 134 4.122 4.122 4.375 -0.253 18179 5440 1 9 . 1 1 99 99 SER C C 134 175.303 175.303 176.569 -1.266 18179 5441 1 9 . 1 1 99 99 SER CA C 134 60.237 60.237 60.881 -0.644 18179 5442 1 9 . 1 1 99 99 SER CB C 134 64.471 64.471 63.690 0.781 18179 5443 1 9 . 1 1 99 99 SER H H 134 8.154 8.154 8.296 -0.142 18179 5444 1 9 . 1 1 100 100 LEU N N 135 118.112 118.112 120.318 -2.206 18179 5445 1 9 . 1 1 100 100 LEU HA H 135 3.683 3.683 4.124 -0.441 18179 5446 1 9 . 1 1 100 100 LEU C C 135 175.886 175.886 176.623 -0.737 18179 5447 1 9 . 1 1 100 100 LEU CA C 135 56.548 56.548 56.792 -0.244 18179 5448 1 9 . 1 1 100 100 LEU CB C 135 36.922 36.922 42.475 -5.553 18179 5449 1 9 . 1 1 100 100 LEU H H 135 9.194 9.194 9.147 0.047 18179 5450 1 9 . 1 1 101 101 THR N N 136 116.048 116.048 110.507 5.541 18179 5451 1 9 . 1 1 101 101 THR HA H 136 4.191 4.191 3.983 0.208 18179 5452 1 9 . 1 1 101 101 THR C C 136 173.771 173.771 173.762 0.009 18179 5453 1 9 . 1 1 101 101 THR CA C 136 62.123 62.123 62.703 -0.580 18179 5454 1 9 . 1 1 101 101 THR CB C 136 70.407 70.407 68.241 2.166 18179 5455 1 9 . 1 1 101 101 THR H H 136 7.022 7.022 7.411 -0.389 18179 5456 1 9 . 1 1 102 102 VAL N N 137 129.098 129.098 122.980 6.118 18179 5457 1 9 . 1 1 102 102 VAL HA H 137 3.874 3.874 4.060 -0.186 18179 5458 1 9 . 1 1 102 102 VAL C C 137 177.079 177.079 175.559 1.520 18179 5459 1 9 . 1 1 102 102 VAL CA C 137 64.163 64.163 62.147 2.016 18179 5460 1 9 . 1 1 102 102 VAL CB C 137 31.858 31.858 32.168 -0.310 18179 5461 1 9 . 1 1 102 102 VAL H H 137 9.039 9.039 8.184 0.855 18179 5462 1 9 . 1 1 103 103 ARG N N 138 128.421 128.421 129.492 -1.071 18179 5463 1 9 . 1 1 103 103 ARG HA H 138 4.724 4.724 4.618 0.106 18179 5464 1 9 . 1 1 103 103 ARG C C 138 177.315 177.315 175.365 1.950 18179 5465 1 9 . 1 1 103 103 ARG CA C 138 50.845 50.845 55.387 -4.542 18179 5466 1 9 . 1 1 103 103 ARG CB C 138 25.210 25.210 29.833 -4.623 18179 5467 1 9 . 1 1 103 103 ARG H H 138 9.355 9.355 9.055 0.300 18179 5468 1 9 . 1 1 104 104 ALA N N 139 130.638 130.638 126.671 3.967 18179 5469 1 9 . 1 1 104 104 ALA HA H 139 4.128 4.128 4.575 -0.447 18179 5470 1 9 . 1 1 104 104 ALA C C 139 170.819 170.819 177.012 -6.193 18179 5471 1 9 . 1 1 104 104 ALA CA C 139 53.517 53.517 51.972 1.545 18179 5472 1 9 . 1 1 104 104 ALA CB C 139 18.047 18.047 19.557 -1.510 18179 5473 1 9 . 1 1 104 104 ALA H H 139 8.340 8.340 8.248 0.092 18179 5474 1 9 . 1 1 105 105 ASP N N 140 113.599 113.599 115.637 -2.038 18179 5475 1 9 . 1 1 105 105 ASP HA H 140 4.356 4.356 4.464 -0.108 18179 5476 1 9 . 1 1 105 105 ASP C C 140 175.173 175.173 175.124 0.049 18179 5477 1 9 . 1 1 105 105 ASP CA C 140 54.097 54.097 54.695 -0.598 18179 5478 1 9 . 1 1 105 105 ASP CB C 140 39.219 39.219 40.008 -0.789 18179 5479 1 9 . 1 1 105 105 ASP H H 140 9.653 9.653 8.282 1.371 18179 5480 1 9 . 1 1 106 106 ILE N N 141 122.867 122.867 118.699 4.168 18179 5481 1 9 . 1 1 106 106 ILE HA H 141 4.332 4.332 3.998 0.334 18179 5482 1 9 . 1 1 106 106 ILE C C 141 174.778 174.778 175.891 -1.113 18179 5483 1 9 . 1 1 106 106 ILE CA C 141 62.464 62.464 62.079 0.385 18179 5484 1 9 . 1 1 106 106 ILE CB C 141 36.210 36.210 37.488 -1.278 18179 5485 1 9 . 1 1 106 106 ILE H H 141 7.541 7.541 7.796 -0.255 18179 5486 1 9 . 1 1 107 107 THR N N 142 117.525 117.525 118.761 -1.236 18179 5487 1 9 . 1 1 107 107 THR HA H 142 4.721 4.721 4.490 0.231 18179 5488 1 9 . 1 1 107 107 THR C C 142 175.898 175.898 174.550 1.348 18179 5489 1 9 . 1 1 107 107 THR CA C 142 59.199 59.199 61.716 -2.517 18179 5490 1 9 . 1 1 107 107 THR CB C 142 71.817 71.817 69.494 2.323 18179 5491 1 9 . 1 1 107 107 THR H H 142 7.816 7.816 8.472 -0.656 18179 5492 1 9 . 1 1 108 108 GLY N N 143 109.853 109.853 113.587 -3.734 18179 5493 1 9 . 1 1 108 108 GLY C C 143 174.389 174.389 174.323 0.066 18179 5494 1 9 . 1 1 108 108 GLY CA C 143 44.291 44.291 45.886 -1.595 18179 5495 1 9 . 1 1 108 108 GLY H H 143 8.891 8.891 8.627 0.264 18179 5496 1 9 . 1 1 109 109 ARG N N 144 116.076 116.076 120.189 -4.113 18179 5497 1 9 . 1 1 109 109 ARG HA H 144 4.006 4.006 3.975 0.031 18179 5498 1 9 . 1 1 109 109 ARG C C 144 176.521 176.521 174.707 1.814 18179 5499 1 9 . 1 1 109 109 ARG CA C 144 55.989 55.989 57.983 -1.994 18179 5500 1 9 . 1 1 109 109 ARG CB C 144 30.851 30.851 29.370 1.481 18179 5501 1 9 . 1 1 109 109 ARG H H 144 8.108 8.108 8.373 -0.265 18179 5502 1 9 . 1 1 110 110 TYR N N 145 123.010 123.010 119.244 3.766 18179 5503 1 9 . 1 1 110 110 TYR HA H 145 4.506 4.506 4.664 -0.158 18179 5504 1 9 . 1 1 110 110 TYR C C 145 178.395 178.395 175.280 3.115 18179 5505 1 9 . 1 1 110 110 TYR CA C 145 57.217 57.217 57.453 -0.236 18179 5506 1 9 . 1 1 110 110 TYR CB C 145 37.232 37.232 39.231 -1.999 18179 5507 1 9 . 1 1 110 110 TYR H H 145 8.825 8.825 8.036 0.789 18179 5508 1 9 . 1 1 111 111 SER N N 146 120.152 120.152 117.729 2.423 18179 5509 1 9 . 1 1 111 111 SER HA H 146 3.948 3.948 4.049 -0.101 18179 5510 1 9 . 1 1 111 111 SER C C 146 174.939 174.939 175.152 -0.213 18179 5511 1 9 . 1 1 111 111 SER CA C 146 60.850 60.850 60.943 -0.093 18179 5512 1 9 . 1 1 111 111 SER CB C 146 62.776 62.776 63.549 -0.773 18179 5513 1 9 . 1 1 111 111 SER H H 146 8.616 8.616 8.614 0.002 18179 5514 1 9 . 1 1 112 112 ASN N N 147 116.146 116.146 115.689 0.457 18179 5515 1 9 . 1 1 112 112 ASN HA H 147 4.558 4.558 4.631 -0.073 18179 5516 1 9 . 1 1 112 112 ASN C C 147 173.693 173.693 173.785 -0.092 18179 5517 1 9 . 1 1 112 112 ASN CA C 147 53.209 53.209 53.727 -0.519 18179 5518 1 9 . 1 1 112 112 ASN CB C 147 37.534 37.534 39.253 -1.719 18179 5519 1 9 . 1 1 112 112 ASN H H 147 8.374 8.374 7.891 0.483 18179 5520 1 9 . 1 1 113 113 ARG N N 148 121.673 121.673 121.117 0.556 18179 5521 1 9 . 1 1 113 113 ARG HA H 148 4.226 4.226 4.227 -0.001 18179 5522 1 9 . 1 1 113 113 ARG C C 148 176.358 176.358 174.716 1.642 18179 5523 1 9 . 1 1 113 113 ARG CA C 148 55.251 55.251 55.544 -0.293 18179 5524 1 9 . 1 1 113 113 ARG CB C 148 30.973 30.973 30.854 0.119 18179 5525 1 9 . 1 1 113 113 ARG H H 148 6.782 6.782 7.879 -1.097 18179 5526 1 9 . 1 1 114 114 LEU N N 149 125.966 125.966 123.239 2.727 18179 5527 1 9 . 1 1 114 114 LEU HA H 149 3.776 3.776 4.347 -0.571 18179 5528 1 9 . 1 1 114 114 LEU C C 149 175.787 175.787 175.721 0.066 18179 5529 1 9 . 1 1 114 114 LEU CA C 149 57.640 57.640 54.645 2.995 18179 5530 1 9 . 1 1 114 114 LEU CB C 149 43.153 43.153 43.117 0.036 18179 5531 1 9 . 1 1 114 114 LEU H H 149 9.976 9.976 8.164 1.812 18179 5532 1 9 . 1 1 115 115 TYR N N 150 115.137 115.137 119.681 -4.544 18179 5533 1 9 . 1 1 115 115 TYR HA H 150 4.947 4.947 4.608 0.339 18179 5534 1 9 . 1 1 115 115 TYR C C 150 174.449 174.449 174.390 0.059 18179 5535 1 9 . 1 1 115 115 TYR CA C 150 55.986 55.986 57.670 -1.684 18179 5536 1 9 . 1 1 115 115 TYR CB C 150 38.660 38.660 38.350 0.310 18179 5537 1 9 . 1 1 115 115 TYR H H 150 8.272 8.272 7.540 0.732 18179 5538 1 9 . 1 1 116 116 ALA N N 151 121.349 121.349 127.054 -5.705 18179 5539 1 9 . 1 1 116 116 ALA HA H 151 5.086 5.086 4.607 0.479 18179 5540 1 9 . 1 1 116 116 ALA C C 151 177.541 177.541 175.229 2.312 18179 5541 1 9 . 1 1 116 116 ALA CA C 151 51.614 51.614 51.652 -0.038 18179 5542 1 9 . 1 1 116 116 ALA CB C 151 21.262 21.262 21.299 -0.037 18179 5543 1 9 . 1 1 116 116 ALA H H 151 7.515 7.515 8.242 -0.727 18179 5544 1 9 . 1 1 117 117 TYR N N 152 115.287 115.287 113.853 1.434 18179 5545 1 9 . 1 1 117 117 TYR HA H 152 4.693 4.693 4.728 -0.035 18179 5546 1 9 . 1 1 117 117 TYR C C 152 173.749 173.749 174.420 -0.671 18179 5547 1 9 . 1 1 117 117 TYR CA C 152 58.142 58.142 58.071 0.071 18179 5548 1 9 . 1 1 117 117 TYR CB C 152 42.827 42.827 39.503 3.324 18179 5549 1 9 . 1 1 117 117 TYR H H 152 6.916 6.916 8.304 -1.388 18179 5550 1 9 . 1 1 118 118 GLU N N 153 122.624 122.624 122.977 -0.353 18179 5551 1 9 . 1 1 118 118 GLU HA H 153 4.951 4.951 4.348 0.603 18179 5552 1 9 . 1 1 118 118 GLU C C 153 175.895 175.895 175.759 0.136 18179 5553 1 9 . 1 1 118 118 GLU CA C 153 54.029 54.029 54.624 -0.595 18179 5554 1 9 . 1 1 118 118 GLU CB C 153 29.513 29.513 29.320 0.193 18179 5555 1 9 . 1 1 118 118 GLU H H 153 9.508 9.508 7.774 1.734 18179 5556 1 9 . 1 1 119 119 PRO HA H 154 4.119 4.119 4.268 -0.149 18179 5557 1 9 . 1 1 119 119 PRO C C 154 176.457 176.457 176.715 -0.258 18179 5558 1 9 . 1 1 119 119 PRO CA C 154 66.240 66.240 64.881 1.359 18179 5559 1 9 . 1 1 119 119 PRO CB C 154 31.682 31.682 31.719 -0.037 18179 5560 1 9 . 1 1 120 120 ALA N N 155 114.721 114.721 118.133 -3.412 18179 5561 1 9 . 1 1 120 120 ALA HA H 155 4.372 4.372 4.215 0.157 18179 5562 1 9 . 1 1 120 120 ALA C C 155 178.528 178.528 178.109 0.419 18179 5563 1 9 . 1 1 120 120 ALA CA C 155 53.148 53.148 53.790 -0.642 18179 5564 1 9 . 1 1 120 120 ALA CB C 155 18.782 18.782 19.125 -0.344 18179 5565 1 9 . 1 1 120 120 ALA H H 155 7.697 7.697 7.711 -0.014 18179 5566 1 9 . 1 1 121 121 ASP N N 156 117.502 117.502 117.895 -0.393 18179 5567 1 9 . 1 1 121 121 ASP HA H 156 5.154 5.154 5.005 0.149 18179 5568 1 9 . 1 1 121 121 ASP C C 156 176.756 176.756 176.967 -0.211 18179 5569 1 9 . 1 1 121 121 ASP CA C 156 54.742 54.742 53.988 0.754 18179 5570 1 9 . 1 1 121 121 ASP CB C 156 42.326 42.326 41.176 1.150 18179 5571 1 9 . 1 1 121 121 ASP H H 156 8.493 8.493 7.839 0.654 18179 5572 1 9 . 1 1 122 122 THR N N 157 111.372 111.372 113.500 -2.128 18179 5573 1 9 . 1 1 122 122 THR HA H 157 3.738 3.738 3.826 -0.088 18179 5574 1 9 . 1 1 122 122 THR C C 157 176.023 176.023 175.935 0.088 18179 5575 1 9 . 1 1 122 122 THR CA C 157 66.673 66.673 66.251 0.422 18179 5576 1 9 . 1 1 122 122 THR CB C 157 67.967 67.967 68.879 -0.912 18179 5577 1 9 . 1 1 122 122 THR H H 157 7.428 7.428 7.550 -0.122 18179 5578 1 9 . 1 1 123 123 ALA N N 158 123.853 123.853 124.211 -0.358 18179 5579 1 9 . 1 1 123 123 ALA HA H 158 4.133 4.133 4.010 0.123 18179 5580 1 9 . 1 1 123 123 ALA C C 158 179.987 179.987 179.494 0.493 18179 5581 1 9 . 1 1 123 123 ALA CA C 158 55.545 55.545 54.816 0.729 18179 5582 1 9 . 1 1 123 123 ALA CB C 158 17.458 17.458 17.975 -0.517 18179 5583 1 9 . 1 1 123 123 ALA H H 158 8.663 8.663 8.296 0.367 18179 5584 1 9 . 1 1 124 124 LEU N N 159 121.199 121.199 119.092 2.107 18179 5585 1 9 . 1 1 124 124 LEU HA H 159 4.229 4.229 3.844 0.385 18179 5586 1 9 . 1 1 124 124 LEU C C 159 178.342 178.342 179.023 -0.681 18179 5587 1 9 . 1 1 124 124 LEU CA C 159 57.329 57.329 57.525 -0.196 18179 5588 1 9 . 1 1 124 124 LEU CB C 159 41.956 41.956 41.489 0.467 18179 5589 1 9 . 1 1 124 124 LEU H H 159 7.444 7.444 7.522 -0.078 18179 5590 1 9 . 1 1 125 125 LEU N N 160 119.836 119.836 119.236 0.600 18179 5591 1 9 . 1 1 125 125 LEU HA H 160 3.963 3.963 3.848 0.115 18179 5592 1 9 . 1 1 125 125 LEU C C 160 178.168 178.168 179.602 -1.434 18179 5593 1 9 . 1 1 125 125 LEU CA C 160 58.475 58.475 57.824 0.651 18179 5594 1 9 . 1 1 125 125 LEU CB C 160 40.915 40.915 41.162 -0.247 18179 5595 1 9 . 1 1 125 125 LEU H H 160 8.430 8.430 7.395 1.035 18179 5596 1 9 . 1 1 126 126 LEU N N 161 120.046 120.046 120.012 0.034 18179 5597 1 9 . 1 1 126 126 LEU HA H 161 4.000 4.000 3.857 0.143 18179 5598 1 9 . 1 1 126 126 LEU C C 161 178.848 178.848 178.532 0.316 18179 5599 1 9 . 1 1 126 126 LEU CA C 161 58.524 58.524 58.152 0.372 18179 5600 1 9 . 1 1 126 126 LEU CB C 161 42.005 42.005 41.465 0.540 18179 5601 1 9 . 1 1 126 126 LEU H H 161 8.127 8.127 8.516 -0.389 18179 5602 1 9 . 1 1 127 127 ASP N N 162 119.057 119.057 118.652 0.405 18179 5603 1 9 . 1 1 127 127 ASP HA H 162 4.267 4.267 4.281 -0.014 18179 5604 1 9 . 1 1 127 127 ASP C C 162 179.299 179.299 178.427 0.872 18179 5605 1 9 . 1 1 127 127 ASP CA C 162 57.699 57.699 57.574 0.126 18179 5606 1 9 . 1 1 127 127 ASP CB C 162 40.564 40.564 40.900 -0.336 18179 5607 1 9 . 1 1 127 127 ASP H H 162 7.872 7.872 8.269 -0.397 18179 5608 1 9 . 1 1 128 128 ASN N N 163 122.268 122.268 118.832 3.436 18179 5609 1 9 . 1 1 128 128 ASN HA H 163 4.423 4.423 4.331 0.092 18179 5610 1 9 . 1 1 128 128 ASN C C 163 177.256 177.256 177.984 -0.728 18179 5611 1 9 . 1 1 128 128 ASN CA C 163 54.502 54.502 56.060 -1.558 18179 5612 1 9 . 1 1 128 128 ASN CB C 163 36.821 36.821 38.252 -1.431 18179 5613 1 9 . 1 1 128 128 ASN H H 163 8.711 8.711 8.565 0.146 18179 5614 1 9 . 1 1 129 129 MET N N 164 122.448 122.448 118.408 4.040 18179 5615 1 9 . 1 1 129 129 MET HA H 164 3.583 3.583 4.062 -0.479 18179 5616 1 9 . 1 1 129 129 MET C C 164 178.272 178.272 178.477 -0.205 18179 5617 1 9 . 1 1 129 129 MET CA C 164 59.617 59.617 59.368 0.249 18179 5618 1 9 . 1 1 129 129 MET CB C 164 34.481 34.481 32.760 1.721 18179 5619 1 9 . 1 1 129 129 MET H H 164 8.704 8.704 8.693 0.011 18179 5620 1 9 . 1 1 130 130 LYS N N 165 117.243 117.243 120.222 -2.979 18179 5621 1 9 . 1 1 130 130 LYS HA H 165 3.869 3.869 3.915 -0.046 18179 5622 1 9 . 1 1 130 130 LYS C C 165 180.050 180.050 178.392 1.658 18179 5623 1 9 . 1 1 130 130 LYS CA C 165 60.517 60.517 58.747 1.770 18179 5624 1 9 . 1 1 130 130 LYS CB C 165 31.836 31.836 32.008 -0.172 18179 5625 1 9 . 1 1 130 130 LYS H H 165 7.767 7.767 7.490 0.277 18179 5626 1 9 . 1 1 131 131 LYS N N 166 120.486 120.486 117.261 3.225 18179 5627 1 9 . 1 1 131 131 LYS HA H 166 3.853 3.853 4.037 -0.184 18179 5628 1 9 . 1 1 131 131 LYS C C 166 179.232 179.232 178.868 0.364 18179 5629 1 9 . 1 1 131 131 LYS CA C 166 60.171 60.171 58.118 2.053 18179 5630 1 9 . 1 1 131 131 LYS CB C 166 32.783 32.783 32.364 0.419 18179 5631 1 9 . 1 1 131 131 LYS H H 166 7.914 7.914 7.931 -0.017 18179 5632 1 9 . 1 1 132 132 ALA N N 167 122.426 122.426 120.836 1.590 18179 5633 1 9 . 1 1 132 132 ALA HA H 167 3.625 3.625 3.224 0.401 18179 5634 1 9 . 1 1 132 132 ALA C C 167 177.616 177.616 178.499 -0.883 18179 5635 1 9 . 1 1 132 132 ALA CA C 167 54.246 54.246 53.328 0.918 18179 5636 1 9 . 1 1 132 132 ALA CB C 167 18.261 18.261 18.296 -0.035 18179 5637 1 9 . 1 1 132 132 ALA H H 167 7.801 7.801 7.981 -0.180 18179 5638 1 9 . 1 1 133 133 LEU N N 168 113.735 113.735 116.584 -2.849 18179 5639 1 9 . 1 1 133 133 LEU HA H 168 3.747 3.747 4.029 -0.282 18179 5640 1 9 . 1 1 133 133 LEU C C 168 177.322 177.322 176.100 1.222 18179 5641 1 9 . 1 1 133 133 LEU CA C 168 55.892 55.892 55.435 0.457 18179 5642 1 9 . 1 1 133 133 LEU CB C 168 42.159 42.159 42.200 -0.041 18179 5643 1 9 . 1 1 133 133 LEU H H 168 7.010 7.010 7.261 -0.251 18179 5644 1 9 . 1 1 134 134 LYS N N 169 123.034 123.034 118.466 4.568 18179 5645 1 9 . 1 1 134 134 LYS HA H 169 4.331 4.331 4.274 0.057 18179 5646 1 9 . 1 1 134 134 LYS C C 169 174.307 174.307 174.299 0.008 18179 5647 1 9 . 1 1 134 134 LYS CA C 169 55.382 55.382 55.908 -0.526 18179 5648 1 9 . 1 1 134 134 LYS CB C 169 29.718 29.718 32.648 -2.929 18179 5649 1 9 . 1 1 134 134 LYS H H 169 7.202 7.202 6.910 0.292 18179 5650 1 9 . 1 1 135 135 LEU N N 170 120.490 120.490 126.505 -6.015 18179 5651 1 9 . 1 1 135 135 LEU HA H 170 3.980 3.980 4.409 -0.429 18179 5652 1 9 . 1 1 135 135 LEU C C 170 178.427 178.427 175.263 3.164 18179 5653 1 9 . 1 1 135 135 LEU CA C 170 54.884 54.884 54.036 0.848 18179 5654 1 9 . 1 1 135 135 LEU CB C 170 40.903 40.903 41.063 -0.160 18179 5655 1 9 . 1 1 135 135 LEU H H 170 7.334 7.334 8.476 -1.142 18179 5656 1 9 . 1 1 136 136 LEU N N 171 120.084 120.084 129.248 -9.164 18179 5657 1 9 . 1 1 136 136 LEU HA H 171 4.040 4.040 4.586 -0.546 18179 5658 1 9 . 1 1 136 136 LEU C C 171 178.231 178.231 175.242 2.989 18179 5659 1 9 . 1 1 136 136 LEU CA C 171 55.750 55.750 54.259 1.491 18179 5660 1 9 . 1 1 136 136 LEU CB C 171 41.734 41.734 41.474 0.260 18179 5661 1 9 . 1 1 136 136 LEU H H 171 8.614 8.614 8.158 0.456 18179 5662 1 9 . 1 1 137 137 LYS N N 172 121.059 121.059 126.530 -5.471 18179 5663 1 9 . 1 1 137 137 LYS HA H 172 4.333 4.333 4.534 -0.201 18179 5664 1 9 . 1 1 137 137 LYS C C 172 174.388 174.388 175.751 -1.363 18179 5665 1 9 . 1 1 137 137 LYS CA C 172 55.903 55.903 55.876 0.027 18179 5666 1 9 . 1 1 137 137 LYS CB C 172 32.681 32.681 32.639 0.042 18179 5667 1 9 . 1 1 137 137 LYS H H 172 8.468 8.468 8.343 0.125 18179 5668 1 9 . 1 1 138 138 THR N N 173 116.267 116.267 118.681 -2.414 18179 5669 1 9 . 1 1 138 138 THR HA H 173 4.261 4.261 4.491 -0.230 18179 5670 1 9 . 1 1 138 138 THR C C 173 174.267 174.267 174.764 -0.497 18179 5671 1 9 . 1 1 138 138 THR CA C 173 61.867 61.867 61.645 0.223 18179 5672 1 9 . 1 1 138 138 THR CB C 173 69.848 69.848 70.038 -0.190 18179 5673 1 9 . 1 1 138 138 THR H H 173 8.095 8.095 8.489 -0.394 18179 5674 1 9 . 1 1 139 139 GLU N N 174 123.648 123.648 127.086 -3.438 18179 5675 1 9 . 1 1 139 139 GLU HA H 174 4.288 4.288 4.333 -0.045 18179 5676 1 9 . 1 1 139 139 GLU C C 174 175.178 175.178 176.258 -1.080 18179 5677 1 9 . 1 1 139 139 GLU CA C 174 56.205 56.205 57.175 -0.970 18179 5678 1 9 . 1 1 139 139 GLU CB C 174 30.353 30.353 30.034 0.319 18179 5679 1 9 . 1 1 139 139 GLU H H 174 8.293 8.293 8.740 -0.447 18179 5680 1 10 . 1 1 17 17 LEU N N 52 120.529 120.529 120.959 -0.430 18179 5681 1 10 . 1 1 17 17 LEU HA H 52 4.317 4.317 4.598 -0.281 18179 5682 1 10 . 1 1 17 17 LEU CA C 52 53.456 53.456 55.174 -1.718 18179 5683 1 10 . 1 1 17 17 LEU CB C 52 42.494 42.494 42.411 0.083 18179 5684 1 10 . 1 1 17 17 LEU H H 52 7.103 7.103 8.651 -1.548 18179 5685 1 10 . 1 1 18 18 ILE CB C 53 36.458 36.458 39.619 -3.161 18179 5686 1 10 . 1 1 23 23 TYR HA H 58 4.359 4.359 4.102 0.257 18179 5687 1 10 . 1 1 23 23 TYR C C 58 176.387 176.387 176.980 -0.593 18179 5688 1 10 . 1 1 23 23 TYR CA C 58 59.597 59.597 61.434 -1.837 18179 5689 1 10 . 1 1 23 23 TYR CB C 58 38.572 38.572 38.808 -0.236 18179 5690 1 10 . 1 1 24 24 GLU N N 59 117.335 117.335 120.014 -2.679 18179 5691 1 10 . 1 1 24 24 GLU CA C 59 60.871 60.871 59.487 1.384 18179 5692 1 10 . 1 1 24 24 GLU CB C 59 28.494 28.494 28.827 -0.333 18179 5693 1 10 . 1 1 24 24 GLU H H 59 9.191 9.191 8.766 0.425 18179 5694 1 10 . 1 1 25 25 ALA N N 60 120.861 120.861 120.730 0.131 18179 5695 1 10 . 1 1 25 25 ALA CA C 60 54.555 54.555 54.457 0.098 18179 5696 1 10 . 1 1 25 25 ALA CB C 60 18.528 18.528 18.139 0.389 18179 5697 1 10 . 1 1 25 25 ALA H H 60 7.688 7.688 7.680 0.008 18179 5698 1 10 . 1 1 26 26 ALA N N 61 123.402 123.402 122.756 0.646 18179 5699 1 10 . 1 1 26 26 ALA HA H 61 3.900 3.900 3.988 -0.088 18179 5700 1 10 . 1 1 26 26 ALA CA C 61 55.346 55.346 55.026 0.320 18179 5701 1 10 . 1 1 26 26 ALA CB C 61 19.104 19.104 17.964 1.140 18179 5702 1 10 . 1 1 26 26 ALA H H 61 8.225 8.225 7.372 0.853 18179 5703 1 10 . 1 1 27 27 LEU N N 62 118.742 118.742 117.920 0.822 18179 5704 1 10 . 1 1 27 27 LEU HA H 62 3.700 3.700 3.906 -0.206 18179 5705 1 10 . 1 1 27 27 LEU C C 62 171.911 171.911 179.755 -7.844 18179 5706 1 10 . 1 1 27 27 LEU CA C 62 57.654 57.654 57.384 0.270 18179 5707 1 10 . 1 1 27 27 LEU CB C 62 41.905 41.905 41.571 0.334 18179 5708 1 10 . 1 1 27 27 LEU H H 62 8.336 8.336 7.416 0.920 18179 5709 1 10 . 1 1 28 28 TYR N N 63 117.594 117.594 119.635 -2.041 18179 5710 1 10 . 1 1 28 28 TYR HA H 63 4.007 4.007 4.125 -0.118 18179 5711 1 10 . 1 1 28 28 TYR C C 63 179.075 179.075 177.114 1.961 18179 5712 1 10 . 1 1 28 28 TYR CA C 63 61.769 61.769 61.301 0.468 18179 5713 1 10 . 1 1 28 28 TYR CB C 63 38.071 38.071 38.640 -0.569 18179 5714 1 10 . 1 1 28 28 TYR H H 63 7.279 7.279 7.424 -0.145 18179 5715 1 10 . 1 1 29 29 LYS N N 64 121.077 121.077 120.237 0.840 18179 5716 1 10 . 1 1 29 29 LYS HA H 64 3.663 3.663 3.863 -0.200 18179 5717 1 10 . 1 1 29 29 LYS C C 64 176.394 176.394 178.915 -2.521 18179 5718 1 10 . 1 1 29 29 LYS CA C 64 59.230 59.230 58.824 0.406 18179 5719 1 10 . 1 1 29 29 LYS CB C 64 32.573 32.573 32.125 0.448 18179 5720 1 10 . 1 1 29 29 LYS H H 64 8.472 8.472 8.413 0.059 18179 5721 1 10 . 1 1 30 30 SER N N 65 117.933 117.933 113.262 4.671 18179 5722 1 10 . 1 1 30 30 SER HA H 65 4.160 4.160 4.200 -0.040 18179 5723 1 10 . 1 1 30 30 SER C C 65 176.518 176.518 176.248 0.270 18179 5724 1 10 . 1 1 30 30 SER CA C 65 61.706 61.706 61.338 0.368 18179 5725 1 10 . 1 1 30 30 SER CB C 65 64.022 64.022 62.974 1.048 18179 5726 1 10 . 1 1 30 30 SER H H 65 8.500 8.500 8.192 0.308 18179 5727 1 10 . 1 1 31 31 LYS N N 66 117.248 117.248 121.899 -4.651 18179 5728 1 10 . 1 1 31 31 LYS HA H 66 4.301 4.301 4.036 0.265 18179 5729 1 10 . 1 1 31 31 LYS C C 66 179.721 179.721 178.057 1.664 18179 5730 1 10 . 1 1 31 31 LYS CA C 66 59.165 59.165 58.745 0.420 18179 5731 1 10 . 1 1 31 31 LYS CB C 66 32.372 32.372 32.040 0.332 18179 5732 1 10 . 1 1 31 31 LYS H H 66 8.020 8.020 7.347 0.673 18179 5733 1 10 . 1 1 32 32 THR N N 67 109.772 109.772 111.854 -2.082 18179 5734 1 10 . 1 1 32 32 THR HA H 67 3.883 3.883 4.118 -0.235 18179 5735 1 10 . 1 1 32 32 THR C C 67 176.237 176.237 175.948 0.289 18179 5736 1 10 . 1 1 32 32 THR CA C 67 64.813 64.813 63.965 0.848 18179 5737 1 10 . 1 1 32 32 THR CB C 67 69.445 69.445 68.862 0.583 18179 5738 1 10 . 1 1 32 32 THR H H 67 7.844 7.844 7.453 0.391 18179 5739 1 10 . 1 1 33 33 SER N N 68 115.610 115.610 114.255 1.355 18179 5740 1 10 . 1 1 33 33 SER HA H 68 4.369 4.369 4.466 -0.097 18179 5741 1 10 . 1 1 33 33 SER C C 68 174.628 174.628 175.013 -0.385 18179 5742 1 10 . 1 1 33 33 SER CA C 68 59.242 59.242 58.266 0.976 18179 5743 1 10 . 1 1 33 33 SER CB C 68 65.166 65.166 64.538 0.628 18179 5744 1 10 . 1 1 33 33 SER H H 68 8.047 8.047 7.515 0.532 18179 5745 1 10 . 1 1 34 34 ASN N N 69 110.215 110.215 118.754 -8.539 18179 5746 1 10 . 1 1 34 34 ASN HA H 69 4.181 4.181 4.390 -0.209 18179 5747 1 10 . 1 1 34 34 ASN C C 69 173.253 173.253 174.407 -1.154 18179 5748 1 10 . 1 1 34 34 ASN CA C 69 54.302 54.302 54.417 -0.115 18179 5749 1 10 . 1 1 34 34 ASN CB C 69 38.506 38.506 37.918 0.588 18179 5750 1 10 . 1 1 34 34 ASN H H 69 8.061 8.061 7.936 0.125 18179 5751 1 10 . 1 1 35 35 LYS N N 70 117.312 117.312 119.462 -2.150 18179 5752 1 10 . 1 1 35 35 LYS HA H 70 4.676 4.676 4.703 -0.027 18179 5753 1 10 . 1 1 35 35 LYS CA C 70 53.385 53.385 54.169 -0.784 18179 5754 1 10 . 1 1 35 35 LYS CB C 70 34.049 34.049 32.965 1.084 18179 5755 1 10 . 1 1 35 35 LYS H H 70 7.589 7.589 7.579 0.010 18179 5756 1 10 . 1 1 36 36 PRO HA H 71 4.371 4.371 4.287 0.084 18179 5757 1 10 . 1 1 36 36 PRO C C 71 172.189 172.189 175.502 -3.313 18179 5758 1 10 . 1 1 36 36 PRO CA C 71 62.356 62.356 63.294 -0.938 18179 5759 1 10 . 1 1 36 36 PRO CB C 71 31.785 31.785 32.429 -0.644 18179 5760 1 10 . 1 1 37 37 LEU N N 72 122.894 122.894 123.872 -0.978 18179 5761 1 10 . 1 1 37 37 LEU HA H 72 5.392 5.392 4.566 0.826 18179 5762 1 10 . 1 1 37 37 LEU C C 72 174.422 174.422 174.674 -0.252 18179 5763 1 10 . 1 1 37 37 LEU CA C 72 52.656 52.656 52.972 -0.316 18179 5764 1 10 . 1 1 37 37 LEU CB C 72 45.220 45.220 44.383 0.837 18179 5765 1 10 . 1 1 37 37 LEU H H 72 8.936 8.936 7.722 1.214 18179 5766 1 10 . 1 1 38 38 MET N N 73 128.922 128.922 124.875 4.047 18179 5767 1 10 . 1 1 38 38 MET C C 73 172.488 172.488 174.842 -2.354 18179 5768 1 10 . 1 1 38 38 MET CA C 73 54.806 54.806 54.005 0.801 18179 5769 1 10 . 1 1 38 38 MET CB C 73 35.127 35.127 34.653 0.474 18179 5770 1 10 . 1 1 38 38 MET H H 73 8.965 8.965 8.480 0.485 18179 5771 1 10 . 1 1 39 39 ILE N N 74 124.016 124.016 123.296 0.720 18179 5772 1 10 . 1 1 39 39 ILE HA H 74 4.819 4.819 4.566 0.253 18179 5773 1 10 . 1 1 39 39 ILE C C 74 175.018 175.018 174.478 0.540 18179 5774 1 10 . 1 1 39 39 ILE CA C 74 59.688 59.688 60.083 -0.395 18179 5775 1 10 . 1 1 39 39 ILE CB C 74 40.407 40.407 38.013 2.394 18179 5776 1 10 . 1 1 39 39 ILE H H 74 8.727 8.727 8.901 -0.174 18179 5777 1 10 . 1 1 40 40 ILE N N 75 126.837 126.837 127.528 -0.691 18179 5778 1 10 . 1 1 40 40 ILE HA H 75 4.038 4.038 4.367 -0.329 18179 5779 1 10 . 1 1 40 40 ILE C C 75 175.282 175.282 174.945 0.337 18179 5780 1 10 . 1 1 40 40 ILE CA C 75 60.408 60.408 59.526 0.882 18179 5781 1 10 . 1 1 40 40 ILE CB C 75 40.028 40.028 36.623 3.405 18179 5782 1 10 . 1 1 40 40 ILE H H 75 8.587 8.587 8.411 0.176 18179 5783 1 10 . 1 1 41 41 HIS N N 76 128.633 128.633 127.320 1.313 18179 5784 1 10 . 1 1 41 41 HIS CA C 76 56.453 56.453 54.161 2.292 18179 5785 1 10 . 1 1 41 41 HIS CB C 76 29.368 29.368 33.151 -3.783 18179 5786 1 10 . 1 1 41 41 HIS H H 76 9.145 9.145 7.916 1.229 18179 5787 1 10 . 1 1 42 42 HIS HA H 77 4.822 4.822 4.686 0.136 18179 5788 1 10 . 1 1 42 42 HIS C C 77 170.942 170.942 172.211 -1.269 18179 5789 1 10 . 1 1 42 42 HIS CA C 77 54.441 54.441 55.050 -0.609 18179 5790 1 10 . 1 1 42 42 HIS CB C 77 34.768 34.768 31.764 3.004 18179 5791 1 10 . 1 1 43 43 LEU N N 78 114.526 114.526 119.067 -4.541 18179 5792 1 10 . 1 1 43 43 LEU HA H 78 4.540 4.540 4.458 0.082 18179 5793 1 10 . 1 1 43 43 LEU C C 78 177.855 177.855 176.178 1.677 18179 5794 1 10 . 1 1 43 43 LEU CA C 78 54.020 54.020 53.386 0.634 18179 5795 1 10 . 1 1 43 43 LEU CB C 78 46.643 46.643 46.144 0.499 18179 5796 1 10 . 1 1 43 43 LEU H H 78 7.077 7.077 8.387 -1.310 18179 5797 1 10 . 1 1 44 44 ASP N N 79 123.675 123.675 119.245 4.430 18179 5798 1 10 . 1 1 44 44 ASP HA H 79 4.452 4.452 4.715 -0.263 18179 5799 1 10 . 1 1 44 44 ASP C C 79 177.872 177.872 177.267 0.605 18179 5800 1 10 . 1 1 44 44 ASP CA C 79 57.458 57.458 55.978 1.480 18179 5801 1 10 . 1 1 44 44 ASP CB C 79 40.739 40.739 41.478 -0.739 18179 5802 1 10 . 1 1 44 44 ASP H H 79 8.783 8.783 8.570 0.213 18179 5803 1 10 . 1 1 45 45 GLU N N 80 115.578 115.578 118.272 -2.694 18179 5804 1 10 . 1 1 45 45 GLU HA H 80 4.156 4.156 4.103 0.053 18179 5805 1 10 . 1 1 45 45 GLU C C 80 175.108 175.108 176.290 -1.182 18179 5806 1 10 . 1 1 45 45 GLU CA C 80 56.661 56.661 57.882 -1.221 18179 5807 1 10 . 1 1 45 45 GLU CB C 80 28.604 28.604 29.659 -1.055 18179 5808 1 10 . 1 1 45 45 GLU H H 80 9.146 9.146 8.193 0.953 18179 5809 1 10 . 1 1 46 46 CYS N N 81 125.642 125.642 119.120 6.522 18179 5810 1 10 . 1 1 46 46 CYS HA H 81 4.814 4.814 4.631 0.183 18179 5811 1 10 . 1 1 46 46 CYS C C 81 175.453 175.453 173.507 1.946 18179 5812 1 10 . 1 1 46 46 CYS CA C 81 56.298 56.298 56.813 -0.515 18179 5813 1 10 . 1 1 46 46 CYS CB C 81 30.378 30.378 27.214 3.164 18179 5814 1 10 . 1 1 46 46 CYS H H 81 7.146 7.146 7.638 -0.492 18179 5815 1 10 . 1 1 47 47 PRO HA H 82 4.311 4.311 4.138 0.173 18179 5816 1 10 . 1 1 47 47 PRO CA C 82 64.536 64.536 63.793 0.743 18179 5817 1 10 . 1 1 47 47 PRO CB C 82 32.069 32.069 31.660 0.409 18179 5818 1 10 . 1 1 48 48 HIS N N 83 124.416 124.416 121.942 2.474 18179 5819 1 10 . 1 1 48 48 HIS HA H 83 4.511 4.511 4.422 0.089 18179 5820 1 10 . 1 1 48 48 HIS C C 83 178.820 178.820 177.277 1.543 18179 5821 1 10 . 1 1 48 48 HIS CA C 83 59.042 59.042 57.143 1.899 18179 5822 1 10 . 1 1 48 48 HIS CB C 83 28.921 28.921 30.052 -1.131 18179 5823 1 10 . 1 1 48 48 HIS H H 83 8.936 8.936 8.160 0.776 18179 5824 1 10 . 1 1 49 49 SER N N 84 129.973 129.973 118.985 10.988 18179 5825 1 10 . 1 1 49 49 SER HA H 84 4.152 4.152 4.072 0.080 18179 5826 1 10 . 1 1 49 49 SER C C 84 175.397 175.397 175.491 -0.094 18179 5827 1 10 . 1 1 49 49 SER CA C 84 63.873 63.873 62.041 1.832 18179 5828 1 10 . 1 1 49 49 SER CB C 84 65.516 65.516 62.746 2.770 18179 5829 1 10 . 1 1 49 49 SER H H 84 11.408 11.408 9.151 2.257 18179 5830 1 10 . 1 1 50 50 GLN N N 85 118.214 118.214 119.710 -1.496 18179 5831 1 10 . 1 1 50 50 GLN HA H 85 3.701 3.701 4.167 -0.466 18179 5832 1 10 . 1 1 50 50 GLN C C 85 178.213 178.213 177.669 0.544 18179 5833 1 10 . 1 1 50 50 GLN CA C 85 58.201 58.201 58.110 0.091 18179 5834 1 10 . 1 1 50 50 GLN CB C 85 27.294 27.294 28.051 -0.757 18179 5835 1 10 . 1 1 50 50 GLN H H 85 8.192 8.192 8.029 0.163 18179 5836 1 10 . 1 1 51 51 ALA N N 86 121.790 121.790 123.168 -1.378 18179 5837 1 10 . 1 1 51 51 ALA HA H 86 4.099 4.099 4.169 -0.070 18179 5838 1 10 . 1 1 51 51 ALA C C 86 180.512 180.512 179.487 1.025 18179 5839 1 10 . 1 1 51 51 ALA CA C 86 54.742 54.742 54.856 -0.114 18179 5840 1 10 . 1 1 51 51 ALA CB C 86 18.559 18.559 18.424 0.135 18179 5841 1 10 . 1 1 51 51 ALA H H 86 7.748 7.748 8.203 -0.455 18179 5842 1 10 . 1 1 52 52 LEU N N 87 118.528 118.528 118.990 -0.462 18179 5843 1 10 . 1 1 52 52 LEU HA H 87 4.076 4.076 4.288 -0.212 18179 5844 1 10 . 1 1 52 52 LEU CA C 87 57.266 57.266 56.612 0.653 18179 5845 1 10 . 1 1 52 52 LEU CB C 87 41.947 41.947 41.942 0.005 18179 5846 1 10 . 1 1 52 52 LEU H H 87 7.918 7.918 7.742 0.176 18179 5847 1 10 . 1 1 53 53 LYS N N 88 120.398 120.398 120.133 0.265 18179 5848 1 10 . 1 1 53 53 LYS H H 88 7.932 7.932 7.828 0.104 18179 5849 1 10 . 1 1 54 54 LYS N N 89 115.219 115.219 119.213 -3.994 18179 5850 1 10 . 1 1 54 54 LYS HA H 89 3.790 3.790 4.058 -0.268 18179 5851 1 10 . 1 1 54 54 LYS C C 89 178.614 178.614 179.077 -0.463 18179 5852 1 10 . 1 1 54 54 LYS CA C 89 59.308 59.308 59.529 -0.221 18179 5853 1 10 . 1 1 54 54 LYS CB C 89 32.530 32.530 32.300 0.230 18179 5854 1 10 . 1 1 54 54 LYS H H 89 6.889 6.889 7.706 -0.817 18179 5855 1 10 . 1 1 55 55 VAL N N 90 110.991 110.991 119.842 -8.851 18179 5856 1 10 . 1 1 55 55 VAL HA H 90 4.049 4.049 3.845 0.204 18179 5857 1 10 . 1 1 55 55 VAL C C 90 178.054 178.054 177.303 0.751 18179 5858 1 10 . 1 1 55 55 VAL CA C 90 64.467 64.467 64.714 -0.247 18179 5859 1 10 . 1 1 55 55 VAL CB C 90 31.625 31.625 31.365 0.260 18179 5860 1 10 . 1 1 55 55 VAL H H 90 6.748 6.748 7.372 -0.624 18179 5861 1 10 . 1 1 56 56 PHE N N 91 124.010 124.010 121.476 2.534 18179 5862 1 10 . 1 1 56 56 PHE HA H 91 3.829 3.829 4.198 -0.369 18179 5863 1 10 . 1 1 56 56 PHE C C 91 177.496 177.496 175.888 1.608 18179 5864 1 10 . 1 1 56 56 PHE CA C 91 61.854 61.854 61.240 0.614 18179 5865 1 10 . 1 1 56 56 PHE CB C 91 41.828 41.828 39.121 2.707 18179 5866 1 10 . 1 1 56 56 PHE H H 91 8.722 8.722 8.397 0.325 18179 5867 1 10 . 1 1 57 57 ALA N N 92 118.444 118.444 119.304 -0.860 18179 5868 1 10 . 1 1 57 57 ALA HA H 92 4.185 4.185 4.044 0.141 18179 5869 1 10 . 1 1 57 57 ALA C C 92 180.660 180.660 178.353 2.307 18179 5870 1 10 . 1 1 57 57 ALA CA C 92 54.288 54.288 53.801 0.487 18179 5871 1 10 . 1 1 57 57 ALA CB C 92 18.487 18.487 18.886 -0.399 18179 5872 1 10 . 1 1 57 57 ALA H H 92 8.695 8.695 7.949 0.746 18179 5873 1 10 . 1 1 58 58 GLU N N 93 112.263 112.263 118.122 -5.859 18179 5874 1 10 . 1 1 58 58 GLU HA H 93 4.156 4.156 4.157 -0.001 18179 5875 1 10 . 1 1 58 58 GLU C C 93 175.641 175.641 177.061 -1.420 18179 5876 1 10 . 1 1 58 58 GLU CA C 93 55.883 55.883 57.889 -2.006 18179 5877 1 10 . 1 1 58 58 GLU CB C 93 30.495 30.495 30.558 -0.063 18179 5878 1 10 . 1 1 58 58 GLU H H 93 7.108 7.108 7.839 -0.731 18179 5879 1 10 . 1 1 59 59 ASN N N 94 120.422 120.422 119.449 0.973 18179 5880 1 10 . 1 1 59 59 ASN HA H 94 4.590 4.590 4.874 -0.284 18179 5881 1 10 . 1 1 59 59 ASN C C 94 174.151 174.151 175.071 -0.920 18179 5882 1 10 . 1 1 59 59 ASN CA C 94 54.056 54.056 52.601 1.455 18179 5883 1 10 . 1 1 59 59 ASN CB C 94 38.723 38.723 38.283 0.440 18179 5884 1 10 . 1 1 59 59 ASN H H 94 7.269 7.269 8.321 -1.052 18179 5885 1 10 . 1 1 60 60 LYS N N 95 127.497 127.497 124.399 3.098 18179 5886 1 10 . 1 1 60 60 LYS HA H 95 3.770 3.770 3.869 -0.099 18179 5887 1 10 . 1 1 60 60 LYS C C 95 178.959 178.959 177.888 1.071 18179 5888 1 10 . 1 1 60 60 LYS CA C 95 59.337 59.337 59.888 -0.551 18179 5889 1 10 . 1 1 60 60 LYS CB C 95 32.170 32.170 32.339 -0.169 18179 5890 1 10 . 1 1 60 60 LYS H H 95 8.672 8.672 8.491 0.181 18179 5891 1 10 . 1 1 61 61 GLU N N 96 119.409 119.409 119.207 0.202 18179 5892 1 10 . 1 1 61 61 GLU HA H 96 3.984 3.984 4.057 -0.073 18179 5893 1 10 . 1 1 61 61 GLU C C 96 179.574 179.574 178.824 0.750 18179 5894 1 10 . 1 1 61 61 GLU CA C 96 59.955 59.955 59.234 0.721 18179 5895 1 10 . 1 1 61 61 GLU CB C 96 29.246 29.246 29.270 -0.024 18179 5896 1 10 . 1 1 61 61 GLU H H 96 7.988 7.988 8.735 -0.747 18179 5897 1 10 . 1 1 62 62 ILE N N 97 122.621 122.621 119.933 2.688 18179 5898 1 10 . 1 1 62 62 ILE HA H 97 3.224 3.224 3.782 -0.558 18179 5899 1 10 . 1 1 62 62 ILE C C 97 177.158 177.158 177.743 -0.585 18179 5900 1 10 . 1 1 62 62 ILE CA C 97 65.787 65.787 64.395 1.392 18179 5901 1 10 . 1 1 62 62 ILE CB C 97 37.710 37.710 37.930 -0.220 18179 5902 1 10 . 1 1 62 62 ILE H H 97 8.484 8.484 7.440 1.044 18179 5903 1 10 . 1 1 63 63 GLN N N 98 115.619 115.619 119.717 -4.098 18179 5904 1 10 . 1 1 63 63 GLN HA H 98 3.481 3.481 3.081 0.400 18179 5905 1 10 . 1 1 63 63 GLN C C 98 178.097 178.097 178.043 0.054 18179 5906 1 10 . 1 1 63 63 GLN CA C 98 58.601 58.601 59.058 -0.457 18179 5907 1 10 . 1 1 63 63 GLN CB C 98 28.834 28.834 28.228 0.606 18179 5908 1 10 . 1 1 63 63 GLN H H 98 8.046 8.046 7.674 0.372 18179 5909 1 10 . 1 1 64 64 LYS N N 99 116.464 116.464 119.931 -3.467 18179 5910 1 10 . 1 1 64 64 LYS HA H 99 4.125 4.125 4.267 -0.142 18179 5911 1 10 . 1 1 64 64 LYS C C 99 179.740 179.740 179.187 0.553 18179 5912 1 10 . 1 1 64 64 LYS CA C 99 57.955 57.955 58.565 -0.610 18179 5913 1 10 . 1 1 64 64 LYS CB C 99 32.054 32.054 31.949 0.105 18179 5914 1 10 . 1 1 64 64 LYS H H 99 7.578 7.578 8.141 -0.563 18179 5915 1 10 . 1 1 65 65 LEU N N 100 122.576 122.576 119.534 3.042 18179 5916 1 10 . 1 1 65 65 LEU HA H 100 4.128 4.128 4.301 -0.173 18179 5917 1 10 . 1 1 65 65 LEU C C 100 178.481 178.481 178.743 -0.262 18179 5918 1 10 . 1 1 65 65 LEU CA C 100 57.044 57.044 57.629 -0.585 18179 5919 1 10 . 1 1 65 65 LEU CB C 100 41.883 41.883 41.255 0.628 18179 5920 1 10 . 1 1 65 65 LEU H H 100 7.916 7.916 7.612 0.304 18179 5921 1 10 . 1 1 66 66 ALA N N 101 119.534 119.534 121.316 -1.782 18179 5922 1 10 . 1 1 66 66 ALA HA H 101 3.810 3.810 4.541 -0.731 18179 5923 1 10 . 1 1 66 66 ALA C C 101 177.520 177.520 180.217 -2.697 18179 5924 1 10 . 1 1 66 66 ALA CA C 101 54.772 54.772 54.344 0.428 18179 5925 1 10 . 1 1 66 66 ALA CB C 101 17.737 17.737 19.472 -1.735 18179 5926 1 10 . 1 1 66 66 ALA H H 101 8.511 8.511 7.734 0.777 18179 5927 1 10 . 1 1 67 67 GLU N N 102 113.081 113.081 117.723 -4.642 18179 5928 1 10 . 1 1 67 67 GLU HA H 102 4.113 4.113 4.110 0.003 18179 5929 1 10 . 1 1 67 67 GLU C C 102 178.295 178.295 177.721 0.574 18179 5930 1 10 . 1 1 67 67 GLU CA C 102 58.285 58.285 58.656 -0.371 18179 5931 1 10 . 1 1 67 67 GLU CB C 102 29.952 29.952 29.095 0.857 18179 5932 1 10 . 1 1 67 67 GLU H H 102 7.039 7.039 8.400 -1.361 18179 5933 1 10 . 1 1 68 68 GLN N N 103 116.244 116.244 117.733 -1.489 18179 5934 1 10 . 1 1 68 68 GLN HA H 103 4.107 4.107 4.131 -0.024 18179 5935 1 10 . 1 1 68 68 GLN C C 103 173.173 173.173 175.202 -2.029 18179 5936 1 10 . 1 1 68 68 GLN CA C 103 56.094 56.094 57.350 -1.256 18179 5937 1 10 . 1 1 68 68 GLN CB C 103 28.703 28.703 29.574 -0.871 18179 5938 1 10 . 1 1 68 68 GLN H H 103 8.167 8.167 7.703 0.464 18179 5939 1 10 . 1 1 69 69 PHE N N 104 116.822 116.822 116.126 0.696 18179 5940 1 10 . 1 1 69 69 PHE HA H 104 4.645 4.645 4.702 -0.057 18179 5941 1 10 . 1 1 69 69 PHE C C 104 177.346 177.346 175.828 1.518 18179 5942 1 10 . 1 1 69 69 PHE CA C 104 57.254 57.254 57.266 -0.012 18179 5943 1 10 . 1 1 69 69 PHE CB C 104 40.897 40.897 41.022 -0.125 18179 5944 1 10 . 1 1 69 69 PHE H H 104 7.633 7.633 7.385 0.248 18179 5945 1 10 . 1 1 70 70 VAL N N 105 120.799 120.799 119.707 1.092 18179 5946 1 10 . 1 1 70 70 VAL HA H 105 3.867 3.867 4.116 -0.249 18179 5947 1 10 . 1 1 70 70 VAL C C 105 174.191 174.191 175.009 -0.818 18179 5948 1 10 . 1 1 70 70 VAL CA C 105 63.450 63.450 61.988 1.462 18179 5949 1 10 . 1 1 70 70 VAL CB C 105 31.566 31.566 32.069 -0.503 18179 5950 1 10 . 1 1 70 70 VAL H H 105 8.943 8.943 8.553 0.390 18179 5951 1 10 . 1 1 71 71 LEU N N 106 129.105 129.105 126.873 2.232 18179 5952 1 10 . 1 1 71 71 LEU HA H 106 4.850 4.850 4.593 0.257 18179 5953 1 10 . 1 1 71 71 LEU CA C 106 53.854 53.854 53.655 0.199 18179 5954 1 10 . 1 1 71 71 LEU CB C 106 44.478 44.478 44.448 0.030 18179 5955 1 10 . 1 1 71 71 LEU H H 106 8.432 8.432 8.357 0.075 18179 5956 1 10 . 1 1 72 72 LEU N N 107 123.682 123.682 122.341 1.341 18179 5957 1 10 . 1 1 72 72 LEU H H 107 8.298 8.298 8.334 -0.036 18179 5958 1 10 . 1 1 73 73 ASN N N 108 125.520 125.520 122.181 3.339 18179 5959 1 10 . 1 1 73 73 ASN CA C 108 51.631 51.631 52.271 -0.640 18179 5960 1 10 . 1 1 73 73 ASN CB C 108 41.484 41.484 38.561 2.923 18179 5961 1 10 . 1 1 73 73 ASN H H 108 9.761 9.761 7.946 1.815 18179 5962 1 10 . 1 1 74 74 LEU N N 109 122.070 122.070 117.182 4.888 18179 5963 1 10 . 1 1 74 74 LEU H H 109 8.563 8.563 7.262 1.301 18179 5964 1 10 . 1 1 75 75 VAL HA H 110 5.100 5.100 4.247 0.853 18179 5965 1 10 . 1 1 75 75 VAL CA C 110 59.157 59.157 62.149 -2.992 18179 5966 1 10 . 1 1 76 76 TYR N N 111 120.641 120.641 120.291 0.350 18179 5967 1 10 . 1 1 76 76 TYR HA H 111 4.569 4.569 4.633 -0.064 18179 5968 1 10 . 1 1 76 76 TYR C C 111 175.393 175.393 175.500 -0.107 18179 5969 1 10 . 1 1 76 76 TYR CA C 111 57.736 57.736 57.765 -0.029 18179 5970 1 10 . 1 1 76 76 TYR CB C 111 39.426 39.426 38.690 0.736 18179 5971 1 10 . 1 1 76 76 TYR H H 111 8.255 8.255 7.817 0.438 18179 5972 1 10 . 1 1 79 79 THR HA H 114 4.180 4.180 4.094 0.086 18179 5973 1 10 . 1 1 79 79 THR CA C 114 61.295 61.295 62.822 -1.527 18179 5974 1 10 . 1 1 79 79 THR CB C 114 68.683 68.683 69.007 -0.324 18179 5975 1 10 . 1 1 80 80 ASP N N 115 121.026 121.026 126.275 -5.249 18179 5976 1 10 . 1 1 80 80 ASP C C 115 177.959 177.959 176.395 1.564 18179 5977 1 10 . 1 1 80 80 ASP CA C 115 53.276 53.276 53.325 -0.049 18179 5978 1 10 . 1 1 80 80 ASP H H 115 7.746 7.746 8.039 -0.293 18179 5979 1 10 . 1 1 81 81 LYS N N 116 129.056 129.056 126.441 2.615 18179 5980 1 10 . 1 1 81 81 LYS HA H 116 3.828 3.828 4.174 -0.346 18179 5981 1 10 . 1 1 81 81 LYS C C 116 179.118 179.118 176.561 2.557 18179 5982 1 10 . 1 1 81 81 LYS CA C 116 57.957 57.957 57.711 0.247 18179 5983 1 10 . 1 1 81 81 LYS CB C 116 31.273 31.273 32.085 -0.812 18179 5984 1 10 . 1 1 81 81 LYS H H 116 8.873 8.873 8.651 0.222 18179 5985 1 10 . 1 1 82 82 HIS N N 117 116.887 116.887 118.720 -1.833 18179 5986 1 10 . 1 1 82 82 HIS HA H 117 4.290 4.290 4.368 -0.078 18179 5987 1 10 . 1 1 82 82 HIS C C 117 175.622 175.622 176.640 -1.018 18179 5988 1 10 . 1 1 82 82 HIS CA C 117 57.865 57.865 58.607 -0.742 18179 5989 1 10 . 1 1 82 82 HIS CB C 117 27.704 27.704 30.234 -2.530 18179 5990 1 10 . 1 1 82 82 HIS H H 117 8.707 8.707 7.816 0.891 18179 5991 1 10 . 1 1 83 83 LEU N N 118 113.733 113.733 118.677 -4.944 18179 5992 1 10 . 1 1 83 83 LEU HA H 118 4.290 4.290 4.186 0.104 18179 5993 1 10 . 1 1 83 83 LEU C C 118 175.949 175.949 176.023 -0.074 18179 5994 1 10 . 1 1 83 83 LEU CA C 118 53.982 53.982 56.545 -2.563 18179 5995 1 10 . 1 1 83 83 LEU CB C 118 41.734 41.734 42.976 -1.242 18179 5996 1 10 . 1 1 83 83 LEU H H 118 7.332 7.332 7.945 -0.613 18179 5997 1 10 . 1 1 84 84 SER N N 119 111.979 111.979 110.249 1.730 18179 5998 1 10 . 1 1 84 84 SER HA H 119 4.632 4.632 4.904 -0.272 18179 5999 1 10 . 1 1 84 84 SER C C 119 173.830 173.830 172.857 0.973 18179 6000 1 10 . 1 1 84 84 SER CA C 119 55.581 55.581 55.184 0.397 18179 6001 1 10 . 1 1 84 84 SER CB C 119 62.367 62.367 63.962 -1.595 18179 6002 1 10 . 1 1 84 84 SER H H 119 7.268 7.268 7.535 -0.267 18179 6003 1 10 . 1 1 85 85 PRO HA H 120 4.384 4.384 4.410 -0.026 18179 6004 1 10 . 1 1 85 85 PRO C C 120 177.881 177.881 176.847 1.034 18179 6005 1 10 . 1 1 85 85 PRO CA C 120 65.292 65.292 65.053 0.239 18179 6006 1 10 . 1 1 85 85 PRO CB C 120 31.942 31.942 32.057 -0.115 18179 6007 1 10 . 1 1 86 86 ASP N N 121 117.614 117.614 118.062 -0.448 18179 6008 1 10 . 1 1 86 86 ASP HA H 121 4.960 4.960 4.786 0.174 18179 6009 1 10 . 1 1 86 86 ASP C C 121 174.734 174.734 176.843 -2.109 18179 6010 1 10 . 1 1 86 86 ASP CA C 121 51.999 51.999 53.234 -1.235 18179 6011 1 10 . 1 1 86 86 ASP CB C 121 40.327 40.327 41.158 -0.831 18179 6012 1 10 . 1 1 86 86 ASP H H 121 8.882 8.882 7.964 0.918 18179 6013 1 10 . 1 1 87 87 GLY N N 122 106.815 106.815 108.513 -1.698 18179 6014 1 10 . 1 1 87 87 GLY C C 122 173.401 173.401 174.803 -1.402 18179 6015 1 10 . 1 1 87 87 GLY CA C 122 43.814 43.814 44.722 -0.908 18179 6016 1 10 . 1 1 87 87 GLY H H 122 6.973 6.973 7.465 -0.492 18179 6017 1 10 . 1 1 88 88 GLN N N 123 118.319 118.319 117.152 1.167 18179 6018 1 10 . 1 1 88 88 GLN HA H 123 3.984 3.984 4.016 -0.032 18179 6019 1 10 . 1 1 88 88 GLN C C 123 174.141 174.141 174.890 -0.749 18179 6020 1 10 . 1 1 88 88 GLN CA C 123 54.717 54.717 55.542 -0.825 18179 6021 1 10 . 1 1 88 88 GLN CB C 123 27.267 27.267 27.787 -0.520 18179 6022 1 10 . 1 1 88 88 GLN H H 123 8.224 8.224 8.223 0.001 18179 6023 1 10 . 1 1 89 89 TYR N N 124 117.220 117.220 117.954 -0.734 18179 6024 1 10 . 1 1 89 89 TYR HA H 124 4.596 4.596 4.408 0.188 18179 6025 1 10 . 1 1 89 89 TYR C C 124 173.402 173.402 176.122 -2.720 18179 6026 1 10 . 1 1 89 89 TYR CA C 124 54.672 54.672 57.107 -2.435 18179 6027 1 10 . 1 1 89 89 TYR CB C 124 38.970 38.970 38.633 0.337 18179 6028 1 10 . 1 1 89 89 TYR H H 124 5.954 5.954 7.437 -1.483 18179 6029 1 10 . 1 1 90 90 VAL N N 125 109.249 109.249 119.486 -10.237 18179 6030 1 10 . 1 1 90 90 VAL HA H 125 4.572 4.572 3.948 0.624 18179 6031 1 10 . 1 1 90 90 VAL C C 125 173.254 173.254 175.069 -1.815 18179 6032 1 10 . 1 1 90 90 VAL CA C 125 57.982 57.982 63.401 -5.419 18179 6033 1 10 . 1 1 90 90 VAL CB C 125 35.376 35.376 30.450 4.926 18179 6034 1 10 . 1 1 90 90 VAL H H 125 8.303 8.303 8.457 -0.154 18179 6035 1 10 . 1 1 92 92 ARG HA H 127 5.178 5.178 4.675 0.503 18179 6036 1 10 . 1 1 92 92 ARG CA C 127 55.689 55.689 55.410 0.279 18179 6037 1 10 . 1 1 93 93 ILE N N 128 127.696 127.696 127.634 0.062 18179 6038 1 10 . 1 1 93 93 ILE HA H 128 5.088 5.088 4.714 0.374 18179 6039 1 10 . 1 1 93 93 ILE CA C 128 61.063 61.063 60.595 0.468 18179 6040 1 10 . 1 1 93 93 ILE CB C 128 39.101 39.101 38.134 0.967 18179 6041 1 10 . 1 1 93 93 ILE H H 128 9.099 9.099 8.776 0.323 18179 6042 1 10 . 1 1 94 94 MET N N 129 122.683 122.683 125.404 -2.721 18179 6043 1 10 . 1 1 94 94 MET C C 129 174.006 174.006 174.050 -0.044 18179 6044 1 10 . 1 1 94 94 MET CA C 129 51.503 51.503 54.230 -2.727 18179 6045 1 10 . 1 1 94 94 MET CB C 129 34.764 34.764 37.471 -2.707 18179 6046 1 10 . 1 1 94 94 MET H H 129 8.496 8.496 8.273 0.223 18179 6047 1 10 . 1 1 95 95 PHE N N 130 118.014 118.014 120.011 -1.997 18179 6048 1 10 . 1 1 95 95 PHE HA H 130 5.589 5.589 4.794 0.795 18179 6049 1 10 . 1 1 95 95 PHE C C 130 174.811 174.811 173.276 1.535 18179 6050 1 10 . 1 1 95 95 PHE CA C 130 56.432 56.432 57.094 -0.662 18179 6051 1 10 . 1 1 95 95 PHE CB C 130 41.941 41.941 42.810 -0.869 18179 6052 1 10 . 1 1 95 95 PHE H H 130 8.573 8.573 8.378 0.195 18179 6053 1 10 . 1 1 96 96 VAL N N 131 122.847 122.847 119.051 3.796 18179 6054 1 10 . 1 1 96 96 VAL HA H 131 4.337 4.337 4.667 -0.330 18179 6055 1 10 . 1 1 96 96 VAL C C 131 174.303 174.303 174.041 0.262 18179 6056 1 10 . 1 1 96 96 VAL CA C 131 61.405 61.405 59.284 2.121 18179 6057 1 10 . 1 1 96 96 VAL CB C 131 34.679 34.679 35.146 -0.467 18179 6058 1 10 . 1 1 96 96 VAL H H 131 9.855 9.855 8.687 1.168 18179 6059 1 10 . 1 1 97 97 ASP N N 132 128.042 128.042 121.801 6.241 18179 6060 1 10 . 1 1 97 97 ASP HA H 132 4.883 4.883 4.933 -0.050 18179 6061 1 10 . 1 1 97 97 ASP C C 132 174.958 174.958 176.397 -1.439 18179 6062 1 10 . 1 1 97 97 ASP CA C 132 53.082 53.082 51.794 1.288 18179 6063 1 10 . 1 1 97 97 ASP CB C 132 45.484 45.484 42.741 2.743 18179 6064 1 10 . 1 1 97 97 ASP H H 132 8.399 8.399 8.042 0.357 18179 6065 1 10 . 1 1 98 98 PRO HA H 133 4.566 4.566 4.287 0.279 18179 6066 1 10 . 1 1 98 98 PRO C C 133 175.650 175.650 176.838 -1.188 18179 6067 1 10 . 1 1 98 98 PRO CA C 133 65.207 65.207 64.044 1.163 18179 6068 1 10 . 1 1 98 98 PRO CB C 133 31.858 31.858 31.799 0.059 18179 6069 1 10 . 1 1 99 99 SER N N 134 111.171 111.171 113.874 -2.703 18179 6070 1 10 . 1 1 99 99 SER HA H 134 4.122 4.122 4.284 -0.162 18179 6071 1 10 . 1 1 99 99 SER C C 134 175.303 175.303 174.747 0.556 18179 6072 1 10 . 1 1 99 99 SER CA C 134 60.237 60.237 59.990 0.247 18179 6073 1 10 . 1 1 99 99 SER CB C 134 64.471 64.471 62.913 1.558 18179 6074 1 10 . 1 1 99 99 SER H H 134 8.154 8.154 8.137 0.017 18179 6075 1 10 . 1 1 100 100 LEU N N 135 118.112 118.112 116.027 2.085 18179 6076 1 10 . 1 1 100 100 LEU HA H 135 3.683 3.683 4.003 -0.320 18179 6077 1 10 . 1 1 100 100 LEU C C 135 175.886 175.886 176.049 -0.163 18179 6078 1 10 . 1 1 100 100 LEU CA C 135 56.548 56.548 56.250 0.298 18179 6079 1 10 . 1 1 100 100 LEU CB C 135 36.922 36.922 39.376 -2.454 18179 6080 1 10 . 1 1 100 100 LEU H H 135 9.194 9.194 7.961 1.233 18179 6081 1 10 . 1 1 101 101 THR N N 136 116.048 116.048 107.322 8.726 18179 6082 1 10 . 1 1 101 101 THR HA H 136 4.191 4.191 4.573 -0.382 18179 6083 1 10 . 1 1 101 101 THR C C 136 173.771 173.771 172.928 0.843 18179 6084 1 10 . 1 1 101 101 THR CA C 136 62.123 62.123 59.673 2.450 18179 6085 1 10 . 1 1 101 101 THR CB C 136 70.407 70.407 72.035 -1.628 18179 6086 1 10 . 1 1 101 101 THR H H 136 7.022 7.022 7.333 -0.311 18179 6087 1 10 . 1 1 102 102 VAL N N 137 129.098 129.098 120.699 8.399 18179 6088 1 10 . 1 1 102 102 VAL HA H 137 3.874 3.874 4.255 -0.381 18179 6089 1 10 . 1 1 102 102 VAL C C 137 177.079 177.079 175.173 1.906 18179 6090 1 10 . 1 1 102 102 VAL CA C 137 64.163 64.163 62.667 1.496 18179 6091 1 10 . 1 1 102 102 VAL CB C 137 31.858 31.858 32.916 -1.058 18179 6092 1 10 . 1 1 102 102 VAL H H 137 9.039 9.039 8.549 0.490 18179 6093 1 10 . 1 1 103 103 ARG N N 138 128.421 128.421 129.000 -0.579 18179 6094 1 10 . 1 1 103 103 ARG HA H 138 4.724 4.724 4.554 0.170 18179 6095 1 10 . 1 1 103 103 ARG C C 138 177.315 177.315 174.499 2.816 18179 6096 1 10 . 1 1 103 103 ARG CA C 138 50.845 50.845 55.072 -4.227 18179 6097 1 10 . 1 1 103 103 ARG CB C 138 25.210 25.210 29.865 -4.655 18179 6098 1 10 . 1 1 103 103 ARG H H 138 9.355 9.355 8.593 0.762 18179 6099 1 10 . 1 1 104 104 ALA N N 139 130.638 130.638 125.281 5.357 18179 6100 1 10 . 1 1 104 104 ALA HA H 139 4.128 4.128 4.291 -0.163 18179 6101 1 10 . 1 1 104 104 ALA C C 139 170.819 170.819 174.074 -3.255 18179 6102 1 10 . 1 1 104 104 ALA CA C 139 53.517 53.517 52.379 1.138 18179 6103 1 10 . 1 1 104 104 ALA CB C 139 18.047 18.047 20.735 -2.688 18179 6104 1 10 . 1 1 104 104 ALA H H 139 8.340 8.340 7.584 0.756 18179 6105 1 10 . 1 1 105 105 ASP N N 140 113.599 113.599 118.482 -4.883 18179 6106 1 10 . 1 1 105 105 ASP HA H 140 4.356 4.356 5.069 -0.713 18179 6107 1 10 . 1 1 105 105 ASP C C 140 175.173 175.173 174.417 0.756 18179 6108 1 10 . 1 1 105 105 ASP CA C 140 54.097 54.097 53.575 0.521 18179 6109 1 10 . 1 1 105 105 ASP CB C 140 39.219 39.219 42.467 -3.248 18179 6110 1 10 . 1 1 105 105 ASP H H 140 9.653 9.653 8.388 1.265 18179 6111 1 10 . 1 1 106 106 ILE N N 141 122.867 122.867 124.139 -1.272 18179 6112 1 10 . 1 1 106 106 ILE HA H 141 4.332 4.332 4.433 -0.101 18179 6113 1 10 . 1 1 106 106 ILE C C 141 174.778 174.778 175.058 -0.280 18179 6114 1 10 . 1 1 106 106 ILE CA C 141 62.464 62.464 60.229 2.235 18179 6115 1 10 . 1 1 106 106 ILE CB C 141 36.210 36.210 41.596 -5.386 18179 6116 1 10 . 1 1 106 106 ILE H H 141 7.541 7.541 8.158 -0.617 18179 6117 1 10 . 1 1 107 107 THR N N 142 117.525 117.525 117.847 -0.322 18179 6118 1 10 . 1 1 107 107 THR HA H 142 4.721 4.721 4.700 0.021 18179 6119 1 10 . 1 1 107 107 THR C C 142 175.898 175.898 174.437 1.461 18179 6120 1 10 . 1 1 107 107 THR CA C 142 59.199 59.199 60.942 -1.743 18179 6121 1 10 . 1 1 107 107 THR CB C 142 71.817 71.817 70.584 1.233 18179 6122 1 10 . 1 1 107 107 THR H H 142 7.816 7.816 8.351 -0.535 18179 6123 1 10 . 1 1 108 108 GLY N N 143 109.853 109.853 108.795 1.058 18179 6124 1 10 . 1 1 108 108 GLY C C 143 174.389 174.389 174.687 -0.298 18179 6125 1 10 . 1 1 108 108 GLY CA C 143 44.291 44.291 44.152 0.139 18179 6126 1 10 . 1 1 108 108 GLY H H 143 8.891 8.891 8.431 0.460 18179 6127 1 10 . 1 1 109 109 ARG N N 144 116.076 116.076 120.874 -4.798 18179 6128 1 10 . 1 1 109 109 ARG HA H 144 4.006 4.006 4.134 -0.128 18179 6129 1 10 . 1 1 109 109 ARG C C 144 176.521 176.521 175.275 1.246 18179 6130 1 10 . 1 1 109 109 ARG CA C 144 55.989 55.989 57.278 -1.288 18179 6131 1 10 . 1 1 109 109 ARG CB C 144 30.851 30.851 30.543 0.308 18179 6132 1 10 . 1 1 109 109 ARG H H 144 8.108 8.108 8.641 -0.533 18179 6133 1 10 . 1 1 110 110 TYR N N 145 123.010 123.010 116.962 6.048 18179 6134 1 10 . 1 1 110 110 TYR HA H 145 4.506 4.506 4.633 -0.127 18179 6135 1 10 . 1 1 110 110 TYR C C 145 178.395 178.395 175.238 3.157 18179 6136 1 10 . 1 1 110 110 TYR CA C 145 57.217 57.217 56.758 0.459 18179 6137 1 10 . 1 1 110 110 TYR CB C 145 37.232 37.232 40.768 -3.536 18179 6138 1 10 . 1 1 110 110 TYR H H 145 8.825 8.825 7.925 0.900 18179 6139 1 10 . 1 1 111 111 SER N N 146 120.152 120.152 116.279 3.873 18179 6140 1 10 . 1 1 111 111 SER HA H 146 3.948 3.948 4.505 -0.557 18179 6141 1 10 . 1 1 111 111 SER C C 146 174.939 174.939 173.941 0.998 18179 6142 1 10 . 1 1 111 111 SER CA C 146 60.850 60.850 58.491 2.359 18179 6143 1 10 . 1 1 111 111 SER CB C 146 62.776 62.776 63.835 -1.059 18179 6144 1 10 . 1 1 111 111 SER H H 146 8.616 8.616 8.767 -0.151 18179 6145 1 10 . 1 1 112 112 ASN N N 147 116.146 116.146 120.082 -3.936 18179 6146 1 10 . 1 1 112 112 ASN HA H 147 4.558 4.558 4.682 -0.124 18179 6147 1 10 . 1 1 112 112 ASN C C 147 173.693 173.693 175.353 -1.660 18179 6148 1 10 . 1 1 112 112 ASN CA C 147 53.209 53.209 53.842 -0.633 18179 6149 1 10 . 1 1 112 112 ASN CB C 147 37.534 37.534 38.287 -0.753 18179 6150 1 10 . 1 1 112 112 ASN H H 147 8.374 8.374 8.195 0.179 18179 6151 1 10 . 1 1 113 113 ARG N N 148 121.673 121.673 121.175 0.498 18179 6152 1 10 . 1 1 113 113 ARG HA H 148 4.226 4.226 4.324 -0.098 18179 6153 1 10 . 1 1 113 113 ARG C C 148 176.358 176.358 175.204 1.154 18179 6154 1 10 . 1 1 113 113 ARG CA C 148 55.251 55.251 55.360 -0.109 18179 6155 1 10 . 1 1 113 113 ARG CB C 148 30.973 30.973 30.897 0.076 18179 6156 1 10 . 1 1 113 113 ARG H H 148 6.782 6.782 8.064 -1.282 18179 6157 1 10 . 1 1 114 114 LEU N N 149 125.966 125.966 121.923 4.043 18179 6158 1 10 . 1 1 114 114 LEU HA H 149 3.776 3.776 4.490 -0.714 18179 6159 1 10 . 1 1 114 114 LEU C C 149 175.787 175.787 176.859 -1.072 18179 6160 1 10 . 1 1 114 114 LEU CA C 149 57.640 57.640 54.417 3.223 18179 6161 1 10 . 1 1 114 114 LEU CB C 149 43.153 43.153 43.208 -0.055 18179 6162 1 10 . 1 1 114 114 LEU H H 149 9.976 9.976 8.388 1.588 18179 6163 1 10 . 1 1 115 115 TYR N N 150 115.137 115.137 115.640 -0.503 18179 6164 1 10 . 1 1 115 115 TYR HA H 150 4.947 4.947 4.608 0.339 18179 6165 1 10 . 1 1 115 115 TYR C C 150 174.449 174.449 174.064 0.385 18179 6166 1 10 . 1 1 115 115 TYR CA C 150 55.986 55.986 56.258 -0.272 18179 6167 1 10 . 1 1 115 115 TYR CB C 150 38.660 38.660 37.202 1.458 18179 6168 1 10 . 1 1 115 115 TYR H H 150 8.272 8.272 7.591 0.681 18179 6169 1 10 . 1 1 116 116 ALA N N 151 121.349 121.349 129.327 -7.978 18179 6170 1 10 . 1 1 116 116 ALA HA H 151 5.086 5.086 4.501 0.585 18179 6171 1 10 . 1 1 116 116 ALA C C 151 177.541 177.541 175.442 2.099 18179 6172 1 10 . 1 1 116 116 ALA CA C 151 51.614 51.614 51.276 0.338 18179 6173 1 10 . 1 1 116 116 ALA CB C 151 21.262 21.262 21.501 -0.239 18179 6174 1 10 . 1 1 116 116 ALA H H 151 7.515 7.515 8.267 -0.752 18179 6175 1 10 . 1 1 117 117 TYR N N 152 115.287 115.287 113.522 1.765 18179 6176 1 10 . 1 1 117 117 TYR HA H 152 4.693 4.693 4.757 -0.064 18179 6177 1 10 . 1 1 117 117 TYR C C 152 173.749 173.749 175.025 -1.276 18179 6178 1 10 . 1 1 117 117 TYR CA C 152 58.142 58.142 58.493 -0.351 18179 6179 1 10 . 1 1 117 117 TYR CB C 152 42.827 42.827 39.346 3.481 18179 6180 1 10 . 1 1 117 117 TYR H H 152 6.916 6.916 9.328 -2.412 18179 6181 1 10 . 1 1 118 118 GLU N N 153 122.624 122.624 122.044 0.580 18179 6182 1 10 . 1 1 118 118 GLU HA H 153 4.951 4.951 4.255 0.696 18179 6183 1 10 . 1 1 118 118 GLU C C 153 175.895 175.895 175.503 0.392 18179 6184 1 10 . 1 1 118 118 GLU CA C 153 54.029 54.029 54.158 -0.129 18179 6185 1 10 . 1 1 118 118 GLU CB C 153 29.513 29.513 28.977 0.535 18179 6186 1 10 . 1 1 118 118 GLU H H 153 9.508 9.508 7.016 2.492 18179 6187 1 10 . 1 1 119 119 PRO HA H 154 4.119 4.119 4.305 -0.186 18179 6188 1 10 . 1 1 119 119 PRO C C 154 176.457 176.457 176.693 -0.236 18179 6189 1 10 . 1 1 119 119 PRO CA C 154 66.240 66.240 64.910 1.329 18179 6190 1 10 . 1 1 119 119 PRO CB C 154 31.682 31.682 31.901 -0.219 18179 6191 1 10 . 1 1 120 120 ALA N N 155 114.721 114.721 118.724 -4.003 18179 6192 1 10 . 1 1 120 120 ALA HA H 155 4.372 4.372 4.198 0.174 18179 6193 1 10 . 1 1 120 120 ALA C C 155 178.528 178.528 178.036 0.492 18179 6194 1 10 . 1 1 120 120 ALA CA C 155 53.148 53.148 53.737 -0.589 18179 6195 1 10 . 1 1 120 120 ALA CB C 155 18.782 18.782 19.237 -0.455 18179 6196 1 10 . 1 1 120 120 ALA H H 155 7.697 7.697 7.783 -0.086 18179 6197 1 10 . 1 1 121 121 ASP N N 156 117.502 117.502 115.467 2.035 18179 6198 1 10 . 1 1 121 121 ASP HA H 156 5.154 5.154 4.696 0.458 18179 6199 1 10 . 1 1 121 121 ASP C C 156 176.756 176.756 177.305 -0.549 18179 6200 1 10 . 1 1 121 121 ASP CA C 156 54.742 54.742 54.136 0.606 18179 6201 1 10 . 1 1 121 121 ASP CB C 156 42.326 42.326 41.143 1.183 18179 6202 1 10 . 1 1 121 121 ASP H H 156 8.493 8.493 7.981 0.512 18179 6203 1 10 . 1 1 122 122 THR N N 157 111.372 111.372 112.980 -1.608 18179 6204 1 10 . 1 1 122 122 THR HA H 157 3.738 3.738 4.177 -0.439 18179 6205 1 10 . 1 1 122 122 THR C C 157 176.023 176.023 175.767 0.256 18179 6206 1 10 . 1 1 122 122 THR CA C 157 66.673 66.673 64.679 1.994 18179 6207 1 10 . 1 1 122 122 THR CB C 157 67.967 67.967 68.510 -0.543 18179 6208 1 10 . 1 1 122 122 THR H H 157 7.428 7.428 7.787 -0.359 18179 6209 1 10 . 1 1 123 123 ALA N N 158 123.853 123.853 125.184 -1.331 18179 6210 1 10 . 1 1 123 123 ALA HA H 158 4.133 4.133 4.144 -0.011 18179 6211 1 10 . 1 1 123 123 ALA C C 158 179.987 179.987 179.332 0.655 18179 6212 1 10 . 1 1 123 123 ALA CA C 158 55.545 55.545 54.848 0.697 18179 6213 1 10 . 1 1 123 123 ALA CB C 158 17.458 17.458 17.936 -0.478 18179 6214 1 10 . 1 1 123 123 ALA H H 158 8.663 8.663 8.182 0.480 18179 6215 1 10 . 1 1 124 124 LEU N N 159 121.199 121.199 120.133 1.066 18179 6216 1 10 . 1 1 124 124 LEU HA H 159 4.229 4.229 4.047 0.182 18179 6217 1 10 . 1 1 124 124 LEU C C 159 178.342 178.342 178.406 -0.064 18179 6218 1 10 . 1 1 124 124 LEU CA C 159 57.329 57.329 57.345 -0.016 18179 6219 1 10 . 1 1 124 124 LEU CB C 159 41.956 41.956 41.932 0.024 18179 6220 1 10 . 1 1 124 124 LEU H H 159 7.444 7.444 7.691 -0.247 18179 6221 1 10 . 1 1 125 125 LEU N N 160 119.836 119.836 119.940 -0.104 18179 6222 1 10 . 1 1 125 125 LEU HA H 160 3.963 3.963 3.972 -0.009 18179 6223 1 10 . 1 1 125 125 LEU C C 160 178.168 178.168 178.828 -0.660 18179 6224 1 10 . 1 1 125 125 LEU CA C 160 58.475 58.475 57.930 0.545 18179 6225 1 10 . 1 1 125 125 LEU CB C 160 40.915 40.915 42.019 -1.104 18179 6226 1 10 . 1 1 125 125 LEU H H 160 8.430 8.430 7.459 0.971 18179 6227 1 10 . 1 1 126 126 LEU N N 161 120.046 120.046 119.958 0.088 18179 6228 1 10 . 1 1 126 126 LEU HA H 161 4.000 4.000 3.926 0.074 18179 6229 1 10 . 1 1 126 126 LEU C C 161 178.848 178.848 178.562 0.286 18179 6230 1 10 . 1 1 126 126 LEU CA C 161 58.524 58.524 58.131 0.393 18179 6231 1 10 . 1 1 126 126 LEU CB C 161 42.005 42.005 41.456 0.549 18179 6232 1 10 . 1 1 126 126 LEU H H 161 8.127 8.127 8.116 0.011 18179 6233 1 10 . 1 1 127 127 ASP N N 162 119.057 119.057 118.303 0.754 18179 6234 1 10 . 1 1 127 127 ASP HA H 162 4.267 4.267 4.227 0.040 18179 6235 1 10 . 1 1 127 127 ASP C C 162 179.299 179.299 178.629 0.670 18179 6236 1 10 . 1 1 127 127 ASP CA C 162 57.699 57.699 57.604 0.095 18179 6237 1 10 . 1 1 127 127 ASP CB C 162 40.564 40.564 40.875 -0.311 18179 6238 1 10 . 1 1 127 127 ASP H H 162 7.872 7.872 8.497 -0.625 18179 6239 1 10 . 1 1 128 128 ASN N N 163 122.268 122.268 118.162 4.106 18179 6240 1 10 . 1 1 128 128 ASN HA H 163 4.423 4.423 4.542 -0.119 18179 6241 1 10 . 1 1 128 128 ASN C C 163 177.256 177.256 177.601 -0.345 18179 6242 1 10 . 1 1 128 128 ASN CA C 163 54.502 54.502 55.747 -1.245 18179 6243 1 10 . 1 1 128 128 ASN CB C 163 36.821 36.821 38.631 -1.810 18179 6244 1 10 . 1 1 128 128 ASN H H 163 8.711 8.711 8.290 0.421 18179 6245 1 10 . 1 1 129 129 MET N N 164 122.448 122.448 119.715 2.733 18179 6246 1 10 . 1 1 129 129 MET HA H 164 3.583 3.583 4.212 -0.629 18179 6247 1 10 . 1 1 129 129 MET C C 164 178.272 178.272 178.036 0.236 18179 6248 1 10 . 1 1 129 129 MET CA C 164 59.617 59.617 57.489 2.128 18179 6249 1 10 . 1 1 129 129 MET CB C 164 34.481 34.481 32.356 2.125 18179 6250 1 10 . 1 1 129 129 MET H H 164 8.704 8.704 8.356 0.348 18179 6251 1 10 . 1 1 130 130 LYS N N 165 117.243 117.243 118.350 -1.107 18179 6252 1 10 . 1 1 130 130 LYS HA H 165 3.869 3.869 3.911 -0.042 18179 6253 1 10 . 1 1 130 130 LYS C C 165 180.050 180.050 178.634 1.416 18179 6254 1 10 . 1 1 130 130 LYS CA C 165 60.517 60.517 59.263 1.254 18179 6255 1 10 . 1 1 130 130 LYS CB C 165 31.836 31.836 32.385 -0.549 18179 6256 1 10 . 1 1 130 130 LYS H H 165 7.767 7.767 7.767 0.000 18179 6257 1 10 . 1 1 131 131 LYS N N 166 120.486 120.486 117.818 2.668 18179 6258 1 10 . 1 1 131 131 LYS HA H 166 3.853 3.853 4.111 -0.258 18179 6259 1 10 . 1 1 131 131 LYS C C 166 179.232 179.232 178.476 0.756 18179 6260 1 10 . 1 1 131 131 LYS CA C 166 60.171 60.171 58.843 1.328 18179 6261 1 10 . 1 1 131 131 LYS CB C 166 32.783 32.783 32.300 0.484 18179 6262 1 10 . 1 1 131 131 LYS H H 166 7.914 7.914 7.651 0.263 18179 6263 1 10 . 1 1 132 132 ALA N N 167 122.426 122.426 122.464 -0.038 18179 6264 1 10 . 1 1 132 132 ALA HA H 167 3.625 3.625 4.597 -0.972 18179 6265 1 10 . 1 1 132 132 ALA C C 167 177.616 177.616 178.515 -0.899 18179 6266 1 10 . 1 1 132 132 ALA CA C 167 54.246 54.246 53.988 0.258 18179 6267 1 10 . 1 1 132 132 ALA CB C 167 18.261 18.261 18.568 -0.307 18179 6268 1 10 . 1 1 132 132 ALA H H 167 7.801 7.801 7.982 -0.181 18179 6269 1 10 . 1 1 133 133 LEU N N 168 113.735 113.735 116.210 -2.475 18179 6270 1 10 . 1 1 133 133 LEU HA H 168 3.747 3.747 3.450 0.297 18179 6271 1 10 . 1 1 133 133 LEU C C 168 177.322 177.322 177.276 0.046 18179 6272 1 10 . 1 1 133 133 LEU CA C 168 55.892 55.892 56.241 -0.349 18179 6273 1 10 . 1 1 133 133 LEU CB C 168 42.159 42.159 41.809 0.351 18179 6274 1 10 . 1 1 133 133 LEU H H 168 7.010 7.010 7.293 -0.283 18179 6275 1 10 . 1 1 134 134 LYS N N 169 123.034 123.034 117.395 5.639 18179 6276 1 10 . 1 1 134 134 LYS HA H 169 4.331 4.331 4.359 -0.028 18179 6277 1 10 . 1 1 134 134 LYS C C 169 174.307 174.307 175.487 -1.180 18179 6278 1 10 . 1 1 134 134 LYS CA C 169 55.382 55.382 56.330 -0.947 18179 6279 1 10 . 1 1 134 134 LYS CB C 169 29.718 29.718 34.286 -4.569 18179 6280 1 10 . 1 1 134 134 LYS H H 169 7.202 7.202 7.150 0.052 18179 6281 1 10 . 1 1 135 135 LEU N N 170 120.490 120.490 118.648 1.842 18179 6282 1 10 . 1 1 135 135 LEU HA H 170 3.980 3.980 4.492 -0.512 18179 6283 1 10 . 1 1 135 135 LEU C C 170 178.427 178.427 173.994 4.433 18179 6284 1 10 . 1 1 135 135 LEU CA C 170 54.884 54.884 53.917 0.967 18179 6285 1 10 . 1 1 135 135 LEU CB C 170 40.903 40.903 46.024 -5.121 18179 6286 1 10 . 1 1 135 135 LEU H H 170 7.334 7.334 7.920 -0.586 18179 6287 1 10 . 1 1 136 136 LEU N N 171 120.084 120.084 120.343 -0.259 18179 6288 1 10 . 1 1 136 136 LEU HA H 171 4.040 4.040 4.719 -0.679 18179 6289 1 10 . 1 1 136 136 LEU C C 171 178.231 178.231 175.586 2.645 18179 6290 1 10 . 1 1 136 136 LEU CA C 171 55.750 55.750 52.371 3.379 18179 6291 1 10 . 1 1 136 136 LEU CB C 171 41.734 41.734 44.619 -2.885 18179 6292 1 10 . 1 1 136 136 LEU H H 171 8.614 8.614 8.321 0.293 18179 6293 1 10 . 1 1 137 137 LYS N N 172 121.059 121.059 120.038 1.021 18179 6294 1 10 . 1 1 137 137 LYS HA H 172 4.333 4.333 4.693 -0.360 18179 6295 1 10 . 1 1 137 137 LYS C C 172 174.388 174.388 175.104 -0.716 18179 6296 1 10 . 1 1 137 137 LYS CA C 172 55.903 55.903 55.121 0.782 18179 6297 1 10 . 1 1 137 137 LYS CB C 172 32.681 32.681 34.730 -2.049 18179 6298 1 10 . 1 1 137 137 LYS H H 172 8.468 8.468 8.607 -0.139 18179 6299 1 10 . 1 1 138 138 THR N N 173 116.267 116.267 117.954 -1.687 18179 6300 1 10 . 1 1 138 138 THR HA H 173 4.261 4.261 4.506 -0.245 18179 6301 1 10 . 1 1 138 138 THR C C 173 174.267 174.267 173.231 1.036 18179 6302 1 10 . 1 1 138 138 THR CA C 173 61.867 61.867 61.688 0.179 18179 6303 1 10 . 1 1 138 138 THR CB C 173 69.848 69.848 70.813 -0.965 18179 6304 1 10 . 1 1 138 138 THR H H 173 8.095 8.095 8.426 -0.331 18179 6305 1 10 . 1 1 139 139 GLU N N 174 123.648 123.648 129.178 -5.530 18179 6306 1 10 . 1 1 139 139 GLU HA H 174 4.288 4.288 4.429 -0.141 18179 6307 1 10 . 1 1 139 139 GLU C C 174 175.178 175.178 175.325 -0.147 18179 6308 1 10 . 1 1 139 139 GLU CA C 174 56.205 56.205 55.812 0.393 18179 6309 1 10 . 1 1 139 139 GLU CB C 174 30.353 30.353 29.900 0.453 18179 6310 1 10 . 1 1 139 139 GLU H H 174 8.293 8.293 8.592 -0.299 18179 6311 1 11 . 1 1 17 17 LEU N N 52 120.529 120.529 124.050 -3.521 18179 6312 1 11 . 1 1 17 17 LEU HA H 52 4.317 4.317 4.309 0.008 18179 6313 1 11 . 1 1 17 17 LEU CA C 52 53.456 53.456 55.390 -1.934 18179 6314 1 11 . 1 1 17 17 LEU CB C 52 42.494 42.494 43.196 -0.702 18179 6315 1 11 . 1 1 17 17 LEU H H 52 7.103 7.103 8.441 -1.338 18179 6316 1 11 . 1 1 18 18 ILE CB C 53 36.458 36.458 36.191 0.267 18179 6317 1 11 . 1 1 23 23 TYR HA H 58 4.359 4.359 4.020 0.339 18179 6318 1 11 . 1 1 23 23 TYR C C 58 176.387 176.387 176.206 0.181 18179 6319 1 11 . 1 1 23 23 TYR CA C 58 59.597 59.597 61.333 -1.736 18179 6320 1 11 . 1 1 23 23 TYR CB C 58 38.572 38.572 38.358 0.214 18179 6321 1 11 . 1 1 24 24 GLU N N 59 117.335 117.335 118.400 -1.065 18179 6322 1 11 . 1 1 24 24 GLU CA C 59 60.871 60.871 59.285 1.586 18179 6323 1 11 . 1 1 24 24 GLU CB C 59 28.494 28.494 28.250 0.243 18179 6324 1 11 . 1 1 24 24 GLU H H 59 9.191 9.191 8.658 0.533 18179 6325 1 11 . 1 1 25 25 ALA N N 60 120.861 120.861 121.363 -0.502 18179 6326 1 11 . 1 1 25 25 ALA CA C 60 54.555 54.555 54.518 0.037 18179 6327 1 11 . 1 1 25 25 ALA CB C 60 18.528 18.528 18.216 0.312 18179 6328 1 11 . 1 1 25 25 ALA H H 60 7.688 7.688 7.562 0.126 18179 6329 1 11 . 1 1 26 26 ALA N N 61 123.402 123.402 122.574 0.828 18179 6330 1 11 . 1 1 26 26 ALA HA H 61 3.900 3.900 3.944 -0.044 18179 6331 1 11 . 1 1 26 26 ALA CA C 61 55.346 55.346 55.017 0.329 18179 6332 1 11 . 1 1 26 26 ALA CB C 61 19.104 19.104 18.256 0.848 18179 6333 1 11 . 1 1 26 26 ALA H H 61 8.225 8.225 7.373 0.852 18179 6334 1 11 . 1 1 27 27 LEU N N 62 118.742 118.742 118.864 -0.122 18179 6335 1 11 . 1 1 27 27 LEU HA H 62 3.700 3.700 3.766 -0.066 18179 6336 1 11 . 1 1 27 27 LEU C C 62 171.911 171.911 178.965 -7.054 18179 6337 1 11 . 1 1 27 27 LEU CA C 62 57.654 57.654 58.065 -0.411 18179 6338 1 11 . 1 1 27 27 LEU CB C 62 41.905 41.905 41.410 0.495 18179 6339 1 11 . 1 1 27 27 LEU H H 62 8.336 8.336 7.411 0.925 18179 6340 1 11 . 1 1 28 28 TYR N N 63 117.594 117.594 119.143 -1.549 18179 6341 1 11 . 1 1 28 28 TYR HA H 63 4.007 4.007 3.967 0.040 18179 6342 1 11 . 1 1 28 28 TYR C C 63 179.075 179.075 177.443 1.632 18179 6343 1 11 . 1 1 28 28 TYR CA C 63 61.769 61.769 61.795 -0.027 18179 6344 1 11 . 1 1 28 28 TYR CB C 63 38.071 38.071 38.375 -0.304 18179 6345 1 11 . 1 1 28 28 TYR H H 63 7.279 7.279 7.513 -0.234 18179 6346 1 11 . 1 1 29 29 LYS N N 64 121.077 121.077 119.734 1.343 18179 6347 1 11 . 1 1 29 29 LYS HA H 64 3.663 3.663 3.834 -0.171 18179 6348 1 11 . 1 1 29 29 LYS C C 64 176.394 176.394 179.405 -3.011 18179 6349 1 11 . 1 1 29 29 LYS CA C 64 59.230 59.230 59.662 -0.432 18179 6350 1 11 . 1 1 29 29 LYS CB C 64 32.573 32.573 32.298 0.275 18179 6351 1 11 . 1 1 29 29 LYS H H 64 8.472 8.472 8.552 -0.080 18179 6352 1 11 . 1 1 30 30 SER N N 65 117.933 117.933 116.287 1.646 18179 6353 1 11 . 1 1 30 30 SER HA H 65 4.160 4.160 4.273 -0.113 18179 6354 1 11 . 1 1 30 30 SER C C 65 176.518 176.518 176.294 0.224 18179 6355 1 11 . 1 1 30 30 SER CA C 65 61.706 61.706 61.751 -0.045 18179 6356 1 11 . 1 1 30 30 SER CB C 65 64.022 64.022 63.075 0.947 18179 6357 1 11 . 1 1 30 30 SER H H 65 8.500 8.500 8.526 -0.026 18179 6358 1 11 . 1 1 31 31 LYS N N 66 117.248 117.248 120.613 -3.365 18179 6359 1 11 . 1 1 31 31 LYS HA H 66 4.301 4.301 4.044 0.257 18179 6360 1 11 . 1 1 31 31 LYS C C 66 179.721 179.721 178.372 1.349 18179 6361 1 11 . 1 1 31 31 LYS CA C 66 59.165 59.165 58.925 0.240 18179 6362 1 11 . 1 1 31 31 LYS CB C 66 32.372 32.372 32.199 0.173 18179 6363 1 11 . 1 1 31 31 LYS H H 66 8.020 8.020 7.854 0.166 18179 6364 1 11 . 1 1 32 32 THR N N 67 109.772 109.772 112.744 -2.972 18179 6365 1 11 . 1 1 32 32 THR HA H 67 3.883 3.883 4.175 -0.292 18179 6366 1 11 . 1 1 32 32 THR C C 67 176.237 176.237 175.321 0.916 18179 6367 1 11 . 1 1 32 32 THR CA C 67 64.813 64.813 64.528 0.285 18179 6368 1 11 . 1 1 32 32 THR CB C 67 69.445 69.445 68.781 0.664 18179 6369 1 11 . 1 1 32 32 THR H H 67 7.844 7.844 7.384 0.460 18179 6370 1 11 . 1 1 33 33 SER N N 68 115.610 115.610 114.568 1.042 18179 6371 1 11 . 1 1 33 33 SER HA H 68 4.369 4.369 4.446 -0.077 18179 6372 1 11 . 1 1 33 33 SER C C 68 174.628 174.628 174.634 -0.006 18179 6373 1 11 . 1 1 33 33 SER CA C 68 59.242 59.242 58.654 0.588 18179 6374 1 11 . 1 1 33 33 SER CB C 68 65.166 65.166 64.339 0.827 18179 6375 1 11 . 1 1 33 33 SER H H 68 8.047 8.047 7.266 0.781 18179 6376 1 11 . 1 1 34 34 ASN N N 69 110.215 110.215 117.193 -6.978 18179 6377 1 11 . 1 1 34 34 ASN HA H 69 4.181 4.181 4.384 -0.203 18179 6378 1 11 . 1 1 34 34 ASN C C 69 173.253 173.253 174.295 -1.042 18179 6379 1 11 . 1 1 34 34 ASN CA C 69 54.302 54.302 54.514 -0.212 18179 6380 1 11 . 1 1 34 34 ASN CB C 69 38.506 38.506 36.752 1.754 18179 6381 1 11 . 1 1 34 34 ASN H H 69 8.061 8.061 8.138 -0.077 18179 6382 1 11 . 1 1 35 35 LYS N N 70 117.312 117.312 118.637 -1.325 18179 6383 1 11 . 1 1 35 35 LYS HA H 70 4.676 4.676 4.757 -0.081 18179 6384 1 11 . 1 1 35 35 LYS CA C 70 53.385 53.385 53.705 -0.320 18179 6385 1 11 . 1 1 35 35 LYS CB C 70 34.049 34.049 33.350 0.699 18179 6386 1 11 . 1 1 35 35 LYS H H 70 7.589 7.589 7.705 -0.116 18179 6387 1 11 . 1 1 36 36 PRO HA H 71 4.371 4.371 4.405 -0.034 18179 6388 1 11 . 1 1 36 36 PRO C C 71 172.189 172.189 175.882 -3.693 18179 6389 1 11 . 1 1 36 36 PRO CA C 71 62.356 62.356 63.434 -1.078 18179 6390 1 11 . 1 1 36 36 PRO CB C 71 31.785 31.785 32.368 -0.583 18179 6391 1 11 . 1 1 37 37 LEU N N 72 122.894 122.894 123.172 -0.278 18179 6392 1 11 . 1 1 37 37 LEU HA H 72 5.392 5.392 4.756 0.636 18179 6393 1 11 . 1 1 37 37 LEU C C 72 174.422 174.422 175.524 -1.102 18179 6394 1 11 . 1 1 37 37 LEU CA C 72 52.656 52.656 54.013 -1.357 18179 6395 1 11 . 1 1 37 37 LEU CB C 72 45.220 45.220 43.361 1.859 18179 6396 1 11 . 1 1 37 37 LEU H H 72 8.936 8.936 8.107 0.829 18179 6397 1 11 . 1 1 38 38 MET N N 73 128.922 128.922 124.965 3.957 18179 6398 1 11 . 1 1 38 38 MET C C 73 172.488 172.488 174.517 -2.029 18179 6399 1 11 . 1 1 38 38 MET CA C 73 54.806 54.806 54.321 0.485 18179 6400 1 11 . 1 1 38 38 MET CB C 73 35.127 35.127 34.597 0.530 18179 6401 1 11 . 1 1 38 38 MET H H 73 8.965 8.965 8.745 0.220 18179 6402 1 11 . 1 1 39 39 ILE N N 74 124.016 124.016 127.983 -3.967 18179 6403 1 11 . 1 1 39 39 ILE HA H 74 4.819 4.819 4.205 0.614 18179 6404 1 11 . 1 1 39 39 ILE C C 74 175.018 175.018 174.130 0.888 18179 6405 1 11 . 1 1 39 39 ILE CA C 74 59.688 59.688 61.088 -1.400 18179 6406 1 11 . 1 1 39 39 ILE CB C 74 40.407 40.407 38.009 2.398 18179 6407 1 11 . 1 1 39 39 ILE H H 74 8.727 8.727 8.347 0.380 18179 6408 1 11 . 1 1 40 40 ILE N N 75 126.837 126.837 129.054 -2.217 18179 6409 1 11 . 1 1 40 40 ILE HA H 75 4.038 4.038 4.407 -0.369 18179 6410 1 11 . 1 1 40 40 ILE C C 75 175.282 175.282 173.419 1.863 18179 6411 1 11 . 1 1 40 40 ILE CA C 75 60.408 60.408 59.800 0.609 18179 6412 1 11 . 1 1 40 40 ILE CB C 75 40.028 40.028 39.997 0.031 18179 6413 1 11 . 1 1 40 40 ILE H H 75 8.587 8.587 8.330 0.257 18179 6414 1 11 . 1 1 41 41 HIS N N 76 128.633 128.633 128.223 0.410 18179 6415 1 11 . 1 1 41 41 HIS CA C 76 56.453 56.453 55.729 0.724 18179 6416 1 11 . 1 1 41 41 HIS CB C 76 29.368 29.368 33.408 -4.040 18179 6417 1 11 . 1 1 41 41 HIS H H 76 9.145 9.145 7.911 1.234 18179 6418 1 11 . 1 1 42 42 HIS HA H 77 4.822 4.822 4.871 -0.049 18179 6419 1 11 . 1 1 42 42 HIS C C 77 170.942 170.942 173.594 -2.652 18179 6420 1 11 . 1 1 42 42 HIS CA C 77 54.441 54.441 54.739 -0.298 18179 6421 1 11 . 1 1 42 42 HIS CB C 77 34.768 34.768 33.268 1.500 18179 6422 1 11 . 1 1 43 43 LEU N N 78 114.526 114.526 120.218 -5.692 18179 6423 1 11 . 1 1 43 43 LEU HA H 78 4.540 4.540 4.722 -0.182 18179 6424 1 11 . 1 1 43 43 LEU C C 78 177.855 177.855 176.182 1.673 18179 6425 1 11 . 1 1 43 43 LEU CA C 78 54.020 54.020 53.208 0.812 18179 6426 1 11 . 1 1 43 43 LEU CB C 78 46.643 46.643 45.680 0.963 18179 6427 1 11 . 1 1 43 43 LEU H H 78 7.077 7.077 8.290 -1.213 18179 6428 1 11 . 1 1 44 44 ASP N N 79 123.675 123.675 121.108 2.567 18179 6429 1 11 . 1 1 44 44 ASP HA H 79 4.452 4.452 4.490 -0.038 18179 6430 1 11 . 1 1 44 44 ASP C C 79 177.872 177.872 176.915 0.957 18179 6431 1 11 . 1 1 44 44 ASP CA C 79 57.458 57.458 56.545 0.913 18179 6432 1 11 . 1 1 44 44 ASP CB C 79 40.739 40.739 40.931 -0.192 18179 6433 1 11 . 1 1 44 44 ASP H H 79 8.783 8.783 8.982 -0.199 18179 6434 1 11 . 1 1 45 45 GLU N N 80 115.578 115.578 118.239 -2.661 18179 6435 1 11 . 1 1 45 45 GLU HA H 80 4.156 4.156 4.252 -0.096 18179 6436 1 11 . 1 1 45 45 GLU C C 80 175.108 175.108 175.932 -0.824 18179 6437 1 11 . 1 1 45 45 GLU CA C 80 56.661 56.661 57.393 -0.732 18179 6438 1 11 . 1 1 45 45 GLU CB C 80 28.604 28.604 29.430 -0.826 18179 6439 1 11 . 1 1 45 45 GLU H H 80 9.146 9.146 8.404 0.742 18179 6440 1 11 . 1 1 46 46 CYS N N 81 125.642 125.642 116.456 9.186 18179 6441 1 11 . 1 1 46 46 CYS HA H 81 4.814 4.814 4.777 0.037 18179 6442 1 11 . 1 1 46 46 CYS C C 81 175.453 175.453 172.420 3.033 18179 6443 1 11 . 1 1 46 46 CYS CA C 81 56.298 56.298 55.060 1.238 18179 6444 1 11 . 1 1 46 46 CYS CB C 81 30.378 30.378 28.374 2.004 18179 6445 1 11 . 1 1 46 46 CYS H H 81 7.146 7.146 7.702 -0.556 18179 6446 1 11 . 1 1 47 47 PRO HA H 82 4.311 4.311 4.049 0.262 18179 6447 1 11 . 1 1 47 47 PRO CA C 82 64.536 64.536 63.550 0.986 18179 6448 1 11 . 1 1 47 47 PRO CB C 82 32.069 32.069 31.909 0.160 18179 6449 1 11 . 1 1 48 48 HIS N N 83 124.416 124.416 121.875 2.541 18179 6450 1 11 . 1 1 48 48 HIS HA H 83 4.511 4.511 4.366 0.145 18179 6451 1 11 . 1 1 48 48 HIS C C 83 178.820 178.820 176.983 1.837 18179 6452 1 11 . 1 1 48 48 HIS CA C 83 59.042 59.042 56.548 2.494 18179 6453 1 11 . 1 1 48 48 HIS CB C 83 28.921 28.921 30.091 -1.171 18179 6454 1 11 . 1 1 48 48 HIS H H 83 8.936 8.936 8.061 0.875 18179 6455 1 11 . 1 1 49 49 SER N N 84 129.973 129.973 116.922 13.051 18179 6456 1 11 . 1 1 49 49 SER HA H 84 4.152 4.152 3.967 0.185 18179 6457 1 11 . 1 1 49 49 SER C C 84 175.397 175.397 175.614 -0.217 18179 6458 1 11 . 1 1 49 49 SER CA C 84 63.873 63.873 61.846 2.027 18179 6459 1 11 . 1 1 49 49 SER CB C 84 65.516 65.516 63.300 2.216 18179 6460 1 11 . 1 1 49 49 SER H H 84 11.408 11.408 8.958 2.450 18179 6461 1 11 . 1 1 50 50 GLN N N 85 118.214 118.214 119.103 -0.889 18179 6462 1 11 . 1 1 50 50 GLN HA H 85 3.701 3.701 4.141 -0.440 18179 6463 1 11 . 1 1 50 50 GLN C C 85 178.213 178.213 177.500 0.713 18179 6464 1 11 . 1 1 50 50 GLN CA C 85 58.201 58.201 58.006 0.195 18179 6465 1 11 . 1 1 50 50 GLN CB C 85 27.294 27.294 28.073 -0.779 18179 6466 1 11 . 1 1 50 50 GLN H H 85 8.192 8.192 7.930 0.262 18179 6467 1 11 . 1 1 51 51 ALA N N 86 121.790 121.790 123.503 -1.713 18179 6468 1 11 . 1 1 51 51 ALA HA H 86 4.099 4.099 4.013 0.086 18179 6469 1 11 . 1 1 51 51 ALA C C 86 180.512 180.512 179.611 0.901 18179 6470 1 11 . 1 1 51 51 ALA CA C 86 54.742 54.742 54.684 0.058 18179 6471 1 11 . 1 1 51 51 ALA CB C 86 18.559 18.559 18.198 0.361 18179 6472 1 11 . 1 1 51 51 ALA H H 86 7.748 7.748 7.675 0.073 18179 6473 1 11 . 1 1 52 52 LEU N N 87 118.528 118.528 117.061 1.467 18179 6474 1 11 . 1 1 52 52 LEU HA H 87 4.076 4.076 3.909 0.167 18179 6475 1 11 . 1 1 52 52 LEU CA C 87 57.266 57.266 56.316 0.951 18179 6476 1 11 . 1 1 52 52 LEU CB C 87 41.947 41.947 40.986 0.961 18179 6477 1 11 . 1 1 52 52 LEU H H 87 7.918 7.918 7.498 0.420 18179 6478 1 11 . 1 1 53 53 LYS N N 88 120.398 120.398 120.340 0.058 18179 6479 1 11 . 1 1 53 53 LYS H H 88 7.932 7.932 7.406 0.526 18179 6480 1 11 . 1 1 54 54 LYS N N 89 115.219 115.219 118.758 -3.539 18179 6481 1 11 . 1 1 54 54 LYS HA H 89 3.790 3.790 4.059 -0.269 18179 6482 1 11 . 1 1 54 54 LYS C C 89 178.614 178.614 179.063 -0.449 18179 6483 1 11 . 1 1 54 54 LYS CA C 89 59.308 59.308 59.621 -0.313 18179 6484 1 11 . 1 1 54 54 LYS CB C 89 32.530 32.530 32.474 0.056 18179 6485 1 11 . 1 1 54 54 LYS H H 89 6.889 6.889 7.699 -0.810 18179 6486 1 11 . 1 1 55 55 VAL N N 90 110.991 110.991 117.506 -6.515 18179 6487 1 11 . 1 1 55 55 VAL HA H 90 4.049 4.049 3.958 0.091 18179 6488 1 11 . 1 1 55 55 VAL C C 90 178.054 178.054 177.711 0.343 18179 6489 1 11 . 1 1 55 55 VAL CA C 90 64.467 64.467 65.549 -1.082 18179 6490 1 11 . 1 1 55 55 VAL CB C 90 31.625 31.625 31.122 0.503 18179 6491 1 11 . 1 1 55 55 VAL H H 90 6.748 6.748 7.187 -0.439 18179 6492 1 11 . 1 1 56 56 PHE N N 91 124.010 124.010 119.987 4.023 18179 6493 1 11 . 1 1 56 56 PHE HA H 91 3.829 3.829 4.385 -0.556 18179 6494 1 11 . 1 1 56 56 PHE C C 91 177.496 177.496 177.012 0.484 18179 6495 1 11 . 1 1 56 56 PHE CA C 91 61.854 61.854 59.367 2.486 18179 6496 1 11 . 1 1 56 56 PHE CB C 91 41.828 41.828 37.465 4.363 18179 6497 1 11 . 1 1 56 56 PHE H H 91 8.722 8.722 8.658 0.064 18179 6498 1 11 . 1 1 57 57 ALA N N 92 118.444 118.444 119.004 -0.560 18179 6499 1 11 . 1 1 57 57 ALA HA H 92 4.185 4.185 4.227 -0.042 18179 6500 1 11 . 1 1 57 57 ALA C C 92 180.660 180.660 178.475 2.185 18179 6501 1 11 . 1 1 57 57 ALA CA C 92 54.288 54.288 53.859 0.429 18179 6502 1 11 . 1 1 57 57 ALA CB C 92 18.487 18.487 18.874 -0.387 18179 6503 1 11 . 1 1 57 57 ALA H H 92 8.695 8.695 7.598 1.097 18179 6504 1 11 . 1 1 58 58 GLU N N 93 112.263 112.263 118.730 -6.467 18179 6505 1 11 . 1 1 58 58 GLU HA H 93 4.156 4.156 4.207 -0.051 18179 6506 1 11 . 1 1 58 58 GLU C C 93 175.641 175.641 177.267 -1.626 18179 6507 1 11 . 1 1 58 58 GLU CA C 93 55.883 55.883 57.959 -2.076 18179 6508 1 11 . 1 1 58 58 GLU CB C 93 30.495 30.495 30.498 -0.003 18179 6509 1 11 . 1 1 58 58 GLU H H 93 7.108 7.108 7.816 -0.708 18179 6510 1 11 . 1 1 59 59 ASN N N 94 120.422 120.422 120.213 0.209 18179 6511 1 11 . 1 1 59 59 ASN HA H 94 4.590 4.590 4.884 -0.294 18179 6512 1 11 . 1 1 59 59 ASN C C 94 174.151 174.151 175.304 -1.153 18179 6513 1 11 . 1 1 59 59 ASN CA C 94 54.056 54.056 52.676 1.380 18179 6514 1 11 . 1 1 59 59 ASN CB C 94 38.723 38.723 38.281 0.442 18179 6515 1 11 . 1 1 59 59 ASN H H 94 7.269 7.269 8.355 -1.086 18179 6516 1 11 . 1 1 60 60 LYS N N 95 127.497 127.497 124.712 2.785 18179 6517 1 11 . 1 1 60 60 LYS HA H 95 3.770 3.770 3.949 -0.179 18179 6518 1 11 . 1 1 60 60 LYS C C 95 178.959 178.959 177.140 1.819 18179 6519 1 11 . 1 1 60 60 LYS CA C 95 59.337 59.337 59.482 -0.145 18179 6520 1 11 . 1 1 60 60 LYS CB C 95 32.170 32.170 32.212 -0.042 18179 6521 1 11 . 1 1 60 60 LYS H H 95 8.672 8.672 7.995 0.677 18179 6522 1 11 . 1 1 61 61 GLU N N 96 119.409 119.409 120.426 -1.017 18179 6523 1 11 . 1 1 61 61 GLU HA H 96 3.984 3.984 4.096 -0.112 18179 6524 1 11 . 1 1 61 61 GLU C C 96 179.574 179.574 178.821 0.753 18179 6525 1 11 . 1 1 61 61 GLU CA C 96 59.955 59.955 59.034 0.921 18179 6526 1 11 . 1 1 61 61 GLU CB C 96 29.246 29.246 28.386 0.860 18179 6527 1 11 . 1 1 61 61 GLU H H 96 7.988 7.988 8.194 -0.206 18179 6528 1 11 . 1 1 62 62 ILE N N 97 122.621 122.621 120.369 2.252 18179 6529 1 11 . 1 1 62 62 ILE HA H 97 3.224 3.224 3.692 -0.468 18179 6530 1 11 . 1 1 62 62 ILE C C 97 177.158 177.158 178.283 -1.125 18179 6531 1 11 . 1 1 62 62 ILE CA C 97 65.787 65.787 64.604 1.183 18179 6532 1 11 . 1 1 62 62 ILE CB C 97 37.710 37.710 37.718 -0.008 18179 6533 1 11 . 1 1 62 62 ILE H H 97 8.484 8.484 7.666 0.818 18179 6534 1 11 . 1 1 63 63 GLN N N 98 115.619 115.619 119.512 -3.893 18179 6535 1 11 . 1 1 63 63 GLN HA H 98 3.481 3.481 3.990 -0.509 18179 6536 1 11 . 1 1 63 63 GLN C C 98 178.097 178.097 178.393 -0.296 18179 6537 1 11 . 1 1 63 63 GLN CA C 98 58.601 58.601 59.206 -0.605 18179 6538 1 11 . 1 1 63 63 GLN CB C 98 28.834 28.834 28.537 0.297 18179 6539 1 11 . 1 1 63 63 GLN H H 98 8.046 8.046 7.953 0.093 18179 6540 1 11 . 1 1 64 64 LYS N N 99 116.464 116.464 119.492 -3.028 18179 6541 1 11 . 1 1 64 64 LYS HA H 99 4.125 4.125 4.043 0.082 18179 6542 1 11 . 1 1 64 64 LYS C C 99 179.740 179.740 179.255 0.485 18179 6543 1 11 . 1 1 64 64 LYS CA C 99 57.955 57.955 59.242 -1.287 18179 6544 1 11 . 1 1 64 64 LYS CB C 99 32.054 32.054 32.410 -0.356 18179 6545 1 11 . 1 1 64 64 LYS H H 99 7.578 7.578 7.962 -0.384 18179 6546 1 11 . 1 1 65 65 LEU N N 100 122.576 122.576 118.803 3.773 18179 6547 1 11 . 1 1 65 65 LEU HA H 100 4.128 4.128 4.073 0.055 18179 6548 1 11 . 1 1 65 65 LEU C C 100 178.481 178.481 178.368 0.113 18179 6549 1 11 . 1 1 65 65 LEU CA C 100 57.044 57.044 56.814 0.230 18179 6550 1 11 . 1 1 65 65 LEU CB C 100 41.883 41.883 41.864 0.019 18179 6551 1 11 . 1 1 65 65 LEU H H 100 7.916 7.916 7.646 0.270 18179 6552 1 11 . 1 1 66 66 ALA N N 101 119.534 119.534 120.934 -1.400 18179 6553 1 11 . 1 1 66 66 ALA HA H 101 3.810 3.810 4.131 -0.321 18179 6554 1 11 . 1 1 66 66 ALA C C 101 177.520 177.520 178.382 -0.862 18179 6555 1 11 . 1 1 66 66 ALA CA C 101 54.772 54.772 54.721 0.051 18179 6556 1 11 . 1 1 66 66 ALA CB C 101 17.737 17.737 18.189 -0.452 18179 6557 1 11 . 1 1 66 66 ALA H H 101 8.511 8.511 7.982 0.529 18179 6558 1 11 . 1 1 67 67 GLU N N 102 113.081 113.081 115.908 -2.827 18179 6559 1 11 . 1 1 67 67 GLU HA H 102 4.113 4.113 4.046 0.067 18179 6560 1 11 . 1 1 67 67 GLU C C 102 178.295 178.295 177.297 0.998 18179 6561 1 11 . 1 1 67 67 GLU CA C 102 58.285 58.285 58.219 0.066 18179 6562 1 11 . 1 1 67 67 GLU CB C 102 29.952 29.952 29.708 0.244 18179 6563 1 11 . 1 1 67 67 GLU H H 102 7.039 7.039 7.505 -0.466 18179 6564 1 11 . 1 1 68 68 GLN N N 103 116.244 116.244 116.091 0.153 18179 6565 1 11 . 1 1 68 68 GLN HA H 103 4.107 4.107 4.197 -0.089 18179 6566 1 11 . 1 1 68 68 GLN C C 103 173.173 173.173 176.936 -3.763 18179 6567 1 11 . 1 1 68 68 GLN CA C 103 56.094 56.094 56.541 -0.447 18179 6568 1 11 . 1 1 68 68 GLN CB C 103 28.703 28.703 29.293 -0.590 18179 6569 1 11 . 1 1 68 68 GLN H H 103 8.167 8.167 7.164 1.003 18179 6570 1 11 . 1 1 69 69 PHE N N 104 116.822 116.822 119.889 -3.067 18179 6571 1 11 . 1 1 69 69 PHE HA H 104 4.645 4.645 4.618 0.027 18179 6572 1 11 . 1 1 69 69 PHE C C 104 177.346 177.346 176.499 0.847 18179 6573 1 11 . 1 1 69 69 PHE CA C 104 57.254 57.254 57.541 -0.286 18179 6574 1 11 . 1 1 69 69 PHE CB C 104 40.897 40.897 40.305 0.592 18179 6575 1 11 . 1 1 69 69 PHE H H 104 7.633 7.633 8.244 -0.611 18179 6576 1 11 . 1 1 70 70 VAL N N 105 120.799 120.799 121.753 -0.954 18179 6577 1 11 . 1 1 70 70 VAL HA H 105 3.867 3.867 4.267 -0.400 18179 6578 1 11 . 1 1 70 70 VAL C C 105 174.191 174.191 175.447 -1.256 18179 6579 1 11 . 1 1 70 70 VAL CA C 105 63.450 63.450 61.159 2.291 18179 6580 1 11 . 1 1 70 70 VAL CB C 105 31.566 31.566 31.253 0.313 18179 6581 1 11 . 1 1 70 70 VAL H H 105 8.943 8.943 8.746 0.197 18179 6582 1 11 . 1 1 71 71 LEU N N 106 129.105 129.105 128.081 1.024 18179 6583 1 11 . 1 1 71 71 LEU HA H 106 4.850 4.850 4.251 0.599 18179 6584 1 11 . 1 1 71 71 LEU CA C 106 53.854 53.854 55.508 -1.654 18179 6585 1 11 . 1 1 71 71 LEU CB C 106 44.478 44.478 41.864 2.614 18179 6586 1 11 . 1 1 71 71 LEU H H 106 8.432 8.432 8.515 -0.083 18179 6587 1 11 . 1 1 72 72 LEU N N 107 123.682 123.682 125.484 -1.802 18179 6588 1 11 . 1 1 72 72 LEU H H 107 8.298 8.298 7.910 0.388 18179 6589 1 11 . 1 1 73 73 ASN N N 108 125.520 125.520 125.261 0.259 18179 6590 1 11 . 1 1 73 73 ASN CA C 108 51.631 51.631 51.777 -0.146 18179 6591 1 11 . 1 1 73 73 ASN CB C 108 41.484 41.484 38.375 3.109 18179 6592 1 11 . 1 1 73 73 ASN H H 108 9.761 9.761 8.601 1.160 18179 6593 1 11 . 1 1 74 74 LEU N N 109 122.070 122.070 118.977 3.093 18179 6594 1 11 . 1 1 74 74 LEU H H 109 8.563 8.563 7.084 1.479 18179 6595 1 11 . 1 1 75 75 VAL HA H 110 5.100 5.100 4.312 0.788 18179 6596 1 11 . 1 1 75 75 VAL CA C 110 59.157 59.157 62.874 -3.717 18179 6597 1 11 . 1 1 76 76 TYR N N 111 120.641 120.641 116.694 3.947 18179 6598 1 11 . 1 1 76 76 TYR HA H 111 4.569 4.569 4.576 -0.007 18179 6599 1 11 . 1 1 76 76 TYR C C 111 175.393 175.393 173.767 1.626 18179 6600 1 11 . 1 1 76 76 TYR CA C 111 57.736 57.736 57.802 -0.066 18179 6601 1 11 . 1 1 76 76 TYR CB C 111 39.426 39.426 40.324 -0.898 18179 6602 1 11 . 1 1 76 76 TYR H H 111 8.255 8.255 7.856 0.399 18179 6603 1 11 . 1 1 79 79 THR HA H 114 4.180 4.180 4.216 -0.036 18179 6604 1 11 . 1 1 79 79 THR CA C 114 61.295 61.295 61.960 -0.665 18179 6605 1 11 . 1 1 79 79 THR CB C 114 68.683 68.683 69.525 -0.842 18179 6606 1 11 . 1 1 80 80 ASP N N 115 121.026 121.026 121.951 -0.925 18179 6607 1 11 . 1 1 80 80 ASP C C 115 177.959 177.959 175.568 2.391 18179 6608 1 11 . 1 1 80 80 ASP CA C 115 53.276 53.276 53.981 -0.705 18179 6609 1 11 . 1 1 80 80 ASP H H 115 7.746 7.746 8.488 -0.742 18179 6610 1 11 . 1 1 81 81 LYS N N 116 129.056 129.056 123.039 6.017 18179 6611 1 11 . 1 1 81 81 LYS HA H 116 3.828 3.828 4.133 -0.305 18179 6612 1 11 . 1 1 81 81 LYS C C 116 179.118 179.118 177.285 1.833 18179 6613 1 11 . 1 1 81 81 LYS CA C 116 57.957 57.957 57.545 0.411 18179 6614 1 11 . 1 1 81 81 LYS CB C 116 31.273 31.273 33.278 -2.005 18179 6615 1 11 . 1 1 81 81 LYS H H 116 8.873 8.873 8.510 0.363 18179 6616 1 11 . 1 1 82 82 HIS N N 117 116.887 116.887 114.445 2.442 18179 6617 1 11 . 1 1 82 82 HIS HA H 117 4.290 4.290 4.642 -0.352 18179 6618 1 11 . 1 1 82 82 HIS C C 117 175.622 175.622 175.957 -0.335 18179 6619 1 11 . 1 1 82 82 HIS CA C 117 57.865 57.865 57.804 0.061 18179 6620 1 11 . 1 1 82 82 HIS CB C 117 27.704 27.704 32.604 -4.900 18179 6621 1 11 . 1 1 82 82 HIS H H 117 8.707 8.707 8.439 0.268 18179 6622 1 11 . 1 1 83 83 LEU N N 118 113.733 113.733 118.941 -5.208 18179 6623 1 11 . 1 1 83 83 LEU HA H 118 4.290 4.290 4.576 -0.286 18179 6624 1 11 . 1 1 83 83 LEU C C 118 175.949 175.949 176.110 -0.161 18179 6625 1 11 . 1 1 83 83 LEU CA C 118 53.982 53.982 55.369 -1.387 18179 6626 1 11 . 1 1 83 83 LEU CB C 118 41.734 41.734 44.712 -2.978 18179 6627 1 11 . 1 1 83 83 LEU H H 118 7.332 7.332 7.852 -0.520 18179 6628 1 11 . 1 1 84 84 SER N N 119 111.979 111.979 117.987 -6.008 18179 6629 1 11 . 1 1 84 84 SER HA H 119 4.632 4.632 4.324 0.308 18179 6630 1 11 . 1 1 84 84 SER C C 119 173.830 173.830 173.975 -0.145 18179 6631 1 11 . 1 1 84 84 SER CA C 119 55.581 55.581 58.438 -2.857 18179 6632 1 11 . 1 1 84 84 SER CB C 119 62.367 62.367 62.971 -0.604 18179 6633 1 11 . 1 1 84 84 SER H H 119 7.268 7.268 8.073 -0.805 18179 6634 1 11 . 1 1 85 85 PRO HA H 120 4.384 4.384 4.319 0.065 18179 6635 1 11 . 1 1 85 85 PRO C C 120 177.881 177.881 176.704 1.177 18179 6636 1 11 . 1 1 85 85 PRO CA C 120 65.292 65.292 64.775 0.517 18179 6637 1 11 . 1 1 85 85 PRO CB C 120 31.942 31.942 32.047 -0.105 18179 6638 1 11 . 1 1 86 86 ASP N N 121 117.614 117.614 116.797 0.817 18179 6639 1 11 . 1 1 86 86 ASP HA H 121 4.960 4.960 4.639 0.321 18179 6640 1 11 . 1 1 86 86 ASP C C 121 174.734 174.734 176.300 -1.566 18179 6641 1 11 . 1 1 86 86 ASP CA C 121 51.999 51.999 54.027 -2.028 18179 6642 1 11 . 1 1 86 86 ASP CB C 121 40.327 40.327 42.354 -2.027 18179 6643 1 11 . 1 1 86 86 ASP H H 121 8.882 8.882 7.928 0.954 18179 6644 1 11 . 1 1 87 87 GLY N N 122 106.815 106.815 109.733 -2.918 18179 6645 1 11 . 1 1 87 87 GLY C C 122 173.401 173.401 174.390 -0.989 18179 6646 1 11 . 1 1 87 87 GLY CA C 122 43.814 43.814 45.104 -1.290 18179 6647 1 11 . 1 1 87 87 GLY H H 122 6.973 6.973 8.105 -1.132 18179 6648 1 11 . 1 1 88 88 GLN N N 123 118.319 118.319 119.104 -0.785 18179 6649 1 11 . 1 1 88 88 GLN HA H 123 3.984 3.984 4.261 -0.277 18179 6650 1 11 . 1 1 88 88 GLN C C 123 174.141 174.141 174.880 -0.739 18179 6651 1 11 . 1 1 88 88 GLN CA C 123 54.717 54.717 56.269 -1.552 18179 6652 1 11 . 1 1 88 88 GLN CB C 123 27.267 27.267 29.531 -2.264 18179 6653 1 11 . 1 1 88 88 GLN H H 123 8.224 8.224 8.461 -0.237 18179 6654 1 11 . 1 1 89 89 TYR N N 124 117.220 117.220 111.414 5.806 18179 6655 1 11 . 1 1 89 89 TYR HA H 124 4.596 4.596 4.694 -0.098 18179 6656 1 11 . 1 1 89 89 TYR C C 124 173.402 173.402 173.942 -0.540 18179 6657 1 11 . 1 1 89 89 TYR CA C 124 54.672 54.672 55.174 -0.502 18179 6658 1 11 . 1 1 89 89 TYR CB C 124 38.970 38.970 38.536 0.434 18179 6659 1 11 . 1 1 89 89 TYR H H 124 5.954 5.954 6.930 -0.976 18179 6660 1 11 . 1 1 90 90 VAL N N 125 109.249 109.249 116.657 -7.408 18179 6661 1 11 . 1 1 90 90 VAL HA H 125 4.572 4.572 4.379 0.193 18179 6662 1 11 . 1 1 90 90 VAL C C 125 173.254 173.254 175.109 -1.855 18179 6663 1 11 . 1 1 90 90 VAL CA C 125 57.982 57.982 59.347 -1.365 18179 6664 1 11 . 1 1 90 90 VAL CB C 125 35.376 35.376 30.878 4.498 18179 6665 1 11 . 1 1 90 90 VAL H H 125 8.303 8.303 8.689 -0.386 18179 6666 1 11 . 1 1 92 92 ARG HA H 127 5.178 5.178 3.400 1.778 18179 6667 1 11 . 1 1 92 92 ARG CA C 127 55.689 55.689 58.316 -2.627 18179 6668 1 11 . 1 1 93 93 ILE N N 128 127.696 127.696 119.361 8.335 18179 6669 1 11 . 1 1 93 93 ILE HA H 128 5.088 5.088 4.265 0.823 18179 6670 1 11 . 1 1 93 93 ILE CA C 128 61.063 61.063 60.400 0.663 18179 6671 1 11 . 1 1 93 93 ILE CB C 128 39.101 39.101 37.994 1.107 18179 6672 1 11 . 1 1 93 93 ILE H H 128 9.099 9.099 7.691 1.408 18179 6673 1 11 . 1 1 94 94 MET N N 129 122.683 122.683 121.154 1.529 18179 6674 1 11 . 1 1 94 94 MET C C 129 174.006 174.006 173.851 0.155 18179 6675 1 11 . 1 1 94 94 MET CA C 129 51.503 51.503 54.108 -2.605 18179 6676 1 11 . 1 1 94 94 MET CB C 129 34.764 34.764 36.489 -1.725 18179 6677 1 11 . 1 1 94 94 MET H H 129 8.496 8.496 7.886 0.610 18179 6678 1 11 . 1 1 95 95 PHE N N 130 118.014 118.014 116.480 1.534 18179 6679 1 11 . 1 1 95 95 PHE HA H 130 5.589 5.589 4.878 0.711 18179 6680 1 11 . 1 1 95 95 PHE C C 130 174.811 174.811 173.871 0.940 18179 6681 1 11 . 1 1 95 95 PHE CA C 130 56.432 56.432 55.736 0.696 18179 6682 1 11 . 1 1 95 95 PHE CB C 130 41.941 41.941 41.633 0.308 18179 6683 1 11 . 1 1 95 95 PHE H H 130 8.573 8.573 7.513 1.060 18179 6684 1 11 . 1 1 96 96 VAL N N 131 122.847 122.847 120.446 2.401 18179 6685 1 11 . 1 1 96 96 VAL HA H 131 4.337 4.337 4.383 -0.046 18179 6686 1 11 . 1 1 96 96 VAL C C 131 174.303 174.303 174.247 0.056 18179 6687 1 11 . 1 1 96 96 VAL CA C 131 61.405 61.405 60.684 0.722 18179 6688 1 11 . 1 1 96 96 VAL CB C 131 34.679 34.679 36.218 -1.539 18179 6689 1 11 . 1 1 96 96 VAL H H 131 9.855 9.855 9.311 0.544 18179 6690 1 11 . 1 1 97 97 ASP N N 132 128.042 128.042 123.922 4.120 18179 6691 1 11 . 1 1 97 97 ASP HA H 132 4.883 4.883 4.796 0.087 18179 6692 1 11 . 1 1 97 97 ASP C C 132 174.958 174.958 176.483 -1.525 18179 6693 1 11 . 1 1 97 97 ASP CA C 132 53.082 53.082 52.037 1.045 18179 6694 1 11 . 1 1 97 97 ASP CB C 132 45.484 45.484 42.438 3.046 18179 6695 1 11 . 1 1 97 97 ASP H H 132 8.399 8.399 8.652 -0.253 18179 6696 1 11 . 1 1 98 98 PRO HA H 133 4.566 4.566 4.285 0.281 18179 6697 1 11 . 1 1 98 98 PRO C C 133 175.650 175.650 177.102 -1.452 18179 6698 1 11 . 1 1 98 98 PRO CA C 133 65.207 65.207 64.104 1.103 18179 6699 1 11 . 1 1 98 98 PRO CB C 133 31.858 31.858 31.700 0.158 18179 6700 1 11 . 1 1 99 99 SER N N 134 111.171 111.171 113.138 -1.967 18179 6701 1 11 . 1 1 99 99 SER HA H 134 4.122 4.122 4.336 -0.214 18179 6702 1 11 . 1 1 99 99 SER C C 134 175.303 175.303 174.614 0.689 18179 6703 1 11 . 1 1 99 99 SER CA C 134 60.237 60.237 59.106 1.131 18179 6704 1 11 . 1 1 99 99 SER CB C 134 64.471 64.471 63.064 1.407 18179 6705 1 11 . 1 1 99 99 SER H H 134 8.154 8.154 8.074 0.080 18179 6706 1 11 . 1 1 100 100 LEU N N 135 118.112 118.112 113.916 4.196 18179 6707 1 11 . 1 1 100 100 LEU HA H 135 3.683 3.683 3.992 -0.309 18179 6708 1 11 . 1 1 100 100 LEU C C 135 175.886 175.886 175.368 0.518 18179 6709 1 11 . 1 1 100 100 LEU CA C 135 56.548 56.548 56.259 0.289 18179 6710 1 11 . 1 1 100 100 LEU CB C 135 36.922 36.922 39.817 -2.895 18179 6711 1 11 . 1 1 100 100 LEU H H 135 9.194 9.194 7.838 1.356 18179 6712 1 11 . 1 1 101 101 THR N N 136 116.048 116.048 111.032 5.016 18179 6713 1 11 . 1 1 101 101 THR HA H 136 4.191 4.191 4.553 -0.362 18179 6714 1 11 . 1 1 101 101 THR C C 136 173.771 173.771 172.660 1.111 18179 6715 1 11 . 1 1 101 101 THR CA C 136 62.123 62.123 60.610 1.513 18179 6716 1 11 . 1 1 101 101 THR CB C 136 70.407 70.407 71.726 -1.319 18179 6717 1 11 . 1 1 101 101 THR H H 136 7.022 7.022 7.306 -0.284 18179 6718 1 11 . 1 1 102 102 VAL N N 137 129.098 129.098 121.893 7.205 18179 6719 1 11 . 1 1 102 102 VAL HA H 137 3.874 3.874 4.036 -0.162 18179 6720 1 11 . 1 1 102 102 VAL C C 137 177.079 177.079 175.877 1.202 18179 6721 1 11 . 1 1 102 102 VAL CA C 137 64.163 64.163 63.217 0.946 18179 6722 1 11 . 1 1 102 102 VAL CB C 137 31.858 31.858 31.924 -0.066 18179 6723 1 11 . 1 1 102 102 VAL H H 137 9.039 9.039 8.352 0.687 18179 6724 1 11 . 1 1 103 103 ARG N N 138 128.421 128.421 127.938 0.483 18179 6725 1 11 . 1 1 103 103 ARG HA H 138 4.724 4.724 4.492 0.232 18179 6726 1 11 . 1 1 103 103 ARG C C 138 177.315 177.315 175.049 2.266 18179 6727 1 11 . 1 1 103 103 ARG CA C 138 50.845 50.845 54.666 -3.821 18179 6728 1 11 . 1 1 103 103 ARG CB C 138 25.210 25.210 29.005 -3.795 18179 6729 1 11 . 1 1 103 103 ARG H H 138 9.355 9.355 8.603 0.752 18179 6730 1 11 . 1 1 104 104 ALA N N 139 130.638 130.638 122.157 8.481 18179 6731 1 11 . 1 1 104 104 ALA HA H 139 4.128 4.128 4.434 -0.305 18179 6732 1 11 . 1 1 104 104 ALA C C 139 170.819 170.819 174.809 -3.990 18179 6733 1 11 . 1 1 104 104 ALA CA C 139 53.517 53.517 51.703 1.814 18179 6734 1 11 . 1 1 104 104 ALA CB C 139 18.047 18.047 20.419 -2.372 18179 6735 1 11 . 1 1 104 104 ALA H H 139 8.340 8.340 7.746 0.594 18179 6736 1 11 . 1 1 105 105 ASP N N 140 113.599 113.599 119.965 -6.366 18179 6737 1 11 . 1 1 105 105 ASP HA H 140 4.356 4.356 4.955 -0.599 18179 6738 1 11 . 1 1 105 105 ASP C C 140 175.173 175.173 175.108 0.065 18179 6739 1 11 . 1 1 105 105 ASP CA C 140 54.097 54.097 53.918 0.179 18179 6740 1 11 . 1 1 105 105 ASP CB C 140 39.219 39.219 42.375 -3.156 18179 6741 1 11 . 1 1 105 105 ASP H H 140 9.653 9.653 8.512 1.141 18179 6742 1 11 . 1 1 106 106 ILE N N 141 122.867 122.867 122.021 0.846 18179 6743 1 11 . 1 1 106 106 ILE HA H 141 4.332 4.332 4.360 -0.028 18179 6744 1 11 . 1 1 106 106 ILE C C 141 174.778 174.778 176.173 -1.395 18179 6745 1 11 . 1 1 106 106 ILE CA C 141 62.464 62.464 60.659 1.805 18179 6746 1 11 . 1 1 106 106 ILE CB C 141 36.210 36.210 39.924 -3.714 18179 6747 1 11 . 1 1 106 106 ILE H H 141 7.541 7.541 8.206 -0.665 18179 6748 1 11 . 1 1 107 107 THR N N 142 117.525 117.525 116.325 1.200 18179 6749 1 11 . 1 1 107 107 THR HA H 142 4.721 4.721 4.397 0.324 18179 6750 1 11 . 1 1 107 107 THR C C 142 175.898 175.898 175.247 0.651 18179 6751 1 11 . 1 1 107 107 THR CA C 142 59.199 59.199 61.557 -2.358 18179 6752 1 11 . 1 1 107 107 THR CB C 142 71.817 71.817 70.005 1.812 18179 6753 1 11 . 1 1 107 107 THR H H 142 7.816 7.816 8.308 -0.492 18179 6754 1 11 . 1 1 108 108 GLY N N 143 109.853 109.853 106.613 3.240 18179 6755 1 11 . 1 1 108 108 GLY C C 143 174.389 174.389 173.807 0.582 18179 6756 1 11 . 1 1 108 108 GLY CA C 143 44.291 44.291 44.819 -0.527 18179 6757 1 11 . 1 1 108 108 GLY H H 143 8.891 8.891 8.413 0.478 18179 6758 1 11 . 1 1 109 109 ARG N N 144 116.076 116.076 117.202 -1.126 18179 6759 1 11 . 1 1 109 109 ARG HA H 144 4.006 4.006 3.717 0.289 18179 6760 1 11 . 1 1 109 109 ARG C C 144 176.521 176.521 175.360 1.161 18179 6761 1 11 . 1 1 109 109 ARG CA C 144 55.989 55.989 56.157 -0.168 18179 6762 1 11 . 1 1 109 109 ARG CB C 144 30.851 30.851 28.848 2.003 18179 6763 1 11 . 1 1 109 109 ARG H H 144 8.108 8.108 7.827 0.281 18179 6764 1 11 . 1 1 110 110 TYR N N 145 123.010 123.010 118.553 4.457 18179 6765 1 11 . 1 1 110 110 TYR HA H 145 4.506 4.506 4.327 0.179 18179 6766 1 11 . 1 1 110 110 TYR C C 145 178.395 178.395 176.142 2.253 18179 6767 1 11 . 1 1 110 110 TYR CA C 145 57.217 57.217 58.018 -0.801 18179 6768 1 11 . 1 1 110 110 TYR CB C 145 37.232 37.232 38.061 -0.829 18179 6769 1 11 . 1 1 110 110 TYR H H 145 8.825 8.825 7.093 1.732 18179 6770 1 11 . 1 1 111 111 SER N N 146 120.152 120.152 116.835 3.317 18179 6771 1 11 . 1 1 111 111 SER HA H 146 3.948 3.948 4.317 -0.369 18179 6772 1 11 . 1 1 111 111 SER C C 146 174.939 174.939 175.279 -0.340 18179 6773 1 11 . 1 1 111 111 SER CA C 146 60.850 60.850 58.986 1.864 18179 6774 1 11 . 1 1 111 111 SER CB C 146 62.776 62.776 63.097 -0.321 18179 6775 1 11 . 1 1 111 111 SER H H 146 8.616 8.616 8.655 -0.039 18179 6776 1 11 . 1 1 112 112 ASN N N 147 116.146 116.146 119.675 -3.529 18179 6777 1 11 . 1 1 112 112 ASN HA H 147 4.558 4.558 4.538 0.020 18179 6778 1 11 . 1 1 112 112 ASN C C 147 173.693 173.693 175.675 -1.982 18179 6779 1 11 . 1 1 112 112 ASN CA C 147 53.209 53.209 55.008 -1.799 18179 6780 1 11 . 1 1 112 112 ASN CB C 147 37.534 37.534 38.751 -1.217 18179 6781 1 11 . 1 1 112 112 ASN H H 147 8.374 8.374 8.181 0.193 18179 6782 1 11 . 1 1 113 113 ARG N N 148 121.673 121.673 119.773 1.900 18179 6783 1 11 . 1 1 113 113 ARG HA H 148 4.226 4.226 4.490 -0.264 18179 6784 1 11 . 1 1 113 113 ARG C C 148 176.358 176.358 174.869 1.489 18179 6785 1 11 . 1 1 113 113 ARG CA C 148 55.251 55.251 55.447 -0.196 18179 6786 1 11 . 1 1 113 113 ARG CB C 148 30.973 30.973 31.040 -0.067 18179 6787 1 11 . 1 1 113 113 ARG H H 148 6.782 6.782 8.317 -1.535 18179 6788 1 11 . 1 1 114 114 LEU N N 149 125.966 125.966 124.369 1.597 18179 6789 1 11 . 1 1 114 114 LEU HA H 149 3.776 3.776 4.240 -0.464 18179 6790 1 11 . 1 1 114 114 LEU C C 149 175.787 175.787 175.796 -0.009 18179 6791 1 11 . 1 1 114 114 LEU CA C 149 57.640 57.640 55.131 2.509 18179 6792 1 11 . 1 1 114 114 LEU CB C 149 43.153 43.153 42.913 0.240 18179 6793 1 11 . 1 1 114 114 LEU H H 149 9.976 9.976 8.457 1.519 18179 6794 1 11 . 1 1 115 115 TYR N N 150 115.137 115.137 117.378 -2.241 18179 6795 1 11 . 1 1 115 115 TYR HA H 150 4.947 4.947 4.882 0.065 18179 6796 1 11 . 1 1 115 115 TYR C C 150 174.449 174.449 174.713 -0.264 18179 6797 1 11 . 1 1 115 115 TYR CA C 150 55.986 55.986 57.017 -1.031 18179 6798 1 11 . 1 1 115 115 TYR CB C 150 38.660 38.660 39.799 -1.139 18179 6799 1 11 . 1 1 115 115 TYR H H 150 8.272 8.272 7.486 0.786 18179 6800 1 11 . 1 1 116 116 ALA N N 151 121.349 121.349 127.609 -6.260 18179 6801 1 11 . 1 1 116 116 ALA HA H 151 5.086 5.086 4.617 0.469 18179 6802 1 11 . 1 1 116 116 ALA C C 151 177.541 177.541 175.307 2.234 18179 6803 1 11 . 1 1 116 116 ALA CA C 151 51.614 51.614 50.549 1.065 18179 6804 1 11 . 1 1 116 116 ALA CB C 151 21.262 21.262 21.163 0.099 18179 6805 1 11 . 1 1 116 116 ALA H H 151 7.515 7.515 9.172 -1.657 18179 6806 1 11 . 1 1 117 117 TYR N N 152 115.287 115.287 115.017 0.270 18179 6807 1 11 . 1 1 117 117 TYR HA H 152 4.693 4.693 4.541 0.152 18179 6808 1 11 . 1 1 117 117 TYR C C 152 173.749 173.749 175.023 -1.274 18179 6809 1 11 . 1 1 117 117 TYR CA C 152 58.142 58.142 57.286 0.856 18179 6810 1 11 . 1 1 117 117 TYR CB C 152 42.827 42.827 38.962 3.865 18179 6811 1 11 . 1 1 117 117 TYR H H 152 6.916 6.916 7.496 -0.580 18179 6812 1 11 . 1 1 118 118 GLU N N 153 122.624 122.624 121.695 0.929 18179 6813 1 11 . 1 1 118 118 GLU HA H 153 4.951 4.951 4.616 0.335 18179 6814 1 11 . 1 1 118 118 GLU C C 153 175.895 175.895 175.767 0.128 18179 6815 1 11 . 1 1 118 118 GLU CA C 153 54.029 54.029 54.273 -0.244 18179 6816 1 11 . 1 1 118 118 GLU CB C 153 29.513 29.513 29.042 0.471 18179 6817 1 11 . 1 1 118 118 GLU H H 153 9.508 9.508 7.846 1.662 18179 6818 1 11 . 1 1 119 119 PRO HA H 154 4.119 4.119 4.344 -0.225 18179 6819 1 11 . 1 1 119 119 PRO C C 154 176.457 176.457 177.314 -0.857 18179 6820 1 11 . 1 1 119 119 PRO CA C 154 66.240 66.240 64.951 1.290 18179 6821 1 11 . 1 1 119 119 PRO CB C 154 31.682 31.682 31.341 0.341 18179 6822 1 11 . 1 1 120 120 ALA N N 155 114.721 114.721 119.310 -4.589 18179 6823 1 11 . 1 1 120 120 ALA HA H 155 4.372 4.372 4.154 0.218 18179 6824 1 11 . 1 1 120 120 ALA C C 155 178.528 178.528 179.203 -0.675 18179 6825 1 11 . 1 1 120 120 ALA CA C 155 53.148 53.148 54.419 -1.271 18179 6826 1 11 . 1 1 120 120 ALA CB C 155 18.782 18.782 18.632 0.150 18179 6827 1 11 . 1 1 120 120 ALA H H 155 7.697 7.697 7.940 -0.243 18179 6828 1 11 . 1 1 121 121 ASP N N 156 117.502 117.502 117.112 0.390 18179 6829 1 11 . 1 1 121 121 ASP HA H 156 5.154 5.154 4.641 0.513 18179 6830 1 11 . 1 1 121 121 ASP C C 156 176.756 176.756 176.768 -0.012 18179 6831 1 11 . 1 1 121 121 ASP CA C 156 54.742 54.742 53.400 1.342 18179 6832 1 11 . 1 1 121 121 ASP CB C 156 42.326 42.326 40.379 1.947 18179 6833 1 11 . 1 1 121 121 ASP H H 156 8.493 8.493 8.046 0.447 18179 6834 1 11 . 1 1 122 122 THR N N 157 111.372 111.372 113.695 -2.323 18179 6835 1 11 . 1 1 122 122 THR HA H 157 3.738 3.738 4.034 -0.296 18179 6836 1 11 . 1 1 122 122 THR C C 157 176.023 176.023 176.091 -0.068 18179 6837 1 11 . 1 1 122 122 THR CA C 157 66.673 66.673 65.569 1.104 18179 6838 1 11 . 1 1 122 122 THR CB C 157 67.967 67.967 68.623 -0.656 18179 6839 1 11 . 1 1 122 122 THR H H 157 7.428 7.428 7.585 -0.157 18179 6840 1 11 . 1 1 123 123 ALA N N 158 123.853 123.853 124.526 -0.673 18179 6841 1 11 . 1 1 123 123 ALA HA H 158 4.133 4.133 4.198 -0.065 18179 6842 1 11 . 1 1 123 123 ALA C C 158 179.987 179.987 179.291 0.696 18179 6843 1 11 . 1 1 123 123 ALA CA C 158 55.545 55.545 55.036 0.509 18179 6844 1 11 . 1 1 123 123 ALA CB C 158 17.458 17.458 18.167 -0.709 18179 6845 1 11 . 1 1 123 123 ALA H H 158 8.663 8.663 8.083 0.580 18179 6846 1 11 . 1 1 124 124 LEU N N 159 121.199 121.199 120.027 1.172 18179 6847 1 11 . 1 1 124 124 LEU HA H 159 4.229 4.229 4.059 0.170 18179 6848 1 11 . 1 1 124 124 LEU C C 159 178.342 178.342 179.033 -0.691 18179 6849 1 11 . 1 1 124 124 LEU CA C 159 57.329 57.329 57.524 -0.195 18179 6850 1 11 . 1 1 124 124 LEU CB C 159 41.956 41.956 40.866 1.090 18179 6851 1 11 . 1 1 124 124 LEU H H 159 7.444 7.444 7.958 -0.514 18179 6852 1 11 . 1 1 125 125 LEU N N 160 119.836 119.836 120.081 -0.245 18179 6853 1 11 . 1 1 125 125 LEU HA H 160 3.963 3.963 4.069 -0.106 18179 6854 1 11 . 1 1 125 125 LEU C C 160 178.168 178.168 179.021 -0.853 18179 6855 1 11 . 1 1 125 125 LEU CA C 160 58.475 58.475 58.327 0.148 18179 6856 1 11 . 1 1 125 125 LEU CB C 160 40.915 40.915 42.000 -1.085 18179 6857 1 11 . 1 1 125 125 LEU H H 160 8.430 8.430 8.079 0.351 18179 6858 1 11 . 1 1 126 126 LEU N N 161 120.046 120.046 120.383 -0.337 18179 6859 1 11 . 1 1 126 126 LEU HA H 161 4.000 4.000 3.928 0.072 18179 6860 1 11 . 1 1 126 126 LEU C C 161 178.848 178.848 178.191 0.657 18179 6861 1 11 . 1 1 126 126 LEU CA C 161 58.524 58.524 58.215 0.309 18179 6862 1 11 . 1 1 126 126 LEU CB C 161 42.005 42.005 41.543 0.462 18179 6863 1 11 . 1 1 126 126 LEU H H 161 8.127 8.127 7.897 0.230 18179 6864 1 11 . 1 1 127 127 ASP N N 162 119.057 119.057 119.171 -0.114 18179 6865 1 11 . 1 1 127 127 ASP HA H 162 4.267 4.267 4.247 0.020 18179 6866 1 11 . 1 1 127 127 ASP C C 162 179.299 179.299 178.788 0.511 18179 6867 1 11 . 1 1 127 127 ASP CA C 162 57.699 57.699 57.932 -0.233 18179 6868 1 11 . 1 1 127 127 ASP CB C 162 40.564 40.564 40.685 -0.121 18179 6869 1 11 . 1 1 127 127 ASP H H 162 7.872 7.872 8.737 -0.865 18179 6870 1 11 . 1 1 128 128 ASN N N 163 122.268 122.268 118.509 3.759 18179 6871 1 11 . 1 1 128 128 ASN HA H 163 4.423 4.423 4.503 -0.080 18179 6872 1 11 . 1 1 128 128 ASN C C 163 177.256 177.256 177.380 -0.124 18179 6873 1 11 . 1 1 128 128 ASN CA C 163 54.502 54.502 55.869 -1.367 18179 6874 1 11 . 1 1 128 128 ASN CB C 163 36.821 36.821 38.321 -1.500 18179 6875 1 11 . 1 1 128 128 ASN H H 163 8.711 8.711 8.637 0.074 18179 6876 1 11 . 1 1 129 129 MET N N 164 122.448 122.448 119.969 2.479 18179 6877 1 11 . 1 1 129 129 MET HA H 164 3.583 3.583 3.840 -0.257 18179 6878 1 11 . 1 1 129 129 MET C C 164 178.272 178.272 177.651 0.621 18179 6879 1 11 . 1 1 129 129 MET CA C 164 59.617 59.617 58.640 0.977 18179 6880 1 11 . 1 1 129 129 MET CB C 164 34.481 34.481 32.591 1.890 18179 6881 1 11 . 1 1 129 129 MET H H 164 8.704 8.704 8.329 0.375 18179 6882 1 11 . 1 1 130 130 LYS N N 165 117.243 117.243 120.236 -2.993 18179 6883 1 11 . 1 1 130 130 LYS HA H 165 3.869 3.869 4.019 -0.150 18179 6884 1 11 . 1 1 130 130 LYS C C 165 180.050 180.050 178.656 1.394 18179 6885 1 11 . 1 1 130 130 LYS CA C 165 60.517 60.517 58.797 1.720 18179 6886 1 11 . 1 1 130 130 LYS CB C 165 31.836 31.836 31.848 -0.011 18179 6887 1 11 . 1 1 130 130 LYS H H 165 7.767 7.767 8.073 -0.306 18179 6888 1 11 . 1 1 131 131 LYS N N 166 120.486 120.486 118.675 1.811 18179 6889 1 11 . 1 1 131 131 LYS HA H 166 3.853 3.853 4.079 -0.226 18179 6890 1 11 . 1 1 131 131 LYS C C 166 179.232 179.232 178.120 1.112 18179 6891 1 11 . 1 1 131 131 LYS CA C 166 60.171 60.171 58.134 2.037 18179 6892 1 11 . 1 1 131 131 LYS CB C 166 32.783 32.783 31.723 1.060 18179 6893 1 11 . 1 1 131 131 LYS H H 166 7.914 7.914 7.574 0.340 18179 6894 1 11 . 1 1 132 132 ALA N N 167 122.426 122.426 119.956 2.470 18179 6895 1 11 . 1 1 132 132 ALA HA H 167 3.625 3.625 3.955 -0.330 18179 6896 1 11 . 1 1 132 132 ALA C C 167 177.616 177.616 179.378 -1.762 18179 6897 1 11 . 1 1 132 132 ALA CA C 167 54.246 54.246 53.936 0.310 18179 6898 1 11 . 1 1 132 132 ALA CB C 167 18.261 18.261 17.943 0.318 18179 6899 1 11 . 1 1 132 132 ALA H H 167 7.801 7.801 6.882 0.919 18179 6900 1 11 . 1 1 133 133 LEU N N 168 113.735 113.735 117.637 -3.902 18179 6901 1 11 . 1 1 133 133 LEU HA H 168 3.747 3.747 4.278 -0.531 18179 6902 1 11 . 1 1 133 133 LEU C C 168 177.322 177.322 176.838 0.484 18179 6903 1 11 . 1 1 133 133 LEU CA C 168 55.892 55.892 56.203 -0.312 18179 6904 1 11 . 1 1 133 133 LEU CB C 168 42.159 42.159 42.934 -0.776 18179 6905 1 11 . 1 1 133 133 LEU H H 168 7.010 7.010 7.277 -0.267 18179 6906 1 11 . 1 1 134 134 LYS N N 169 123.034 123.034 118.451 4.583 18179 6907 1 11 . 1 1 134 134 LYS HA H 169 4.331 4.331 4.472 -0.141 18179 6908 1 11 . 1 1 134 134 LYS C C 169 174.307 174.307 175.145 -0.838 18179 6909 1 11 . 1 1 134 134 LYS CA C 169 55.382 55.382 54.416 0.966 18179 6910 1 11 . 1 1 134 134 LYS CB C 169 29.718 29.718 32.575 -2.857 18179 6911 1 11 . 1 1 134 134 LYS H H 169 7.202 7.202 7.618 -0.416 18179 6912 1 11 . 1 1 135 135 LEU N N 170 120.490 120.490 125.294 -4.804 18179 6913 1 11 . 1 1 135 135 LEU HA H 170 3.980 3.980 4.517 -0.537 18179 6914 1 11 . 1 1 135 135 LEU C C 170 178.427 178.427 177.229 1.198 18179 6915 1 11 . 1 1 135 135 LEU CA C 170 54.884 54.884 54.634 0.250 18179 6916 1 11 . 1 1 135 135 LEU CB C 170 40.903 40.903 43.185 -2.282 18179 6917 1 11 . 1 1 135 135 LEU H H 170 7.334 7.334 8.293 -0.959 18179 6918 1 11 . 1 1 136 136 LEU N N 171 120.084 120.084 126.155 -6.071 18179 6919 1 11 . 1 1 136 136 LEU HA H 171 4.040 4.040 4.191 -0.151 18179 6920 1 11 . 1 1 136 136 LEU C C 171 178.231 178.231 176.248 1.983 18179 6921 1 11 . 1 1 136 136 LEU CA C 171 55.750 55.750 56.187 -0.437 18179 6922 1 11 . 1 1 136 136 LEU CB C 171 41.734 41.734 42.630 -0.896 18179 6923 1 11 . 1 1 136 136 LEU H H 171 8.614 8.614 8.373 0.241 18179 6924 1 11 . 1 1 137 137 LYS N N 172 121.059 121.059 123.289 -2.230 18179 6925 1 11 . 1 1 137 137 LYS HA H 172 4.333 4.333 4.455 -0.122 18179 6926 1 11 . 1 1 137 137 LYS C C 172 174.388 174.388 176.251 -1.863 18179 6927 1 11 . 1 1 137 137 LYS CA C 172 55.903 55.903 55.697 0.206 18179 6928 1 11 . 1 1 137 137 LYS CB C 172 32.681 32.681 32.946 -0.265 18179 6929 1 11 . 1 1 137 137 LYS H H 172 8.468 8.468 8.250 0.218 18179 6930 1 11 . 1 1 138 138 THR N N 173 116.267 116.267 111.978 4.289 18179 6931 1 11 . 1 1 138 138 THR HA H 173 4.261 4.261 4.136 0.125 18179 6932 1 11 . 1 1 138 138 THR C C 173 174.267 174.267 174.530 -0.263 18179 6933 1 11 . 1 1 138 138 THR CA C 173 61.867 61.867 62.620 -0.753 18179 6934 1 11 . 1 1 138 138 THR CB C 173 69.848 69.848 68.085 1.763 18179 6935 1 11 . 1 1 138 138 THR H H 173 8.095 8.095 8.195 -0.100 18179 6936 1 11 . 1 1 139 139 GLU N N 174 123.648 123.648 121.120 2.528 18179 6937 1 11 . 1 1 139 139 GLU HA H 174 4.288 4.288 4.014 0.274 18179 6938 1 11 . 1 1 139 139 GLU C C 174 175.178 175.178 176.342 -1.164 18179 6939 1 11 . 1 1 139 139 GLU CA C 174 56.205 56.205 58.407 -2.201 18179 6940 1 11 . 1 1 139 139 GLU CB C 174 30.353 30.353 30.068 0.285 18179 6941 1 11 . 1 1 139 139 GLU H H 174 8.293 8.293 8.568 -0.275 18179 6942 1 12 . 1 1 17 17 LEU N N 52 120.529 120.529 121.450 -0.921 18179 6943 1 12 . 1 1 17 17 LEU HA H 52 4.317 4.317 3.995 0.322 18179 6944 1 12 . 1 1 17 17 LEU CA C 52 53.456 53.456 55.422 -1.966 18179 6945 1 12 . 1 1 17 17 LEU CB C 52 42.494 42.494 40.742 1.752 18179 6946 1 12 . 1 1 17 17 LEU H H 52 7.103 7.103 8.839 -1.736 18179 6947 1 12 . 1 1 18 18 ILE CB C 53 36.458 36.458 37.920 -1.462 18179 6948 1 12 . 1 1 23 23 TYR HA H 58 4.359 4.359 4.237 0.122 18179 6949 1 12 . 1 1 23 23 TYR C C 58 176.387 176.387 176.879 -0.492 18179 6950 1 12 . 1 1 23 23 TYR CA C 58 59.597 59.597 61.391 -1.794 18179 6951 1 12 . 1 1 23 23 TYR CB C 58 38.572 38.572 39.043 -0.471 18179 6952 1 12 . 1 1 24 24 GLU N N 59 117.335 117.335 118.354 -1.019 18179 6953 1 12 . 1 1 24 24 GLU CA C 59 60.871 60.871 59.783 1.088 18179 6954 1 12 . 1 1 24 24 GLU CB C 59 28.494 28.494 29.172 -0.678 18179 6955 1 12 . 1 1 24 24 GLU H H 59 9.191 9.191 8.171 1.020 18179 6956 1 12 . 1 1 25 25 ALA N N 60 120.861 120.861 121.103 -0.242 18179 6957 1 12 . 1 1 25 25 ALA CA C 60 54.555 54.555 54.514 0.041 18179 6958 1 12 . 1 1 25 25 ALA CB C 60 18.528 18.528 18.324 0.204 18179 6959 1 12 . 1 1 25 25 ALA H H 60 7.688 7.688 8.055 -0.367 18179 6960 1 12 . 1 1 26 26 ALA N N 61 123.402 123.402 123.045 0.357 18179 6961 1 12 . 1 1 26 26 ALA HA H 61 3.900 3.900 4.031 -0.131 18179 6962 1 12 . 1 1 26 26 ALA CA C 61 55.346 55.346 54.989 0.357 18179 6963 1 12 . 1 1 26 26 ALA CB C 61 19.104 19.104 18.372 0.732 18179 6964 1 12 . 1 1 26 26 ALA H H 61 8.225 8.225 7.461 0.764 18179 6965 1 12 . 1 1 27 27 LEU N N 62 118.742 118.742 117.809 0.933 18179 6966 1 12 . 1 1 27 27 LEU HA H 62 3.700 3.700 4.056 -0.356 18179 6967 1 12 . 1 1 27 27 LEU C C 62 171.911 171.911 180.055 -8.144 18179 6968 1 12 . 1 1 27 27 LEU CA C 62 57.654 57.654 57.138 0.516 18179 6969 1 12 . 1 1 27 27 LEU CB C 62 41.905 41.905 41.446 0.459 18179 6970 1 12 . 1 1 27 27 LEU H H 62 8.336 8.336 7.571 0.765 18179 6971 1 12 . 1 1 28 28 TYR N N 63 117.594 117.594 118.188 -0.594 18179 6972 1 12 . 1 1 28 28 TYR HA H 63 4.007 4.007 4.096 -0.089 18179 6973 1 12 . 1 1 28 28 TYR C C 63 179.075 179.075 177.996 1.079 18179 6974 1 12 . 1 1 28 28 TYR CA C 63 61.769 61.769 61.995 -0.226 18179 6975 1 12 . 1 1 28 28 TYR CB C 63 38.071 38.071 38.180 -0.109 18179 6976 1 12 . 1 1 28 28 TYR H H 63 7.279 7.279 8.071 -0.792 18179 6977 1 12 . 1 1 29 29 LYS N N 64 121.077 121.077 120.524 0.553 18179 6978 1 12 . 1 1 29 29 LYS HA H 64 3.663 3.663 4.269 -0.607 18179 6979 1 12 . 1 1 29 29 LYS C C 64 176.394 176.394 178.630 -2.236 18179 6980 1 12 . 1 1 29 29 LYS CA C 64 59.230 59.230 57.525 1.706 18179 6981 1 12 . 1 1 29 29 LYS CB C 64 32.573 32.573 32.342 0.231 18179 6982 1 12 . 1 1 29 29 LYS H H 64 8.472 8.472 8.204 0.268 18179 6983 1 12 . 1 1 30 30 SER N N 65 117.933 117.933 114.251 3.682 18179 6984 1 12 . 1 1 30 30 SER HA H 65 4.160 4.160 4.413 -0.253 18179 6985 1 12 . 1 1 30 30 SER C C 65 176.518 176.518 176.053 0.465 18179 6986 1 12 . 1 1 30 30 SER CA C 65 61.706 61.706 61.009 0.697 18179 6987 1 12 . 1 1 30 30 SER CB C 65 64.022 64.022 63.160 0.862 18179 6988 1 12 . 1 1 30 30 SER H H 65 8.500 8.500 8.553 -0.053 18179 6989 1 12 . 1 1 31 31 LYS N N 66 117.248 117.248 122.096 -4.848 18179 6990 1 12 . 1 1 31 31 LYS HA H 66 4.301 4.301 4.240 0.061 18179 6991 1 12 . 1 1 31 31 LYS C C 66 179.721 179.721 178.459 1.262 18179 6992 1 12 . 1 1 31 31 LYS CA C 66 59.165 59.165 58.296 0.869 18179 6993 1 12 . 1 1 31 31 LYS CB C 66 32.372 32.372 32.295 0.077 18179 6994 1 12 . 1 1 31 31 LYS H H 66 8.020 8.020 7.614 0.406 18179 6995 1 12 . 1 1 32 32 THR N N 67 109.772 109.772 110.588 -0.816 18179 6996 1 12 . 1 1 32 32 THR HA H 67 3.883 3.883 4.297 -0.414 18179 6997 1 12 . 1 1 32 32 THR C C 67 176.237 176.237 176.665 -0.428 18179 6998 1 12 . 1 1 32 32 THR CA C 67 64.813 64.813 64.379 0.434 18179 6999 1 12 . 1 1 32 32 THR CB C 67 69.445 69.445 69.508 -0.063 18179 7000 1 12 . 1 1 32 32 THR H H 67 7.844 7.844 7.683 0.161 18179 7001 1 12 . 1 1 33 33 SER N N 68 115.610 115.610 115.635 -0.025 18179 7002 1 12 . 1 1 33 33 SER HA H 68 4.369 4.369 4.433 -0.064 18179 7003 1 12 . 1 1 33 33 SER C C 68 174.628 174.628 174.694 -0.066 18179 7004 1 12 . 1 1 33 33 SER CA C 68 59.242 59.242 58.394 0.848 18179 7005 1 12 . 1 1 33 33 SER CB C 68 65.166 65.166 64.499 0.668 18179 7006 1 12 . 1 1 33 33 SER H H 68 8.047 8.047 7.827 0.220 18179 7007 1 12 . 1 1 34 34 ASN N N 69 110.215 110.215 120.294 -10.079 18179 7008 1 12 . 1 1 34 34 ASN HA H 69 4.181 4.181 4.504 -0.323 18179 7009 1 12 . 1 1 34 34 ASN C C 69 173.253 173.253 173.663 -0.410 18179 7010 1 12 . 1 1 34 34 ASN CA C 69 54.302 54.302 54.309 -0.007 18179 7011 1 12 . 1 1 34 34 ASN CB C 69 38.506 38.506 37.279 1.227 18179 7012 1 12 . 1 1 34 34 ASN H H 69 8.061 8.061 8.061 0.000 18179 7013 1 12 . 1 1 35 35 LYS N N 70 117.312 117.312 122.392 -5.080 18179 7014 1 12 . 1 1 35 35 LYS HA H 70 4.676 4.676 4.786 -0.110 18179 7015 1 12 . 1 1 35 35 LYS CA C 70 53.385 53.385 52.858 0.527 18179 7016 1 12 . 1 1 35 35 LYS CB C 70 34.049 34.049 34.646 -0.597 18179 7017 1 12 . 1 1 35 35 LYS H H 70 7.589 7.589 7.573 0.016 18179 7018 1 12 . 1 1 36 36 PRO HA H 71 4.371 4.371 4.393 -0.022 18179 7019 1 12 . 1 1 36 36 PRO C C 71 172.189 172.189 175.852 -3.663 18179 7020 1 12 . 1 1 36 36 PRO CA C 71 62.356 62.356 62.767 -0.411 18179 7021 1 12 . 1 1 36 36 PRO CB C 71 31.785 31.785 32.169 -0.384 18179 7022 1 12 . 1 1 37 37 LEU N N 72 122.894 122.894 125.492 -2.598 18179 7023 1 12 . 1 1 37 37 LEU HA H 72 5.392 5.392 4.635 0.757 18179 7024 1 12 . 1 1 37 37 LEU C C 72 174.422 174.422 175.806 -1.384 18179 7025 1 12 . 1 1 37 37 LEU CA C 72 52.656 52.656 53.689 -1.033 18179 7026 1 12 . 1 1 37 37 LEU CB C 72 45.220 45.220 42.714 2.506 18179 7027 1 12 . 1 1 37 37 LEU H H 72 8.936 8.936 7.855 1.081 18179 7028 1 12 . 1 1 38 38 MET N N 73 128.922 128.922 124.941 3.981 18179 7029 1 12 . 1 1 38 38 MET C C 73 172.488 172.488 174.963 -2.475 18179 7030 1 12 . 1 1 38 38 MET CA C 73 54.806 54.806 53.885 0.921 18179 7031 1 12 . 1 1 38 38 MET CB C 73 35.127 35.127 32.134 2.993 18179 7032 1 12 . 1 1 38 38 MET H H 73 8.965 8.965 8.641 0.324 18179 7033 1 12 . 1 1 39 39 ILE N N 74 124.016 124.016 128.208 -4.192 18179 7034 1 12 . 1 1 39 39 ILE HA H 74 4.819 4.819 4.502 0.317 18179 7035 1 12 . 1 1 39 39 ILE C C 74 175.018 175.018 173.705 1.313 18179 7036 1 12 . 1 1 39 39 ILE CA C 74 59.688 59.688 59.579 0.109 18179 7037 1 12 . 1 1 39 39 ILE CB C 74 40.407 40.407 40.724 -0.316 18179 7038 1 12 . 1 1 39 39 ILE H H 74 8.727 8.727 8.942 -0.215 18179 7039 1 12 . 1 1 40 40 ILE N N 75 126.837 126.837 130.101 -3.264 18179 7040 1 12 . 1 1 40 40 ILE HA H 75 4.038 4.038 4.982 -0.944 18179 7041 1 12 . 1 1 40 40 ILE C C 75 175.282 175.282 174.300 0.982 18179 7042 1 12 . 1 1 40 40 ILE CA C 75 60.408 60.408 59.767 0.641 18179 7043 1 12 . 1 1 40 40 ILE CB C 75 40.028 40.028 39.385 0.643 18179 7044 1 12 . 1 1 40 40 ILE H H 75 8.587 8.587 8.720 -0.133 18179 7045 1 12 . 1 1 41 41 HIS N N 76 128.633 128.633 126.275 2.358 18179 7046 1 12 . 1 1 41 41 HIS CA C 76 56.453 56.453 54.152 2.301 18179 7047 1 12 . 1 1 41 41 HIS CB C 76 29.368 29.368 33.467 -4.099 18179 7048 1 12 . 1 1 41 41 HIS H H 76 9.145 9.145 9.257 -0.112 18179 7049 1 12 . 1 1 42 42 HIS HA H 77 4.822 4.822 4.857 -0.035 18179 7050 1 12 . 1 1 42 42 HIS C C 77 170.942 170.942 172.697 -1.755 18179 7051 1 12 . 1 1 42 42 HIS CA C 77 54.441 54.441 55.220 -0.779 18179 7052 1 12 . 1 1 42 42 HIS CB C 77 34.768 34.768 31.764 3.004 18179 7053 1 12 . 1 1 43 43 LEU N N 78 114.526 114.526 120.660 -6.134 18179 7054 1 12 . 1 1 43 43 LEU HA H 78 4.540 4.540 4.604 -0.064 18179 7055 1 12 . 1 1 43 43 LEU C C 78 177.855 177.855 176.759 1.096 18179 7056 1 12 . 1 1 43 43 LEU CA C 78 54.020 54.020 53.357 0.663 18179 7057 1 12 . 1 1 43 43 LEU CB C 78 46.643 46.643 45.556 1.087 18179 7058 1 12 . 1 1 43 43 LEU H H 78 7.077 7.077 8.247 -1.170 18179 7059 1 12 . 1 1 44 44 ASP N N 79 123.675 123.675 118.568 5.107 18179 7060 1 12 . 1 1 44 44 ASP HA H 79 4.452 4.452 4.381 0.071 18179 7061 1 12 . 1 1 44 44 ASP C C 79 177.872 177.872 176.932 0.940 18179 7062 1 12 . 1 1 44 44 ASP CA C 79 57.458 57.458 55.569 1.889 18179 7063 1 12 . 1 1 44 44 ASP CB C 79 40.739 40.739 41.560 -0.821 18179 7064 1 12 . 1 1 44 44 ASP H H 79 8.783 8.783 8.494 0.289 18179 7065 1 12 . 1 1 45 45 GLU N N 80 115.578 115.578 118.372 -2.794 18179 7066 1 12 . 1 1 45 45 GLU HA H 80 4.156 4.156 4.238 -0.082 18179 7067 1 12 . 1 1 45 45 GLU C C 80 175.108 175.108 175.434 -0.326 18179 7068 1 12 . 1 1 45 45 GLU CA C 80 56.661 56.661 56.158 0.503 18179 7069 1 12 . 1 1 45 45 GLU CB C 80 28.604 28.604 29.222 -0.618 18179 7070 1 12 . 1 1 45 45 GLU H H 80 9.146 9.146 8.609 0.537 18179 7071 1 12 . 1 1 46 46 CYS N N 81 125.642 125.642 117.645 7.997 18179 7072 1 12 . 1 1 46 46 CYS HA H 81 4.814 4.814 4.700 0.114 18179 7073 1 12 . 1 1 46 46 CYS C C 81 175.453 175.453 172.244 3.209 18179 7074 1 12 . 1 1 46 46 CYS CA C 81 56.298 56.298 55.638 0.660 18179 7075 1 12 . 1 1 46 46 CYS CB C 81 30.378 30.378 30.297 0.081 18179 7076 1 12 . 1 1 46 46 CYS H H 81 7.146 7.146 7.221 -0.075 18179 7077 1 12 . 1 1 47 47 PRO HA H 82 4.311 4.311 4.122 0.189 18179 7078 1 12 . 1 1 47 47 PRO CA C 82 64.536 64.536 63.534 1.002 18179 7079 1 12 . 1 1 47 47 PRO CB C 82 32.069 32.069 31.525 0.544 18179 7080 1 12 . 1 1 48 48 HIS N N 83 124.416 124.416 122.110 2.306 18179 7081 1 12 . 1 1 48 48 HIS HA H 83 4.511 4.511 4.352 0.159 18179 7082 1 12 . 1 1 48 48 HIS C C 83 178.820 178.820 177.067 1.753 18179 7083 1 12 . 1 1 48 48 HIS CA C 83 59.042 59.042 57.422 1.620 18179 7084 1 12 . 1 1 48 48 HIS CB C 83 28.921 28.921 29.763 -0.842 18179 7085 1 12 . 1 1 48 48 HIS H H 83 8.936 8.936 8.271 0.665 18179 7086 1 12 . 1 1 49 49 SER N N 84 129.973 129.973 119.052 10.921 18179 7087 1 12 . 1 1 49 49 SER HA H 84 4.152 4.152 3.939 0.213 18179 7088 1 12 . 1 1 49 49 SER C C 84 175.397 175.397 175.594 -0.197 18179 7089 1 12 . 1 1 49 49 SER CA C 84 63.873 63.873 60.709 3.164 18179 7090 1 12 . 1 1 49 49 SER CB C 84 65.516 65.516 62.229 3.287 18179 7091 1 12 . 1 1 49 49 SER H H 84 11.408 11.408 8.970 2.438 18179 7092 1 12 . 1 1 50 50 GLN N N 85 118.214 118.214 119.353 -1.139 18179 7093 1 12 . 1 1 50 50 GLN HA H 85 3.701 3.701 4.088 -0.387 18179 7094 1 12 . 1 1 50 50 GLN C C 85 178.213 178.213 177.682 0.531 18179 7095 1 12 . 1 1 50 50 GLN CA C 85 58.201 58.201 58.357 -0.156 18179 7096 1 12 . 1 1 50 50 GLN CB C 85 27.294 27.294 27.916 -0.622 18179 7097 1 12 . 1 1 50 50 GLN H H 85 8.192 8.192 8.064 0.128 18179 7098 1 12 . 1 1 51 51 ALA N N 86 121.790 121.790 123.009 -1.219 18179 7099 1 12 . 1 1 51 51 ALA HA H 86 4.099 4.099 4.131 -0.032 18179 7100 1 12 . 1 1 51 51 ALA C C 86 180.512 180.512 179.527 0.985 18179 7101 1 12 . 1 1 51 51 ALA CA C 86 54.742 54.742 54.759 -0.017 18179 7102 1 12 . 1 1 51 51 ALA CB C 86 18.559 18.559 18.346 0.213 18179 7103 1 12 . 1 1 51 51 ALA H H 86 7.748 7.748 8.084 -0.336 18179 7104 1 12 . 1 1 52 52 LEU N N 87 118.528 118.528 118.018 0.510 18179 7105 1 12 . 1 1 52 52 LEU HA H 87 4.076 4.076 4.282 -0.205 18179 7106 1 12 . 1 1 52 52 LEU CA C 87 57.266 57.266 56.217 1.049 18179 7107 1 12 . 1 1 52 52 LEU CB C 87 41.947 41.947 41.978 -0.031 18179 7108 1 12 . 1 1 52 52 LEU H H 87 7.918 7.918 7.756 0.162 18179 7109 1 12 . 1 1 53 53 LYS N N 88 120.398 120.398 120.821 -0.423 18179 7110 1 12 . 1 1 53 53 LYS H H 88 7.932 7.932 8.186 -0.254 18179 7111 1 12 . 1 1 54 54 LYS N N 89 115.219 115.219 118.566 -3.347 18179 7112 1 12 . 1 1 54 54 LYS HA H 89 3.790 3.790 4.142 -0.352 18179 7113 1 12 . 1 1 54 54 LYS C C 89 178.614 178.614 178.629 -0.015 18179 7114 1 12 . 1 1 54 54 LYS CA C 89 59.308 59.308 59.236 0.072 18179 7115 1 12 . 1 1 54 54 LYS CB C 89 32.530 32.530 32.165 0.365 18179 7116 1 12 . 1 1 54 54 LYS H H 89 6.889 6.889 7.989 -1.099 18179 7117 1 12 . 1 1 55 55 VAL N N 90 110.991 110.991 114.869 -3.878 18179 7118 1 12 . 1 1 55 55 VAL HA H 90 4.049 4.049 4.084 -0.035 18179 7119 1 12 . 1 1 55 55 VAL C C 90 178.054 178.054 176.931 1.123 18179 7120 1 12 . 1 1 55 55 VAL CA C 90 64.467 64.467 63.505 0.962 18179 7121 1 12 . 1 1 55 55 VAL CB C 90 31.625 31.625 31.536 0.089 18179 7122 1 12 . 1 1 55 55 VAL H H 90 6.748 6.748 7.395 -0.647 18179 7123 1 12 . 1 1 56 56 PHE N N 91 124.010 124.010 123.638 0.372 18179 7124 1 12 . 1 1 56 56 PHE HA H 91 3.829 3.829 4.198 -0.369 18179 7125 1 12 . 1 1 56 56 PHE C C 91 177.496 177.496 177.152 0.344 18179 7126 1 12 . 1 1 56 56 PHE CA C 91 61.854 61.854 61.709 0.145 18179 7127 1 12 . 1 1 56 56 PHE CB C 91 41.828 41.828 39.271 2.557 18179 7128 1 12 . 1 1 56 56 PHE H H 91 8.722 8.722 7.966 0.756 18179 7129 1 12 . 1 1 57 57 ALA N N 92 118.444 118.444 120.263 -1.819 18179 7130 1 12 . 1 1 57 57 ALA HA H 92 4.185 4.185 4.357 -0.172 18179 7131 1 12 . 1 1 57 57 ALA C C 92 180.660 180.660 177.987 2.673 18179 7132 1 12 . 1 1 57 57 ALA CA C 92 54.288 54.288 53.980 0.308 18179 7133 1 12 . 1 1 57 57 ALA CB C 92 18.487 18.487 18.399 0.088 18179 7134 1 12 . 1 1 57 57 ALA H H 92 8.695 8.695 8.426 0.269 18179 7135 1 12 . 1 1 58 58 GLU N N 93 112.263 112.263 116.983 -4.720 18179 7136 1 12 . 1 1 58 58 GLU HA H 93 4.156 4.156 4.177 -0.021 18179 7137 1 12 . 1 1 58 58 GLU C C 93 175.641 175.641 176.128 -0.487 18179 7138 1 12 . 1 1 58 58 GLU CA C 93 55.883 55.883 57.611 -1.728 18179 7139 1 12 . 1 1 58 58 GLU CB C 93 30.495 30.495 30.053 0.442 18179 7140 1 12 . 1 1 58 58 GLU H H 93 7.108 7.108 8.112 -1.004 18179 7141 1 12 . 1 1 59 59 ASN N N 94 120.422 120.422 119.015 1.407 18179 7142 1 12 . 1 1 59 59 ASN HA H 94 4.590 4.590 4.888 -0.298 18179 7143 1 12 . 1 1 59 59 ASN C C 94 174.151 174.151 174.888 -0.737 18179 7144 1 12 . 1 1 59 59 ASN CA C 94 54.056 54.056 52.297 1.759 18179 7145 1 12 . 1 1 59 59 ASN CB C 94 38.723 38.723 39.498 -0.775 18179 7146 1 12 . 1 1 59 59 ASN H H 94 7.269 7.269 7.472 -0.203 18179 7147 1 12 . 1 1 60 60 LYS N N 95 127.497 127.497 125.552 1.945 18179 7148 1 12 . 1 1 60 60 LYS HA H 95 3.770 3.770 4.234 -0.464 18179 7149 1 12 . 1 1 60 60 LYS C C 95 178.959 178.959 177.333 1.626 18179 7150 1 12 . 1 1 60 60 LYS CA C 95 59.337 59.337 58.908 0.429 18179 7151 1 12 . 1 1 60 60 LYS CB C 95 32.170 32.170 32.167 0.003 18179 7152 1 12 . 1 1 60 60 LYS H H 95 8.672 8.672 8.833 -0.161 18179 7153 1 12 . 1 1 61 61 GLU N N 96 119.409 119.409 118.667 0.742 18179 7154 1 12 . 1 1 61 61 GLU HA H 96 3.984 3.984 4.092 -0.108 18179 7155 1 12 . 1 1 61 61 GLU C C 96 179.574 179.574 178.608 0.966 18179 7156 1 12 . 1 1 61 61 GLU CA C 96 59.955 59.955 58.872 1.083 18179 7157 1 12 . 1 1 61 61 GLU CB C 96 29.246 29.246 29.270 -0.024 18179 7158 1 12 . 1 1 61 61 GLU H H 96 7.988 7.988 8.636 -0.648 18179 7159 1 12 . 1 1 62 62 ILE N N 97 122.621 122.621 119.722 2.899 18179 7160 1 12 . 1 1 62 62 ILE HA H 97 3.224 3.224 3.641 -0.417 18179 7161 1 12 . 1 1 62 62 ILE C C 97 177.158 177.158 177.358 -0.200 18179 7162 1 12 . 1 1 62 62 ILE CA C 97 65.787 65.787 64.330 1.457 18179 7163 1 12 . 1 1 62 62 ILE CB C 97 37.710 37.710 37.680 0.030 18179 7164 1 12 . 1 1 62 62 ILE H H 97 8.484 8.484 7.464 1.020 18179 7165 1 12 . 1 1 63 63 GLN N N 98 115.619 115.619 118.978 -3.359 18179 7166 1 12 . 1 1 63 63 GLN HA H 98 3.481 3.481 3.811 -0.330 18179 7167 1 12 . 1 1 63 63 GLN C C 98 178.097 178.097 178.219 -0.122 18179 7168 1 12 . 1 1 63 63 GLN CA C 98 58.601 58.601 59.053 -0.452 18179 7169 1 12 . 1 1 63 63 GLN CB C 98 28.834 28.834 28.412 0.422 18179 7170 1 12 . 1 1 63 63 GLN H H 98 8.046 8.046 7.445 0.601 18179 7171 1 12 . 1 1 64 64 LYS N N 99 116.464 116.464 119.725 -3.261 18179 7172 1 12 . 1 1 64 64 LYS HA H 99 4.125 4.125 4.191 -0.066 18179 7173 1 12 . 1 1 64 64 LYS C C 99 179.740 179.740 178.959 0.781 18179 7174 1 12 . 1 1 64 64 LYS CA C 99 57.955 57.955 59.261 -1.306 18179 7175 1 12 . 1 1 64 64 LYS CB C 99 32.054 32.054 32.354 -0.300 18179 7176 1 12 . 1 1 64 64 LYS H H 99 7.578 7.578 8.063 -0.485 18179 7177 1 12 . 1 1 65 65 LEU N N 100 122.576 122.576 119.284 3.292 18179 7178 1 12 . 1 1 65 65 LEU HA H 100 4.128 4.128 3.978 0.150 18179 7179 1 12 . 1 1 65 65 LEU C C 100 178.481 178.481 178.175 0.306 18179 7180 1 12 . 1 1 65 65 LEU CA C 100 57.044 57.044 57.741 -0.697 18179 7181 1 12 . 1 1 65 65 LEU CB C 100 41.883 41.883 42.002 -0.119 18179 7182 1 12 . 1 1 65 65 LEU H H 100 7.916 7.916 7.369 0.547 18179 7183 1 12 . 1 1 66 66 ALA N N 101 119.534 119.534 120.007 -0.473 18179 7184 1 12 . 1 1 66 66 ALA HA H 101 3.810 3.810 4.305 -0.495 18179 7185 1 12 . 1 1 66 66 ALA C C 101 177.520 177.520 179.300 -1.780 18179 7186 1 12 . 1 1 66 66 ALA CA C 101 54.772 54.772 54.346 0.426 18179 7187 1 12 . 1 1 66 66 ALA CB C 101 17.737 17.737 18.766 -1.029 18179 7188 1 12 . 1 1 66 66 ALA H H 101 8.511 8.511 7.555 0.956 18179 7189 1 12 . 1 1 67 67 GLU N N 102 113.081 113.081 116.785 -3.704 18179 7190 1 12 . 1 1 67 67 GLU HA H 102 4.113 4.113 4.067 0.046 18179 7191 1 12 . 1 1 67 67 GLU C C 102 178.295 178.295 177.752 0.543 18179 7192 1 12 . 1 1 67 67 GLU CA C 102 58.285 58.285 58.694 -0.409 18179 7193 1 12 . 1 1 67 67 GLU CB C 102 29.952 29.952 29.751 0.201 18179 7194 1 12 . 1 1 67 67 GLU H H 102 7.039 7.039 7.864 -0.825 18179 7195 1 12 . 1 1 68 68 GLN N N 103 116.244 116.244 116.491 -0.247 18179 7196 1 12 . 1 1 68 68 GLN HA H 103 4.107 4.107 3.968 0.139 18179 7197 1 12 . 1 1 68 68 GLN C C 103 173.173 173.173 175.952 -2.779 18179 7198 1 12 . 1 1 68 68 GLN CA C 103 56.094 56.094 57.617 -1.524 18179 7199 1 12 . 1 1 68 68 GLN CB C 103 28.703 28.703 28.991 -0.288 18179 7200 1 12 . 1 1 68 68 GLN H H 103 8.167 8.167 7.288 0.879 18179 7201 1 12 . 1 1 69 69 PHE N N 104 116.822 116.822 115.355 1.467 18179 7202 1 12 . 1 1 69 69 PHE HA H 104 4.645 4.645 4.709 -0.064 18179 7203 1 12 . 1 1 69 69 PHE C C 104 177.346 177.346 175.639 1.707 18179 7204 1 12 . 1 1 69 69 PHE CA C 104 57.254 57.254 56.363 0.891 18179 7205 1 12 . 1 1 69 69 PHE CB C 104 40.897 40.897 40.779 0.118 18179 7206 1 12 . 1 1 69 69 PHE H H 104 7.633 7.633 6.968 0.665 18179 7207 1 12 . 1 1 70 70 VAL N N 105 120.799 120.799 120.231 0.568 18179 7208 1 12 . 1 1 70 70 VAL HA H 105 3.867 3.867 4.128 -0.261 18179 7209 1 12 . 1 1 70 70 VAL C C 105 174.191 174.191 174.692 -0.501 18179 7210 1 12 . 1 1 70 70 VAL CA C 105 63.450 63.450 62.508 0.942 18179 7211 1 12 . 1 1 70 70 VAL CB C 105 31.566 31.566 32.529 -0.963 18179 7212 1 12 . 1 1 70 70 VAL H H 105 8.943 8.943 8.737 0.206 18179 7213 1 12 . 1 1 71 71 LEU N N 106 129.105 129.105 127.282 1.823 18179 7214 1 12 . 1 1 71 71 LEU HA H 106 4.850 4.850 4.617 0.233 18179 7215 1 12 . 1 1 71 71 LEU CA C 106 53.854 53.854 54.323 -0.469 18179 7216 1 12 . 1 1 71 71 LEU CB C 106 44.478 44.478 45.365 -0.887 18179 7217 1 12 . 1 1 71 71 LEU H H 106 8.432 8.432 8.545 -0.113 18179 7218 1 12 . 1 1 72 72 LEU N N 107 123.682 123.682 126.535 -2.853 18179 7219 1 12 . 1 1 72 72 LEU H H 107 8.298 8.298 8.077 0.221 18179 7220 1 12 . 1 1 73 73 ASN N N 108 125.520 125.520 117.935 7.585 18179 7221 1 12 . 1 1 73 73 ASN CA C 108 51.631 51.631 52.474 -0.843 18179 7222 1 12 . 1 1 73 73 ASN CB C 108 41.484 41.484 38.548 2.936 18179 7223 1 12 . 1 1 73 73 ASN H H 108 9.761 9.761 8.310 1.451 18179 7224 1 12 . 1 1 74 74 LEU N N 109 122.070 122.070 120.358 1.712 18179 7225 1 12 . 1 1 74 74 LEU H H 109 8.563 8.563 7.568 0.995 18179 7226 1 12 . 1 1 75 75 VAL HA H 110 5.100 5.100 3.886 1.214 18179 7227 1 12 . 1 1 75 75 VAL CA C 110 59.157 59.157 63.616 -4.459 18179 7228 1 12 . 1 1 76 76 TYR N N 111 120.641 120.641 129.213 -8.572 18179 7229 1 12 . 1 1 76 76 TYR HA H 111 4.569 4.569 4.400 0.169 18179 7230 1 12 . 1 1 76 76 TYR C C 111 175.393 175.393 174.340 1.053 18179 7231 1 12 . 1 1 76 76 TYR CA C 111 57.736 57.736 57.800 -0.064 18179 7232 1 12 . 1 1 76 76 TYR CB C 111 39.426 39.426 39.138 0.288 18179 7233 1 12 . 1 1 76 76 TYR H H 111 8.255 8.255 8.195 0.060 18179 7234 1 12 . 1 1 79 79 THR HA H 114 4.180 4.180 4.151 0.029 18179 7235 1 12 . 1 1 79 79 THR CA C 114 61.295 61.295 63.335 -2.040 18179 7236 1 12 . 1 1 79 79 THR CB C 114 68.683 68.683 69.433 -0.750 18179 7237 1 12 . 1 1 80 80 ASP N N 115 121.026 121.026 123.032 -2.006 18179 7238 1 12 . 1 1 80 80 ASP C C 115 177.959 177.959 175.285 2.674 18179 7239 1 12 . 1 1 80 80 ASP CA C 115 53.276 53.276 54.315 -1.039 18179 7240 1 12 . 1 1 80 80 ASP H H 115 7.746 7.746 8.114 -0.368 18179 7241 1 12 . 1 1 81 81 LYS N N 116 129.056 129.056 121.431 7.625 18179 7242 1 12 . 1 1 81 81 LYS HA H 116 3.828 3.828 4.029 -0.201 18179 7243 1 12 . 1 1 81 81 LYS C C 116 179.118 179.118 176.319 2.799 18179 7244 1 12 . 1 1 81 81 LYS CA C 116 57.957 57.957 57.551 0.406 18179 7245 1 12 . 1 1 81 81 LYS CB C 116 31.273 31.273 32.683 -1.410 18179 7246 1 12 . 1 1 81 81 LYS H H 116 8.873 8.873 7.587 1.286 18179 7247 1 12 . 1 1 82 82 HIS N N 117 116.887 116.887 116.019 0.868 18179 7248 1 12 . 1 1 82 82 HIS HA H 117 4.290 4.290 4.489 -0.199 18179 7249 1 12 . 1 1 82 82 HIS C C 117 175.622 175.622 176.913 -1.291 18179 7250 1 12 . 1 1 82 82 HIS CA C 117 57.865 57.865 58.082 -0.217 18179 7251 1 12 . 1 1 82 82 HIS CB C 117 27.704 27.704 30.001 -2.297 18179 7252 1 12 . 1 1 82 82 HIS H H 117 8.707 8.707 8.373 0.334 18179 7253 1 12 . 1 1 83 83 LEU N N 118 113.733 113.733 119.663 -5.930 18179 7254 1 12 . 1 1 83 83 LEU HA H 118 4.290 4.290 4.303 -0.013 18179 7255 1 12 . 1 1 83 83 LEU C C 118 175.949 175.949 177.031 -1.082 18179 7256 1 12 . 1 1 83 83 LEU CA C 118 53.982 53.982 56.600 -2.618 18179 7257 1 12 . 1 1 83 83 LEU CB C 118 41.734 41.734 42.681 -0.947 18179 7258 1 12 . 1 1 83 83 LEU H H 118 7.332 7.332 7.879 -0.547 18179 7259 1 12 . 1 1 84 84 SER N N 119 111.979 111.979 110.485 1.494 18179 7260 1 12 . 1 1 84 84 SER HA H 119 4.632 4.632 4.808 -0.176 18179 7261 1 12 . 1 1 84 84 SER C C 119 173.830 173.830 172.472 1.358 18179 7262 1 12 . 1 1 84 84 SER CA C 119 55.581 55.581 56.038 -0.457 18179 7263 1 12 . 1 1 84 84 SER CB C 119 62.367 62.367 64.749 -2.382 18179 7264 1 12 . 1 1 84 84 SER H H 119 7.268 7.268 7.610 -0.342 18179 7265 1 12 . 1 1 85 85 PRO HA H 120 4.384 4.384 4.370 0.014 18179 7266 1 12 . 1 1 85 85 PRO C C 120 177.881 177.881 177.579 0.302 18179 7267 1 12 . 1 1 85 85 PRO CA C 120 65.292 65.292 64.648 0.644 18179 7268 1 12 . 1 1 85 85 PRO CB C 120 31.942 31.942 32.259 -0.317 18179 7269 1 12 . 1 1 86 86 ASP N N 121 117.614 117.614 117.244 0.370 18179 7270 1 12 . 1 1 86 86 ASP HA H 121 4.960 4.960 4.550 0.410 18179 7271 1 12 . 1 1 86 86 ASP C C 121 174.734 174.734 176.691 -1.957 18179 7272 1 12 . 1 1 86 86 ASP CA C 121 51.999 51.999 54.727 -2.728 18179 7273 1 12 . 1 1 86 86 ASP CB C 121 40.327 40.327 40.682 -0.355 18179 7274 1 12 . 1 1 86 86 ASP H H 121 8.882 8.882 8.056 0.826 18179 7275 1 12 . 1 1 87 87 GLY N N 122 106.815 106.815 107.923 -1.108 18179 7276 1 12 . 1 1 87 87 GLY C C 122 173.401 173.401 174.915 -1.514 18179 7277 1 12 . 1 1 87 87 GLY CA C 122 43.814 43.814 45.732 -1.918 18179 7278 1 12 . 1 1 87 87 GLY H H 122 6.973 6.973 8.185 -1.212 18179 7279 1 12 . 1 1 88 88 GLN N N 123 118.319 118.319 116.026 2.293 18179 7280 1 12 . 1 1 88 88 GLN HA H 123 3.984 3.984 4.405 -0.421 18179 7281 1 12 . 1 1 88 88 GLN C C 123 174.141 174.141 175.056 -0.915 18179 7282 1 12 . 1 1 88 88 GLN CA C 123 54.717 54.717 55.312 -0.595 18179 7283 1 12 . 1 1 88 88 GLN CB C 123 27.267 27.267 28.782 -1.515 18179 7284 1 12 . 1 1 88 88 GLN H H 123 8.224 8.224 8.487 -0.263 18179 7285 1 12 . 1 1 89 89 TYR N N 124 117.220 117.220 117.381 -0.161 18179 7286 1 12 . 1 1 89 89 TYR HA H 124 4.596 4.596 4.708 -0.112 18179 7287 1 12 . 1 1 89 89 TYR C C 124 173.402 173.402 174.067 -0.665 18179 7288 1 12 . 1 1 89 89 TYR CA C 124 54.672 54.672 56.507 -1.835 18179 7289 1 12 . 1 1 89 89 TYR CB C 124 38.970 38.970 38.820 0.150 18179 7290 1 12 . 1 1 89 89 TYR H H 124 5.954 5.954 7.807 -1.853 18179 7291 1 12 . 1 1 90 90 VAL N N 125 109.249 109.249 124.149 -14.900 18179 7292 1 12 . 1 1 90 90 VAL HA H 125 4.572 4.572 4.521 0.051 18179 7293 1 12 . 1 1 90 90 VAL C C 125 173.254 173.254 174.530 -1.276 18179 7294 1 12 . 1 1 90 90 VAL CA C 125 57.982 57.982 58.383 -0.402 18179 7295 1 12 . 1 1 90 90 VAL CB C 125 35.376 35.376 33.982 1.394 18179 7296 1 12 . 1 1 90 90 VAL H H 125 8.303 8.303 8.552 -0.249 18179 7297 1 12 . 1 1 92 92 ARG HA H 127 5.178 5.178 4.124 1.054 18179 7298 1 12 . 1 1 92 92 ARG CA C 127 55.689 55.689 59.690 -4.001 18179 7299 1 12 . 1 1 93 93 ILE N N 128 127.696 127.696 116.612 11.084 18179 7300 1 12 . 1 1 93 93 ILE HA H 128 5.088 5.088 5.123 -0.035 18179 7301 1 12 . 1 1 93 93 ILE CA C 128 61.063 61.063 60.316 0.747 18179 7302 1 12 . 1 1 93 93 ILE CB C 128 39.101 39.101 40.004 -0.903 18179 7303 1 12 . 1 1 93 93 ILE H H 128 9.099 9.099 8.043 1.056 18179 7304 1 12 . 1 1 94 94 MET N N 129 122.683 122.683 123.683 -1.000 18179 7305 1 12 . 1 1 94 94 MET C C 129 174.006 174.006 173.619 0.387 18179 7306 1 12 . 1 1 94 94 MET CA C 129 51.503 51.503 54.032 -2.529 18179 7307 1 12 . 1 1 94 94 MET CB C 129 34.764 34.764 38.160 -3.396 18179 7308 1 12 . 1 1 94 94 MET H H 129 8.496 8.496 9.087 -0.591 18179 7309 1 12 . 1 1 95 95 PHE N N 130 118.014 118.014 122.233 -4.219 18179 7310 1 12 . 1 1 95 95 PHE HA H 130 5.589 5.589 5.583 0.006 18179 7311 1 12 . 1 1 95 95 PHE C C 130 174.811 174.811 173.295 1.516 18179 7312 1 12 . 1 1 95 95 PHE CA C 130 56.432 56.432 56.393 0.039 18179 7313 1 12 . 1 1 95 95 PHE CB C 130 41.941 41.941 42.413 -0.472 18179 7314 1 12 . 1 1 95 95 PHE H H 130 8.573 8.573 8.290 0.283 18179 7315 1 12 . 1 1 96 96 VAL N N 131 122.847 122.847 125.218 -2.371 18179 7316 1 12 . 1 1 96 96 VAL HA H 131 4.337 4.337 4.227 0.110 18179 7317 1 12 . 1 1 96 96 VAL C C 131 174.303 174.303 172.721 1.582 18179 7318 1 12 . 1 1 96 96 VAL CA C 131 61.405 61.405 60.338 1.067 18179 7319 1 12 . 1 1 96 96 VAL CB C 131 34.679 34.679 36.274 -1.595 18179 7320 1 12 . 1 1 96 96 VAL H H 131 9.855 9.855 8.063 1.792 18179 7321 1 12 . 1 1 97 97 ASP N N 132 128.042 128.042 121.472 6.570 18179 7322 1 12 . 1 1 97 97 ASP HA H 132 4.883 4.883 4.792 0.091 18179 7323 1 12 . 1 1 97 97 ASP C C 132 174.958 174.958 174.026 0.932 18179 7324 1 12 . 1 1 97 97 ASP CA C 132 53.082 53.082 53.089 -0.007 18179 7325 1 12 . 1 1 97 97 ASP CB C 132 45.484 45.484 43.275 2.209 18179 7326 1 12 . 1 1 97 97 ASP H H 132 8.399 8.399 8.112 0.287 18179 7327 1 12 . 1 1 98 98 PRO HA H 133 4.566 4.566 4.491 0.075 18179 7328 1 12 . 1 1 98 98 PRO C C 133 175.650 175.650 176.734 -1.084 18179 7329 1 12 . 1 1 98 98 PRO CA C 133 65.207 65.207 65.124 0.084 18179 7330 1 12 . 1 1 98 98 PRO CB C 133 31.858 31.858 32.210 -0.352 18179 7331 1 12 . 1 1 99 99 SER N N 134 111.171 111.171 114.134 -2.963 18179 7332 1 12 . 1 1 99 99 SER HA H 134 4.122 4.122 4.339 -0.217 18179 7333 1 12 . 1 1 99 99 SER C C 134 175.303 175.303 175.925 -0.622 18179 7334 1 12 . 1 1 99 99 SER CA C 134 60.237 60.237 61.193 -0.956 18179 7335 1 12 . 1 1 99 99 SER CB C 134 64.471 64.471 63.733 0.739 18179 7336 1 12 . 1 1 99 99 SER H H 134 8.154 8.154 8.157 -0.003 18179 7337 1 12 . 1 1 100 100 LEU N N 135 118.112 118.112 117.952 0.160 18179 7338 1 12 . 1 1 100 100 LEU HA H 135 3.683 3.683 4.175 -0.492 18179 7339 1 12 . 1 1 100 100 LEU C C 135 175.886 175.886 176.219 -0.333 18179 7340 1 12 . 1 1 100 100 LEU CA C 135 56.548 56.548 56.593 -0.045 18179 7341 1 12 . 1 1 100 100 LEU CB C 135 36.922 36.922 42.585 -5.663 18179 7342 1 12 . 1 1 100 100 LEU H H 135 9.194 9.194 9.028 0.166 18179 7343 1 12 . 1 1 101 101 THR N N 136 116.048 116.048 105.293 10.755 18179 7344 1 12 . 1 1 101 101 THR HA H 136 4.191 4.191 4.144 0.047 18179 7345 1 12 . 1 1 101 101 THR C C 136 173.771 173.771 173.642 0.129 18179 7346 1 12 . 1 1 101 101 THR CA C 136 62.123 62.123 61.604 0.519 18179 7347 1 12 . 1 1 101 101 THR CB C 136 70.407 70.407 68.986 1.421 18179 7348 1 12 . 1 1 101 101 THR H H 136 7.022 7.022 7.069 -0.047 18179 7349 1 12 . 1 1 102 102 VAL N N 137 129.098 129.098 121.907 7.191 18179 7350 1 12 . 1 1 102 102 VAL HA H 137 3.874 3.874 4.249 -0.375 18179 7351 1 12 . 1 1 102 102 VAL C C 137 177.079 177.079 176.011 1.068 18179 7352 1 12 . 1 1 102 102 VAL CA C 137 64.163 64.163 62.542 1.621 18179 7353 1 12 . 1 1 102 102 VAL CB C 137 31.858 31.858 31.756 0.102 18179 7354 1 12 . 1 1 102 102 VAL H H 137 9.039 9.039 8.397 0.642 18179 7355 1 12 . 1 1 103 103 ARG N N 138 128.421 128.421 128.872 -0.451 18179 7356 1 12 . 1 1 103 103 ARG HA H 138 4.724 4.724 4.642 0.082 18179 7357 1 12 . 1 1 103 103 ARG C C 138 177.315 177.315 175.090 2.225 18179 7358 1 12 . 1 1 103 103 ARG CA C 138 50.845 50.845 54.423 -3.578 18179 7359 1 12 . 1 1 103 103 ARG CB C 138 25.210 25.210 30.095 -4.885 18179 7360 1 12 . 1 1 103 103 ARG H H 138 9.355 9.355 8.834 0.521 18179 7361 1 12 . 1 1 104 104 ALA N N 139 130.638 130.638 125.968 4.670 18179 7362 1 12 . 1 1 104 104 ALA HA H 139 4.128 4.128 4.546 -0.418 18179 7363 1 12 . 1 1 104 104 ALA C C 139 170.819 170.819 176.969 -6.150 18179 7364 1 12 . 1 1 104 104 ALA CA C 139 53.517 53.517 51.818 1.699 18179 7365 1 12 . 1 1 104 104 ALA CB C 139 18.047 18.047 19.364 -1.317 18179 7366 1 12 . 1 1 104 104 ALA H H 139 8.340 8.340 8.873 -0.533 18179 7367 1 12 . 1 1 105 105 ASP N N 140 113.599 113.599 118.929 -5.330 18179 7368 1 12 . 1 1 105 105 ASP HA H 140 4.356 4.356 4.726 -0.370 18179 7369 1 12 . 1 1 105 105 ASP C C 140 175.173 175.173 175.130 0.043 18179 7370 1 12 . 1 1 105 105 ASP CA C 140 54.097 54.097 54.633 -0.536 18179 7371 1 12 . 1 1 105 105 ASP CB C 140 39.219 39.219 40.801 -1.582 18179 7372 1 12 . 1 1 105 105 ASP H H 140 9.653 9.653 8.641 1.012 18179 7373 1 12 . 1 1 106 106 ILE N N 141 122.867 122.867 119.840 3.027 18179 7374 1 12 . 1 1 106 106 ILE HA H 141 4.332 4.332 4.292 0.040 18179 7375 1 12 . 1 1 106 106 ILE C C 141 174.778 174.778 175.236 -0.458 18179 7376 1 12 . 1 1 106 106 ILE CA C 141 62.464 62.464 60.594 1.870 18179 7377 1 12 . 1 1 106 106 ILE CB C 141 36.210 36.210 41.124 -4.914 18179 7378 1 12 . 1 1 106 106 ILE H H 141 7.541 7.541 7.503 0.038 18179 7379 1 12 . 1 1 107 107 THR N N 142 117.525 117.525 117.179 0.346 18179 7380 1 12 . 1 1 107 107 THR HA H 142 4.721 4.721 4.555 0.166 18179 7381 1 12 . 1 1 107 107 THR C C 142 175.898 175.898 174.893 1.005 18179 7382 1 12 . 1 1 107 107 THR CA C 142 59.199 59.199 60.693 -1.494 18179 7383 1 12 . 1 1 107 107 THR CB C 142 71.817 71.817 69.881 1.936 18179 7384 1 12 . 1 1 107 107 THR H H 142 7.816 7.816 8.117 -0.301 18179 7385 1 12 . 1 1 108 108 GLY N N 143 109.853 109.853 107.278 2.575 18179 7386 1 12 . 1 1 108 108 GLY C C 143 174.389 174.389 174.045 0.344 18179 7387 1 12 . 1 1 108 108 GLY CA C 143 44.291 44.291 43.956 0.335 18179 7388 1 12 . 1 1 108 108 GLY H H 143 8.891 8.891 8.215 0.676 18179 7389 1 12 . 1 1 109 109 ARG N N 144 116.076 116.076 117.703 -1.627 18179 7390 1 12 . 1 1 109 109 ARG HA H 144 4.006 4.006 4.350 -0.344 18179 7391 1 12 . 1 1 109 109 ARG C C 144 176.521 176.521 175.397 1.124 18179 7392 1 12 . 1 1 109 109 ARG CA C 144 55.989 55.989 56.250 -0.261 18179 7393 1 12 . 1 1 109 109 ARG CB C 144 30.851 30.851 31.056 -0.205 18179 7394 1 12 . 1 1 109 109 ARG H H 144 8.108 8.108 8.444 -0.336 18179 7395 1 12 . 1 1 110 110 TYR N N 145 123.010 123.010 118.817 4.193 18179 7396 1 12 . 1 1 110 110 TYR HA H 145 4.506 4.506 4.630 -0.124 18179 7397 1 12 . 1 1 110 110 TYR C C 145 178.395 178.395 176.190 2.205 18179 7398 1 12 . 1 1 110 110 TYR CA C 145 57.217 57.217 57.189 0.028 18179 7399 1 12 . 1 1 110 110 TYR CB C 145 37.232 37.232 39.842 -2.610 18179 7400 1 12 . 1 1 110 110 TYR H H 145 8.825 8.825 8.078 0.747 18179 7401 1 12 . 1 1 111 111 SER N N 146 120.152 120.152 117.904 2.248 18179 7402 1 12 . 1 1 111 111 SER HA H 146 3.948 3.948 4.477 -0.529 18179 7403 1 12 . 1 1 111 111 SER C C 146 174.939 174.939 175.112 -0.173 18179 7404 1 12 . 1 1 111 111 SER CA C 146 60.850 60.850 59.273 1.577 18179 7405 1 12 . 1 1 111 111 SER CB C 146 62.776 62.776 63.714 -0.938 18179 7406 1 12 . 1 1 111 111 SER H H 146 8.616 8.616 8.830 -0.214 18179 7407 1 12 . 1 1 112 112 ASN N N 147 116.146 116.146 120.453 -4.307 18179 7408 1 12 . 1 1 112 112 ASN HA H 147 4.558 4.558 4.621 -0.063 18179 7409 1 12 . 1 1 112 112 ASN C C 147 173.693 173.693 175.435 -1.742 18179 7410 1 12 . 1 1 112 112 ASN CA C 147 53.209 53.209 54.195 -0.986 18179 7411 1 12 . 1 1 112 112 ASN CB C 147 37.534 37.534 37.849 -0.315 18179 7412 1 12 . 1 1 112 112 ASN H H 147 8.374 8.374 8.381 -0.007 18179 7413 1 12 . 1 1 113 113 ARG N N 148 121.673 121.673 121.223 0.450 18179 7414 1 12 . 1 1 113 113 ARG HA H 148 4.226 4.226 4.480 -0.254 18179 7415 1 12 . 1 1 113 113 ARG C C 148 176.358 176.358 175.069 1.289 18179 7416 1 12 . 1 1 113 113 ARG CA C 148 55.251 55.251 55.426 -0.175 18179 7417 1 12 . 1 1 113 113 ARG CB C 148 30.973 30.973 29.952 1.021 18179 7418 1 12 . 1 1 113 113 ARG H H 148 6.782 6.782 8.171 -1.389 18179 7419 1 12 . 1 1 114 114 LEU N N 149 125.966 125.966 123.612 2.354 18179 7420 1 12 . 1 1 114 114 LEU HA H 149 3.776 3.776 4.501 -0.725 18179 7421 1 12 . 1 1 114 114 LEU C C 149 175.787 175.787 175.801 -0.014 18179 7422 1 12 . 1 1 114 114 LEU CA C 149 57.640 57.640 55.196 2.444 18179 7423 1 12 . 1 1 114 114 LEU CB C 149 43.153 43.153 43.862 -0.709 18179 7424 1 12 . 1 1 114 114 LEU H H 149 9.976 9.976 8.462 1.514 18179 7425 1 12 . 1 1 115 115 TYR N N 150 115.137 115.137 118.945 -3.808 18179 7426 1 12 . 1 1 115 115 TYR HA H 150 4.947 4.947 4.655 0.292 18179 7427 1 12 . 1 1 115 115 TYR C C 150 174.449 174.449 173.647 0.802 18179 7428 1 12 . 1 1 115 115 TYR CA C 150 55.986 55.986 56.872 -0.886 18179 7429 1 12 . 1 1 115 115 TYR CB C 150 38.660 38.660 38.752 -0.092 18179 7430 1 12 . 1 1 115 115 TYR H H 150 8.272 8.272 8.073 0.199 18179 7431 1 12 . 1 1 116 116 ALA N N 151 121.349 121.349 129.989 -8.640 18179 7432 1 12 . 1 1 116 116 ALA HA H 151 5.086 5.086 4.309 0.777 18179 7433 1 12 . 1 1 116 116 ALA C C 151 177.541 177.541 175.639 1.902 18179 7434 1 12 . 1 1 116 116 ALA CA C 151 51.614 51.614 50.891 0.723 18179 7435 1 12 . 1 1 116 116 ALA CB C 151 21.262 21.262 21.064 0.198 18179 7436 1 12 . 1 1 116 116 ALA H H 151 7.515 7.515 8.356 -0.841 18179 7437 1 12 . 1 1 117 117 TYR N N 152 115.287 115.287 113.679 1.608 18179 7438 1 12 . 1 1 117 117 TYR HA H 152 4.693 4.693 4.796 -0.103 18179 7439 1 12 . 1 1 117 117 TYR C C 152 173.749 173.749 175.434 -1.685 18179 7440 1 12 . 1 1 117 117 TYR CA C 152 58.142 58.142 55.590 2.552 18179 7441 1 12 . 1 1 117 117 TYR CB C 152 42.827 42.827 38.866 3.961 18179 7442 1 12 . 1 1 117 117 TYR H H 152 6.916 6.916 7.890 -0.974 18179 7443 1 12 . 1 1 118 118 GLU N N 153 122.624 122.624 122.551 0.073 18179 7444 1 12 . 1 1 118 118 GLU HA H 153 4.951 4.951 4.683 0.268 18179 7445 1 12 . 1 1 118 118 GLU C C 153 175.895 175.895 175.617 0.278 18179 7446 1 12 . 1 1 118 118 GLU CA C 153 54.029 54.029 54.035 -0.006 18179 7447 1 12 . 1 1 118 118 GLU CB C 153 29.513 29.513 29.991 -0.478 18179 7448 1 12 . 1 1 118 118 GLU H H 153 9.508 9.508 7.554 1.954 18179 7449 1 12 . 1 1 119 119 PRO HA H 154 4.119 4.119 4.287 -0.168 18179 7450 1 12 . 1 1 119 119 PRO C C 154 176.457 176.457 177.329 -0.872 18179 7451 1 12 . 1 1 119 119 PRO CA C 154 66.240 66.240 65.373 0.867 18179 7452 1 12 . 1 1 119 119 PRO CB C 154 31.682 31.682 31.618 0.064 18179 7453 1 12 . 1 1 120 120 ALA N N 155 114.721 114.721 118.332 -3.611 18179 7454 1 12 . 1 1 120 120 ALA HA H 155 4.372 4.372 4.223 0.149 18179 7455 1 12 . 1 1 120 120 ALA C C 155 178.528 178.528 178.743 -0.215 18179 7456 1 12 . 1 1 120 120 ALA CA C 155 53.148 53.148 54.289 -1.141 18179 7457 1 12 . 1 1 120 120 ALA CB C 155 18.782 18.782 18.808 -0.026 18179 7458 1 12 . 1 1 120 120 ALA H H 155 7.697 7.697 8.123 -0.426 18179 7459 1 12 . 1 1 121 121 ASP N N 156 117.502 117.502 117.568 -0.066 18179 7460 1 12 . 1 1 121 121 ASP HA H 156 5.154 5.154 4.601 0.553 18179 7461 1 12 . 1 1 121 121 ASP C C 156 176.756 176.756 176.938 -0.182 18179 7462 1 12 . 1 1 121 121 ASP CA C 156 54.742 54.742 54.833 -0.091 18179 7463 1 12 . 1 1 121 121 ASP CB C 156 42.326 42.326 40.204 2.122 18179 7464 1 12 . 1 1 121 121 ASP H H 156 8.493 8.493 7.858 0.635 18179 7465 1 12 . 1 1 122 122 THR N N 157 111.372 111.372 114.030 -2.658 18179 7466 1 12 . 1 1 122 122 THR HA H 157 3.738 3.738 4.063 -0.325 18179 7467 1 12 . 1 1 122 122 THR C C 157 176.023 176.023 175.544 0.479 18179 7468 1 12 . 1 1 122 122 THR CA C 157 66.673 66.673 65.665 1.008 18179 7469 1 12 . 1 1 122 122 THR CB C 157 67.967 67.967 68.365 -0.398 18179 7470 1 12 . 1 1 122 122 THR H H 157 7.428 7.428 7.543 -0.115 18179 7471 1 12 . 1 1 123 123 ALA N N 158 123.853 123.853 124.847 -0.994 18179 7472 1 12 . 1 1 123 123 ALA HA H 158 4.133 4.133 4.128 0.005 18179 7473 1 12 . 1 1 123 123 ALA C C 158 179.987 179.987 179.175 0.812 18179 7474 1 12 . 1 1 123 123 ALA CA C 158 55.545 55.545 55.046 0.499 18179 7475 1 12 . 1 1 123 123 ALA CB C 158 17.458 17.458 17.920 -0.462 18179 7476 1 12 . 1 1 123 123 ALA H H 158 8.663 8.663 7.949 0.714 18179 7477 1 12 . 1 1 124 124 LEU N N 159 121.199 121.199 119.038 2.161 18179 7478 1 12 . 1 1 124 124 LEU HA H 159 4.229 4.229 4.159 0.070 18179 7479 1 12 . 1 1 124 124 LEU C C 159 178.342 178.342 178.667 -0.325 18179 7480 1 12 . 1 1 124 124 LEU CA C 159 57.329 57.329 57.007 0.322 18179 7481 1 12 . 1 1 124 124 LEU CB C 159 41.956 41.956 42.166 -0.210 18179 7482 1 12 . 1 1 124 124 LEU H H 159 7.444 7.444 7.657 -0.213 18179 7483 1 12 . 1 1 125 125 LEU N N 160 119.836 119.836 120.223 -0.387 18179 7484 1 12 . 1 1 125 125 LEU HA H 160 3.963 3.963 4.062 -0.099 18179 7485 1 12 . 1 1 125 125 LEU C C 160 178.168 178.168 178.976 -0.808 18179 7486 1 12 . 1 1 125 125 LEU CA C 160 58.475 58.475 57.983 0.492 18179 7487 1 12 . 1 1 125 125 LEU CB C 160 40.915 40.915 41.037 -0.122 18179 7488 1 12 . 1 1 125 125 LEU H H 160 8.430 8.430 7.937 0.493 18179 7489 1 12 . 1 1 126 126 LEU N N 161 120.046 120.046 120.150 -0.104 18179 7490 1 12 . 1 1 126 126 LEU HA H 161 4.000 4.000 3.928 0.072 18179 7491 1 12 . 1 1 126 126 LEU C C 161 178.848 178.848 178.714 0.134 18179 7492 1 12 . 1 1 126 126 LEU CA C 161 58.524 58.524 58.172 0.352 18179 7493 1 12 . 1 1 126 126 LEU CB C 161 42.005 42.005 41.530 0.475 18179 7494 1 12 . 1 1 126 126 LEU H H 161 8.127 8.127 8.269 -0.142 18179 7495 1 12 . 1 1 127 127 ASP N N 162 119.057 119.057 117.841 1.216 18179 7496 1 12 . 1 1 127 127 ASP HA H 162 4.267 4.267 4.299 -0.032 18179 7497 1 12 . 1 1 127 127 ASP C C 162 179.299 179.299 178.756 0.543 18179 7498 1 12 . 1 1 127 127 ASP CA C 162 57.699 57.699 57.298 0.401 18179 7499 1 12 . 1 1 127 127 ASP CB C 162 40.564 40.564 40.946 -0.382 18179 7500 1 12 . 1 1 127 127 ASP H H 162 7.872 7.872 8.204 -0.332 18179 7501 1 12 . 1 1 128 128 ASN N N 163 122.268 122.268 117.509 4.759 18179 7502 1 12 . 1 1 128 128 ASN HA H 163 4.423 4.423 4.638 -0.215 18179 7503 1 12 . 1 1 128 128 ASN C C 163 177.256 177.256 177.276 -0.020 18179 7504 1 12 . 1 1 128 128 ASN CA C 163 54.502 54.502 54.922 -0.420 18179 7505 1 12 . 1 1 128 128 ASN CB C 163 36.821 36.821 38.886 -2.065 18179 7506 1 12 . 1 1 128 128 ASN H H 163 8.711 8.711 8.067 0.644 18179 7507 1 12 . 1 1 129 129 MET N N 164 122.448 122.448 119.733 2.715 18179 7508 1 12 . 1 1 129 129 MET HA H 164 3.583 3.583 4.134 -0.551 18179 7509 1 12 . 1 1 129 129 MET C C 164 178.272 178.272 178.188 0.084 18179 7510 1 12 . 1 1 129 129 MET CA C 164 59.617 59.617 58.475 1.142 18179 7511 1 12 . 1 1 129 129 MET CB C 164 34.481 34.481 31.787 2.695 18179 7512 1 12 . 1 1 129 129 MET H H 164 8.704 8.704 8.433 0.271 18179 7513 1 12 . 1 1 130 130 LYS N N 165 117.243 117.243 117.781 -0.538 18179 7514 1 12 . 1 1 130 130 LYS HA H 165 3.869 3.869 4.083 -0.214 18179 7515 1 12 . 1 1 130 130 LYS C C 165 180.050 180.050 179.199 0.851 18179 7516 1 12 . 1 1 130 130 LYS CA C 165 60.517 60.517 58.759 1.758 18179 7517 1 12 . 1 1 130 130 LYS CB C 165 31.836 31.836 31.808 0.028 18179 7518 1 12 . 1 1 130 130 LYS H H 165 7.767 7.767 7.598 0.169 18179 7519 1 12 . 1 1 131 131 LYS N N 166 120.486 120.486 120.576 -0.090 18179 7520 1 12 . 1 1 131 131 LYS HA H 166 3.853 3.853 4.023 -0.170 18179 7521 1 12 . 1 1 131 131 LYS C C 166 179.232 179.232 178.920 0.312 18179 7522 1 12 . 1 1 131 131 LYS CA C 166 60.171 60.171 58.386 1.785 18179 7523 1 12 . 1 1 131 131 LYS CB C 166 32.783 32.783 31.897 0.886 18179 7524 1 12 . 1 1 131 131 LYS H H 166 7.914 7.914 7.474 0.440 18179 7525 1 12 . 1 1 132 132 ALA N N 167 122.426 122.426 120.705 1.721 18179 7526 1 12 . 1 1 132 132 ALA HA H 167 3.625 3.625 4.288 -0.663 18179 7527 1 12 . 1 1 132 132 ALA C C 167 177.616 177.616 177.903 -0.287 18179 7528 1 12 . 1 1 132 132 ALA CA C 167 54.246 54.246 53.564 0.682 18179 7529 1 12 . 1 1 132 132 ALA CB C 167 18.261 18.261 18.574 -0.313 18179 7530 1 12 . 1 1 132 132 ALA H H 167 7.801 7.801 8.061 -0.260 18179 7531 1 12 . 1 1 133 133 LEU N N 168 113.735 113.735 116.643 -2.908 18179 7532 1 12 . 1 1 133 133 LEU HA H 168 3.747 3.747 3.895 -0.148 18179 7533 1 12 . 1 1 133 133 LEU C C 168 177.322 177.322 176.537 0.785 18179 7534 1 12 . 1 1 133 133 LEU CA C 168 55.892 55.892 56.270 -0.378 18179 7535 1 12 . 1 1 133 133 LEU CB C 168 42.159 42.159 41.955 0.204 18179 7536 1 12 . 1 1 133 133 LEU H H 168 7.010 7.010 7.315 -0.305 18179 7537 1 12 . 1 1 134 134 LYS N N 169 123.034 123.034 115.261 7.773 18179 7538 1 12 . 1 1 134 134 LYS HA H 169 4.331 4.331 4.062 0.269 18179 7539 1 12 . 1 1 134 134 LYS C C 169 174.307 174.307 174.629 -0.322 18179 7540 1 12 . 1 1 134 134 LYS CA C 169 55.382 55.382 55.122 0.260 18179 7541 1 12 . 1 1 134 134 LYS CB C 169 29.718 29.718 34.116 -4.398 18179 7542 1 12 . 1 1 134 134 LYS H H 169 7.202 7.202 7.352 -0.150 18179 7543 1 12 . 1 1 135 135 LEU N N 170 120.490 120.490 117.909 2.581 18179 7544 1 12 . 1 1 135 135 LEU HA H 170 3.980 3.980 5.397 -1.417 18179 7545 1 12 . 1 1 135 135 LEU C C 170 178.427 178.427 175.011 3.416 18179 7546 1 12 . 1 1 135 135 LEU CA C 170 54.884 54.884 52.875 2.009 18179 7547 1 12 . 1 1 135 135 LEU CB C 170 40.903 40.903 45.369 -4.466 18179 7548 1 12 . 1 1 135 135 LEU H H 170 7.334 7.334 6.767 0.567 18179 7549 1 12 . 1 1 136 136 LEU N N 171 120.084 120.084 121.327 -1.243 18179 7550 1 12 . 1 1 136 136 LEU HA H 171 4.040 4.040 4.528 -0.488 18179 7551 1 12 . 1 1 136 136 LEU C C 171 178.231 178.231 176.774 1.457 18179 7552 1 12 . 1 1 136 136 LEU CA C 171 55.750 55.750 54.627 1.123 18179 7553 1 12 . 1 1 136 136 LEU CB C 171 41.734 41.734 43.158 -1.424 18179 7554 1 12 . 1 1 136 136 LEU H H 171 8.614 8.614 8.450 0.164 18179 7555 1 12 . 1 1 137 137 LYS N N 172 121.059 121.059 121.456 -0.397 18179 7556 1 12 . 1 1 137 137 LYS HA H 172 4.333 4.333 4.477 -0.144 18179 7557 1 12 . 1 1 137 137 LYS C C 172 174.388 174.388 175.883 -1.495 18179 7558 1 12 . 1 1 137 137 LYS CA C 172 55.903 55.903 54.008 1.895 18179 7559 1 12 . 1 1 137 137 LYS CB C 172 32.681 32.681 31.533 1.148 18179 7560 1 12 . 1 1 137 137 LYS H H 172 8.468 8.468 8.156 0.312 18179 7561 1 12 . 1 1 138 138 THR N N 173 116.267 116.267 121.498 -5.231 18179 7562 1 12 . 1 1 138 138 THR HA H 173 4.261 4.261 4.182 0.079 18179 7563 1 12 . 1 1 138 138 THR C C 173 174.267 174.267 174.166 0.101 18179 7564 1 12 . 1 1 138 138 THR CA C 173 61.867 61.867 63.879 -2.012 18179 7565 1 12 . 1 1 138 138 THR CB C 173 69.848 69.848 68.430 1.418 18179 7566 1 12 . 1 1 138 138 THR H H 173 8.095 8.095 8.696 -0.601 18179 7567 1 12 . 1 1 139 139 GLU N N 174 123.648 123.648 127.282 -3.634 18179 7568 1 12 . 1 1 139 139 GLU HA H 174 4.288 4.288 4.627 -0.339 18179 7569 1 12 . 1 1 139 139 GLU C C 174 175.178 175.178 174.958 0.220 18179 7570 1 12 . 1 1 139 139 GLU CA C 174 56.205 56.205 56.005 0.201 18179 7571 1 12 . 1 1 139 139 GLU CB C 174 30.353 30.353 31.606 -1.253 18179 7572 1 12 . 1 1 139 139 GLU H H 174 8.293 8.293 8.354 -0.061 18179 7573 1 13 . 1 1 17 17 LEU N N 52 120.529 120.529 121.146 -0.617 18179 7574 1 13 . 1 1 17 17 LEU HA H 52 4.317 4.317 4.769 -0.452 18179 7575 1 13 . 1 1 17 17 LEU CA C 52 53.456 53.456 54.227 -0.770 18179 7576 1 13 . 1 1 17 17 LEU CB C 52 42.494 42.494 43.884 -1.390 18179 7577 1 13 . 1 1 17 17 LEU H H 52 7.103 7.103 7.801 -0.698 18179 7578 1 13 . 1 1 18 18 ILE CB C 53 36.458 36.458 40.187 -3.729 18179 7579 1 13 . 1 1 23 23 TYR HA H 58 4.359 4.359 3.963 0.396 18179 7580 1 13 . 1 1 23 23 TYR C C 58 176.387 176.387 177.570 -1.183 18179 7581 1 13 . 1 1 23 23 TYR CA C 58 59.597 59.597 63.144 -3.547 18179 7582 1 13 . 1 1 23 23 TYR CB C 58 38.572 38.572 38.011 0.560 18179 7583 1 13 . 1 1 24 24 GLU N N 59 117.335 117.335 119.509 -2.174 18179 7584 1 13 . 1 1 24 24 GLU CA C 59 60.871 60.871 59.402 1.469 18179 7585 1 13 . 1 1 24 24 GLU CB C 59 28.494 28.494 29.325 -0.831 18179 7586 1 13 . 1 1 24 24 GLU H H 59 9.191 9.191 8.718 0.473 18179 7587 1 13 . 1 1 25 25 ALA N N 60 120.861 120.861 120.793 0.068 18179 7588 1 13 . 1 1 25 25 ALA CA C 60 54.555 54.555 53.845 0.710 18179 7589 1 13 . 1 1 25 25 ALA CB C 60 18.528 18.528 18.200 0.328 18179 7590 1 13 . 1 1 25 25 ALA H H 60 7.688 7.688 7.442 0.246 18179 7591 1 13 . 1 1 26 26 ALA N N 61 123.402 123.402 123.647 -0.245 18179 7592 1 13 . 1 1 26 26 ALA HA H 61 3.900 3.900 3.942 -0.042 18179 7593 1 13 . 1 1 26 26 ALA CA C 61 55.346 55.346 55.038 0.308 18179 7594 1 13 . 1 1 26 26 ALA CB C 61 19.104 19.104 18.269 0.835 18179 7595 1 13 . 1 1 26 26 ALA H H 61 8.225 8.225 7.755 0.470 18179 7596 1 13 . 1 1 27 27 LEU N N 62 118.742 118.742 118.188 0.554 18179 7597 1 13 . 1 1 27 27 LEU HA H 62 3.700 3.700 4.031 -0.331 18179 7598 1 13 . 1 1 27 27 LEU C C 62 171.911 171.911 179.801 -7.890 18179 7599 1 13 . 1 1 27 27 LEU CA C 62 57.654 57.654 57.485 0.169 18179 7600 1 13 . 1 1 27 27 LEU CB C 62 41.905 41.905 41.728 0.177 18179 7601 1 13 . 1 1 27 27 LEU H H 62 8.336 8.336 7.698 0.638 18179 7602 1 13 . 1 1 28 28 TYR N N 63 117.594 117.594 119.071 -1.477 18179 7603 1 13 . 1 1 28 28 TYR HA H 63 4.007 4.007 4.174 -0.167 18179 7604 1 13 . 1 1 28 28 TYR C C 63 179.075 179.075 177.358 1.717 18179 7605 1 13 . 1 1 28 28 TYR CA C 63 61.769 61.769 60.916 0.853 18179 7606 1 13 . 1 1 28 28 TYR CB C 63 38.071 38.071 38.410 -0.339 18179 7607 1 13 . 1 1 28 28 TYR H H 63 7.279 7.279 7.553 -0.274 18179 7608 1 13 . 1 1 29 29 LYS N N 64 121.077 121.077 121.190 -0.113 18179 7609 1 13 . 1 1 29 29 LYS HA H 64 3.663 3.663 3.805 -0.142 18179 7610 1 13 . 1 1 29 29 LYS C C 64 176.394 176.394 178.954 -2.560 18179 7611 1 13 . 1 1 29 29 LYS CA C 64 59.230 59.230 59.753 -0.523 18179 7612 1 13 . 1 1 29 29 LYS CB C 64 32.573 32.573 32.448 0.125 18179 7613 1 13 . 1 1 29 29 LYS H H 64 8.472 8.472 8.393 0.079 18179 7614 1 13 . 1 1 30 30 SER N N 65 117.933 117.933 113.711 4.222 18179 7615 1 13 . 1 1 30 30 SER HA H 65 4.160 4.160 4.235 -0.075 18179 7616 1 13 . 1 1 30 30 SER C C 65 176.518 176.518 176.097 0.421 18179 7617 1 13 . 1 1 30 30 SER CA C 65 61.706 61.706 61.151 0.555 18179 7618 1 13 . 1 1 30 30 SER CB C 65 64.022 64.022 63.139 0.883 18179 7619 1 13 . 1 1 30 30 SER H H 65 8.500 8.500 8.203 0.297 18179 7620 1 13 . 1 1 31 31 LYS N N 66 117.248 117.248 121.641 -4.393 18179 7621 1 13 . 1 1 31 31 LYS HA H 66 4.301 4.301 4.076 0.225 18179 7622 1 13 . 1 1 31 31 LYS C C 66 179.721 179.721 177.851 1.870 18179 7623 1 13 . 1 1 31 31 LYS CA C 66 59.165 59.165 58.694 0.471 18179 7624 1 13 . 1 1 31 31 LYS CB C 66 32.372 32.372 32.358 0.014 18179 7625 1 13 . 1 1 31 31 LYS H H 66 8.020 8.020 7.471 0.549 18179 7626 1 13 . 1 1 32 32 THR N N 67 109.772 109.772 111.090 -1.318 18179 7627 1 13 . 1 1 32 32 THR HA H 67 3.883 3.883 4.176 -0.293 18179 7628 1 13 . 1 1 32 32 THR C C 67 176.237 176.237 176.271 -0.034 18179 7629 1 13 . 1 1 32 32 THR CA C 67 64.813 64.813 64.200 0.613 18179 7630 1 13 . 1 1 32 32 THR CB C 67 69.445 69.445 69.047 0.398 18179 7631 1 13 . 1 1 32 32 THR H H 67 7.844 7.844 7.391 0.453 18179 7632 1 13 . 1 1 33 33 SER N N 68 115.610 115.610 115.585 0.025 18179 7633 1 13 . 1 1 33 33 SER HA H 68 4.369 4.369 4.294 0.075 18179 7634 1 13 . 1 1 33 33 SER C C 68 174.628 174.628 175.143 -0.515 18179 7635 1 13 . 1 1 33 33 SER CA C 68 59.242 59.242 59.261 -0.019 18179 7636 1 13 . 1 1 33 33 SER CB C 68 65.166 65.166 64.241 0.925 18179 7637 1 13 . 1 1 33 33 SER H H 68 8.047 8.047 7.734 0.313 18179 7638 1 13 . 1 1 34 34 ASN N N 69 110.215 110.215 115.370 -5.155 18179 7639 1 13 . 1 1 34 34 ASN HA H 69 4.181 4.181 4.366 -0.185 18179 7640 1 13 . 1 1 34 34 ASN C C 69 173.253 173.253 173.854 -0.601 18179 7641 1 13 . 1 1 34 34 ASN CA C 69 54.302 54.302 54.745 -0.443 18179 7642 1 13 . 1 1 34 34 ASN CB C 69 38.506 38.506 36.968 1.538 18179 7643 1 13 . 1 1 34 34 ASN H H 69 8.061 8.061 8.149 -0.088 18179 7644 1 13 . 1 1 35 35 LYS N N 70 117.312 117.312 119.653 -2.341 18179 7645 1 13 . 1 1 35 35 LYS HA H 70 4.676 4.676 4.629 0.047 18179 7646 1 13 . 1 1 35 35 LYS CA C 70 53.385 53.385 53.416 -0.031 18179 7647 1 13 . 1 1 35 35 LYS CB C 70 34.049 34.049 33.437 0.612 18179 7648 1 13 . 1 1 35 35 LYS H H 70 7.589 7.589 7.332 0.257 18179 7649 1 13 . 1 1 36 36 PRO HA H 71 4.371 4.371 4.240 0.131 18179 7650 1 13 . 1 1 36 36 PRO C C 71 172.189 172.189 175.305 -3.116 18179 7651 1 13 . 1 1 36 36 PRO CA C 71 62.356 62.356 62.858 -0.503 18179 7652 1 13 . 1 1 36 36 PRO CB C 71 31.785 31.785 32.072 -0.287 18179 7653 1 13 . 1 1 37 37 LEU N N 72 122.894 122.894 122.860 0.034 18179 7654 1 13 . 1 1 37 37 LEU HA H 72 5.392 5.392 4.768 0.624 18179 7655 1 13 . 1 1 37 37 LEU C C 72 174.422 174.422 175.171 -0.749 18179 7656 1 13 . 1 1 37 37 LEU CA C 72 52.656 52.656 52.959 -0.303 18179 7657 1 13 . 1 1 37 37 LEU CB C 72 45.220 45.220 44.954 0.266 18179 7658 1 13 . 1 1 37 37 LEU H H 72 8.936 8.936 8.461 0.475 18179 7659 1 13 . 1 1 38 38 MET N N 73 128.922 128.922 125.961 2.961 18179 7660 1 13 . 1 1 38 38 MET C C 73 172.488 172.488 174.962 -2.474 18179 7661 1 13 . 1 1 38 38 MET CA C 73 54.806 54.806 54.419 0.387 18179 7662 1 13 . 1 1 38 38 MET CB C 73 35.127 35.127 35.266 -0.139 18179 7663 1 13 . 1 1 38 38 MET H H 73 8.965 8.965 8.313 0.652 18179 7664 1 13 . 1 1 39 39 ILE N N 74 124.016 124.016 124.456 -0.440 18179 7665 1 13 . 1 1 39 39 ILE HA H 74 4.819 4.819 4.641 0.178 18179 7666 1 13 . 1 1 39 39 ILE C C 74 175.018 175.018 173.891 1.127 18179 7667 1 13 . 1 1 39 39 ILE CA C 74 59.688 59.688 60.635 -0.947 18179 7668 1 13 . 1 1 39 39 ILE CB C 74 40.407 40.407 37.547 2.861 18179 7669 1 13 . 1 1 39 39 ILE H H 74 8.727 8.727 8.444 0.283 18179 7670 1 13 . 1 1 40 40 ILE N N 75 126.837 126.837 127.688 -0.851 18179 7671 1 13 . 1 1 40 40 ILE HA H 75 4.038 4.038 5.168 -1.130 18179 7672 1 13 . 1 1 40 40 ILE C C 75 175.282 175.282 175.379 -0.097 18179 7673 1 13 . 1 1 40 40 ILE CA C 75 60.408 60.408 58.833 1.575 18179 7674 1 13 . 1 1 40 40 ILE CB C 75 40.028 40.028 37.815 2.213 18179 7675 1 13 . 1 1 40 40 ILE H H 75 8.587 8.587 8.191 0.396 18179 7676 1 13 . 1 1 41 41 HIS N N 76 128.633 128.633 126.097 2.536 18179 7677 1 13 . 1 1 41 41 HIS CA C 76 56.453 56.453 54.853 1.599 18179 7678 1 13 . 1 1 41 41 HIS CB C 76 29.368 29.368 34.771 -5.403 18179 7679 1 13 . 1 1 41 41 HIS H H 76 9.145 9.145 8.275 0.870 18179 7680 1 13 . 1 1 42 42 HIS HA H 77 4.822 4.822 4.880 -0.058 18179 7681 1 13 . 1 1 42 42 HIS C C 77 170.942 170.942 172.630 -1.688 18179 7682 1 13 . 1 1 42 42 HIS CA C 77 54.441 54.441 55.518 -1.077 18179 7683 1 13 . 1 1 42 42 HIS CB C 77 34.768 34.768 31.695 3.072 18179 7684 1 13 . 1 1 43 43 LEU N N 78 114.526 114.526 118.751 -4.225 18179 7685 1 13 . 1 1 43 43 LEU HA H 78 4.540 4.540 4.699 -0.159 18179 7686 1 13 . 1 1 43 43 LEU C C 78 177.855 177.855 177.634 0.221 18179 7687 1 13 . 1 1 43 43 LEU CA C 78 54.020 54.020 52.983 1.037 18179 7688 1 13 . 1 1 43 43 LEU CB C 78 46.643 46.643 46.018 0.625 18179 7689 1 13 . 1 1 43 43 LEU H H 78 7.077 7.077 8.558 -1.481 18179 7690 1 13 . 1 1 44 44 ASP N N 79 123.675 123.675 120.083 3.592 18179 7691 1 13 . 1 1 44 44 ASP HA H 79 4.452 4.452 4.485 -0.033 18179 7692 1 13 . 1 1 44 44 ASP C C 79 177.872 177.872 176.424 1.448 18179 7693 1 13 . 1 1 44 44 ASP CA C 79 57.458 57.458 55.510 1.948 18179 7694 1 13 . 1 1 44 44 ASP CB C 79 40.739 40.739 40.959 -0.221 18179 7695 1 13 . 1 1 44 44 ASP H H 79 8.783 8.783 8.948 -0.165 18179 7696 1 13 . 1 1 45 45 GLU N N 80 115.578 115.578 116.071 -0.493 18179 7697 1 13 . 1 1 45 45 GLU HA H 80 4.156 4.156 4.382 -0.226 18179 7698 1 13 . 1 1 45 45 GLU C C 80 175.108 175.108 175.825 -0.717 18179 7699 1 13 . 1 1 45 45 GLU CA C 80 56.661 56.661 55.872 0.789 18179 7700 1 13 . 1 1 45 45 GLU CB C 80 28.604 28.604 28.861 -0.257 18179 7701 1 13 . 1 1 45 45 GLU H H 80 9.146 9.146 8.155 0.991 18179 7702 1 13 . 1 1 46 46 CYS N N 81 125.642 125.642 119.948 5.694 18179 7703 1 13 . 1 1 46 46 CYS HA H 81 4.814 4.814 4.708 0.106 18179 7704 1 13 . 1 1 46 46 CYS C C 81 175.453 175.453 172.563 2.890 18179 7705 1 13 . 1 1 46 46 CYS CA C 81 56.298 56.298 55.188 1.110 18179 7706 1 13 . 1 1 46 46 CYS CB C 81 30.378 30.378 29.205 1.173 18179 7707 1 13 . 1 1 46 46 CYS H H 81 7.146 7.146 7.199 -0.053 18179 7708 1 13 . 1 1 47 47 PRO HA H 82 4.311 4.311 4.094 0.217 18179 7709 1 13 . 1 1 47 47 PRO CA C 82 64.536 64.536 63.295 1.241 18179 7710 1 13 . 1 1 47 47 PRO CB C 82 32.069 32.069 31.594 0.475 18179 7711 1 13 . 1 1 48 48 HIS N N 83 124.416 124.416 121.895 2.521 18179 7712 1 13 . 1 1 48 48 HIS HA H 83 4.511 4.511 4.348 0.163 18179 7713 1 13 . 1 1 48 48 HIS C C 83 178.820 178.820 177.421 1.399 18179 7714 1 13 . 1 1 48 48 HIS CA C 83 59.042 59.042 57.245 1.797 18179 7715 1 13 . 1 1 48 48 HIS CB C 83 28.921 28.921 30.107 -1.186 18179 7716 1 13 . 1 1 48 48 HIS H H 83 8.936 8.936 8.325 0.611 18179 7717 1 13 . 1 1 49 49 SER N N 84 129.973 129.973 119.538 10.435 18179 7718 1 13 . 1 1 49 49 SER HA H 84 4.152 4.152 4.014 0.138 18179 7719 1 13 . 1 1 49 49 SER C C 84 175.397 175.397 175.658 -0.261 18179 7720 1 13 . 1 1 49 49 SER CA C 84 63.873 63.873 62.397 1.476 18179 7721 1 13 . 1 1 49 49 SER CB C 84 65.516 65.516 62.886 2.630 18179 7722 1 13 . 1 1 49 49 SER H H 84 11.408 11.408 9.107 2.301 18179 7723 1 13 . 1 1 50 50 GLN N N 85 118.214 118.214 120.157 -1.943 18179 7724 1 13 . 1 1 50 50 GLN HA H 85 3.701 3.701 4.078 -0.377 18179 7725 1 13 . 1 1 50 50 GLN C C 85 178.213 178.213 177.831 0.382 18179 7726 1 13 . 1 1 50 50 GLN CA C 85 58.201 58.201 58.247 -0.046 18179 7727 1 13 . 1 1 50 50 GLN CB C 85 27.294 27.294 27.965 -0.671 18179 7728 1 13 . 1 1 50 50 GLN H H 85 8.192 8.192 8.118 0.074 18179 7729 1 13 . 1 1 51 51 ALA N N 86 121.790 121.790 122.448 -0.658 18179 7730 1 13 . 1 1 51 51 ALA HA H 86 4.099 4.099 4.222 -0.123 18179 7731 1 13 . 1 1 51 51 ALA C C 86 180.512 180.512 179.286 1.226 18179 7732 1 13 . 1 1 51 51 ALA CA C 86 54.742 54.742 54.595 0.147 18179 7733 1 13 . 1 1 51 51 ALA CB C 86 18.559 18.559 18.566 -0.007 18179 7734 1 13 . 1 1 51 51 ALA H H 86 7.748 7.748 8.220 -0.472 18179 7735 1 13 . 1 1 52 52 LEU N N 87 118.528 118.528 118.748 -0.220 18179 7736 1 13 . 1 1 52 52 LEU HA H 87 4.076 4.076 4.251 -0.175 18179 7737 1 13 . 1 1 52 52 LEU CA C 87 57.266 57.266 56.902 0.364 18179 7738 1 13 . 1 1 52 52 LEU CB C 87 41.947 41.947 42.234 -0.287 18179 7739 1 13 . 1 1 52 52 LEU H H 87 7.918 7.918 7.572 0.346 18179 7740 1 13 . 1 1 53 53 LYS N N 88 120.398 120.398 119.037 1.361 18179 7741 1 13 . 1 1 53 53 LYS H H 88 7.932 7.932 8.723 -0.791 18179 7742 1 13 . 1 1 54 54 LYS N N 89 115.219 115.219 120.087 -4.868 18179 7743 1 13 . 1 1 54 54 LYS HA H 89 3.790 3.790 4.111 -0.321 18179 7744 1 13 . 1 1 54 54 LYS C C 89 178.614 178.614 178.796 -0.182 18179 7745 1 13 . 1 1 54 54 LYS CA C 89 59.308 59.308 59.643 -0.335 18179 7746 1 13 . 1 1 54 54 LYS CB C 89 32.530 32.530 32.472 0.058 18179 7747 1 13 . 1 1 54 54 LYS H H 89 6.889 6.889 7.554 -0.665 18179 7748 1 13 . 1 1 55 55 VAL N N 90 110.991 110.991 116.197 -5.206 18179 7749 1 13 . 1 1 55 55 VAL HA H 90 4.049 4.049 3.925 0.124 18179 7750 1 13 . 1 1 55 55 VAL C C 90 178.054 178.054 177.564 0.490 18179 7751 1 13 . 1 1 55 55 VAL CA C 90 64.467 64.467 64.880 -0.413 18179 7752 1 13 . 1 1 55 55 VAL CB C 90 31.625 31.625 31.211 0.414 18179 7753 1 13 . 1 1 55 55 VAL H H 90 6.748 6.748 7.436 -0.688 18179 7754 1 13 . 1 1 56 56 PHE N N 91 124.010 124.010 122.568 1.442 18179 7755 1 13 . 1 1 56 56 PHE HA H 91 3.829 3.829 4.299 -0.470 18179 7756 1 13 . 1 1 56 56 PHE C C 91 177.496 177.496 175.743 1.753 18179 7757 1 13 . 1 1 56 56 PHE CA C 91 61.854 61.854 61.571 0.283 18179 7758 1 13 . 1 1 56 56 PHE CB C 91 41.828 41.828 39.366 2.462 18179 7759 1 13 . 1 1 56 56 PHE H H 91 8.722 8.722 7.920 0.802 18179 7760 1 13 . 1 1 57 57 ALA N N 92 118.444 118.444 120.360 -1.916 18179 7761 1 13 . 1 1 57 57 ALA HA H 92 4.185 4.185 4.071 0.114 18179 7762 1 13 . 1 1 57 57 ALA C C 92 180.660 180.660 179.669 0.991 18179 7763 1 13 . 1 1 57 57 ALA CA C 92 54.288 54.288 54.839 -0.551 18179 7764 1 13 . 1 1 57 57 ALA CB C 92 18.487 18.487 18.478 0.009 18179 7765 1 13 . 1 1 57 57 ALA H H 92 8.695 8.695 8.011 0.684 18179 7766 1 13 . 1 1 58 58 GLU N N 93 112.263 112.263 117.317 -5.054 18179 7767 1 13 . 1 1 58 58 GLU HA H 93 4.156 4.156 4.127 0.029 18179 7768 1 13 . 1 1 58 58 GLU C C 93 175.641 175.641 177.216 -1.575 18179 7769 1 13 . 1 1 58 58 GLU CA C 93 55.883 55.883 58.337 -2.454 18179 7770 1 13 . 1 1 58 58 GLU CB C 93 30.495 30.495 30.231 0.264 18179 7771 1 13 . 1 1 58 58 GLU H H 93 7.108 7.108 7.930 -0.822 18179 7772 1 13 . 1 1 59 59 ASN N N 94 120.422 120.422 118.056 2.366 18179 7773 1 13 . 1 1 59 59 ASN HA H 94 4.590 4.590 4.788 -0.198 18179 7774 1 13 . 1 1 59 59 ASN C C 94 174.151 174.151 175.205 -1.054 18179 7775 1 13 . 1 1 59 59 ASN CA C 94 54.056 54.056 51.260 2.796 18179 7776 1 13 . 1 1 59 59 ASN CB C 94 38.723 38.723 37.459 1.264 18179 7777 1 13 . 1 1 59 59 ASN H H 94 7.269 7.269 8.197 -0.928 18179 7778 1 13 . 1 1 60 60 LYS N N 95 127.497 127.497 124.169 3.328 18179 7779 1 13 . 1 1 60 60 LYS HA H 95 3.770 3.770 3.861 -0.091 18179 7780 1 13 . 1 1 60 60 LYS C C 95 178.959 178.959 177.327 1.632 18179 7781 1 13 . 1 1 60 60 LYS CA C 95 59.337 59.337 58.637 0.700 18179 7782 1 13 . 1 1 60 60 LYS CB C 95 32.170 32.170 32.008 0.162 18179 7783 1 13 . 1 1 60 60 LYS H H 95 8.672 8.672 8.353 0.319 18179 7784 1 13 . 1 1 61 61 GLU N N 96 119.409 119.409 119.925 -0.516 18179 7785 1 13 . 1 1 61 61 GLU HA H 96 3.984 3.984 4.053 -0.069 18179 7786 1 13 . 1 1 61 61 GLU C C 96 179.574 179.574 178.822 0.752 18179 7787 1 13 . 1 1 61 61 GLU CA C 96 59.955 59.955 58.772 1.183 18179 7788 1 13 . 1 1 61 61 GLU CB C 96 29.246 29.246 29.557 -0.311 18179 7789 1 13 . 1 1 61 61 GLU H H 96 7.988 7.988 7.789 0.199 18179 7790 1 13 . 1 1 62 62 ILE N N 97 122.621 122.621 119.663 2.958 18179 7791 1 13 . 1 1 62 62 ILE HA H 97 3.224 3.224 3.854 -0.630 18179 7792 1 13 . 1 1 62 62 ILE C C 97 177.158 177.158 177.596 -0.438 18179 7793 1 13 . 1 1 62 62 ILE CA C 97 65.787 65.787 64.302 1.485 18179 7794 1 13 . 1 1 62 62 ILE CB C 97 37.710 37.710 38.370 -0.660 18179 7795 1 13 . 1 1 62 62 ILE H H 97 8.484 8.484 7.879 0.605 18179 7796 1 13 . 1 1 63 63 GLN N N 98 115.619 115.619 119.782 -4.163 18179 7797 1 13 . 1 1 63 63 GLN HA H 98 3.481 3.481 2.802 0.679 18179 7798 1 13 . 1 1 63 63 GLN C C 98 178.097 178.097 178.060 0.037 18179 7799 1 13 . 1 1 63 63 GLN CA C 98 58.601 58.601 58.970 -0.369 18179 7800 1 13 . 1 1 63 63 GLN CB C 98 28.834 28.834 28.085 0.749 18179 7801 1 13 . 1 1 63 63 GLN H H 98 8.046 8.046 7.262 0.784 18179 7802 1 13 . 1 1 64 64 LYS N N 99 116.464 116.464 118.328 -1.864 18179 7803 1 13 . 1 1 64 64 LYS HA H 99 4.125 4.125 3.983 0.142 18179 7804 1 13 . 1 1 64 64 LYS C C 99 179.740 179.740 179.110 0.630 18179 7805 1 13 . 1 1 64 64 LYS CA C 99 57.955 57.955 59.018 -1.063 18179 7806 1 13 . 1 1 64 64 LYS CB C 99 32.054 32.054 32.145 -0.091 18179 7807 1 13 . 1 1 64 64 LYS H H 99 7.578 7.578 8.078 -0.500 18179 7808 1 13 . 1 1 65 65 LEU N N 100 122.576 122.576 118.908 3.668 18179 7809 1 13 . 1 1 65 65 LEU HA H 100 4.128 4.128 3.950 0.178 18179 7810 1 13 . 1 1 65 65 LEU C C 100 178.481 178.481 177.363 1.118 18179 7811 1 13 . 1 1 65 65 LEU CA C 100 57.044 57.044 56.945 0.099 18179 7812 1 13 . 1 1 65 65 LEU CB C 100 41.883 41.883 41.700 0.183 18179 7813 1 13 . 1 1 65 65 LEU H H 100 7.916 7.916 7.431 0.485 18179 7814 1 13 . 1 1 66 66 ALA N N 101 119.534 119.534 120.031 -0.497 18179 7815 1 13 . 1 1 66 66 ALA HA H 101 3.810 3.810 4.242 -0.432 18179 7816 1 13 . 1 1 66 66 ALA C C 101 177.520 177.520 178.520 -1.000 18179 7817 1 13 . 1 1 66 66 ALA CA C 101 54.772 54.772 53.422 1.350 18179 7818 1 13 . 1 1 66 66 ALA CB C 101 17.737 17.737 19.281 -1.544 18179 7819 1 13 . 1 1 66 66 ALA H H 101 8.511 8.511 7.242 1.269 18179 7820 1 13 . 1 1 67 67 GLU N N 102 113.081 113.081 117.783 -4.702 18179 7821 1 13 . 1 1 67 67 GLU HA H 102 4.113 4.113 4.150 -0.037 18179 7822 1 13 . 1 1 67 67 GLU C C 102 178.295 178.295 177.717 0.578 18179 7823 1 13 . 1 1 67 67 GLU CA C 102 58.285 58.285 58.585 -0.300 18179 7824 1 13 . 1 1 67 67 GLU CB C 102 29.952 29.952 29.950 0.002 18179 7825 1 13 . 1 1 67 67 GLU H H 102 7.039 7.039 7.952 -0.913 18179 7826 1 13 . 1 1 68 68 GLN N N 103 116.244 116.244 116.368 -0.124 18179 7827 1 13 . 1 1 68 68 GLN HA H 103 4.107 4.107 4.369 -0.262 18179 7828 1 13 . 1 1 68 68 GLN C C 103 173.173 173.173 176.612 -3.439 18179 7829 1 13 . 1 1 68 68 GLN CA C 103 56.094 56.094 56.898 -0.804 18179 7830 1 13 . 1 1 68 68 GLN CB C 103 28.703 28.703 29.337 -0.634 18179 7831 1 13 . 1 1 68 68 GLN H H 103 8.167 8.167 7.579 0.588 18179 7832 1 13 . 1 1 69 69 PHE N N 104 116.822 116.822 117.195 -0.373 18179 7833 1 13 . 1 1 69 69 PHE HA H 104 4.645 4.645 4.618 0.027 18179 7834 1 13 . 1 1 69 69 PHE C C 104 177.346 177.346 176.528 0.818 18179 7835 1 13 . 1 1 69 69 PHE CA C 104 57.254 57.254 57.816 -0.562 18179 7836 1 13 . 1 1 69 69 PHE CB C 104 40.897 40.897 39.956 0.941 18179 7837 1 13 . 1 1 69 69 PHE H H 104 7.633 7.633 7.513 0.120 18179 7838 1 13 . 1 1 70 70 VAL N N 105 120.799 120.799 118.252 2.547 18179 7839 1 13 . 1 1 70 70 VAL HA H 105 3.867 3.867 4.195 -0.328 18179 7840 1 13 . 1 1 70 70 VAL C C 105 174.191 174.191 174.670 -0.479 18179 7841 1 13 . 1 1 70 70 VAL CA C 105 63.450 63.450 61.252 2.198 18179 7842 1 13 . 1 1 70 70 VAL CB C 105 31.566 31.566 32.901 -1.335 18179 7843 1 13 . 1 1 70 70 VAL H H 105 8.943 8.943 8.399 0.544 18179 7844 1 13 . 1 1 71 71 LEU N N 106 129.105 129.105 122.591 6.514 18179 7845 1 13 . 1 1 71 71 LEU HA H 106 4.850 4.850 4.671 0.179 18179 7846 1 13 . 1 1 71 71 LEU CA C 106 53.854 53.854 53.998 -0.144 18179 7847 1 13 . 1 1 71 71 LEU CB C 106 44.478 44.478 45.608 -1.130 18179 7848 1 13 . 1 1 71 71 LEU H H 106 8.432 8.432 8.723 -0.291 18179 7849 1 13 . 1 1 72 72 LEU N N 107 123.682 123.682 123.189 0.493 18179 7850 1 13 . 1 1 72 72 LEU H H 107 8.298 8.298 8.274 0.024 18179 7851 1 13 . 1 1 73 73 ASN N N 108 125.520 125.520 119.993 5.527 18179 7852 1 13 . 1 1 73 73 ASN CA C 108 51.631 51.631 54.262 -2.631 18179 7853 1 13 . 1 1 73 73 ASN CB C 108 41.484 41.484 38.417 3.067 18179 7854 1 13 . 1 1 73 73 ASN H H 108 9.761 9.761 8.062 1.699 18179 7855 1 13 . 1 1 74 74 LEU N N 109 122.070 122.070 125.880 -3.810 18179 7856 1 13 . 1 1 74 74 LEU H H 109 8.563 8.563 7.849 0.714 18179 7857 1 13 . 1 1 75 75 VAL HA H 110 5.100 5.100 3.385 1.715 18179 7858 1 13 . 1 1 75 75 VAL CA C 110 59.157 59.157 62.697 -3.540 18179 7859 1 13 . 1 1 76 76 TYR N N 111 120.641 120.641 117.997 2.644 18179 7860 1 13 . 1 1 76 76 TYR HA H 111 4.569 4.569 4.414 0.155 18179 7861 1 13 . 1 1 76 76 TYR C C 111 175.393 175.393 175.230 0.163 18179 7862 1 13 . 1 1 76 76 TYR CA C 111 57.736 57.736 57.493 0.243 18179 7863 1 13 . 1 1 76 76 TYR CB C 111 39.426 39.426 39.141 0.285 18179 7864 1 13 . 1 1 76 76 TYR H H 111 8.255 8.255 7.574 0.681 18179 7865 1 13 . 1 1 79 79 THR HA H 114 4.180 4.180 4.202 -0.022 18179 7866 1 13 . 1 1 79 79 THR CA C 114 61.295 61.295 62.220 -0.925 18179 7867 1 13 . 1 1 79 79 THR CB C 114 68.683 68.683 69.588 -0.905 18179 7868 1 13 . 1 1 80 80 ASP N N 115 121.026 121.026 124.432 -3.406 18179 7869 1 13 . 1 1 80 80 ASP C C 115 177.959 177.959 176.606 1.353 18179 7870 1 13 . 1 1 80 80 ASP CA C 115 53.276 53.276 53.931 -0.655 18179 7871 1 13 . 1 1 80 80 ASP H H 115 7.746 7.746 8.510 -0.764 18179 7872 1 13 . 1 1 81 81 LYS N N 116 129.056 129.056 123.676 5.380 18179 7873 1 13 . 1 1 81 81 LYS HA H 116 3.828 3.828 4.073 -0.245 18179 7874 1 13 . 1 1 81 81 LYS C C 116 179.118 179.118 177.536 1.582 18179 7875 1 13 . 1 1 81 81 LYS CA C 116 57.957 57.957 57.028 0.929 18179 7876 1 13 . 1 1 81 81 LYS CB C 116 31.273 31.273 31.580 -0.307 18179 7877 1 13 . 1 1 81 81 LYS H H 116 8.873 8.873 8.665 0.208 18179 7878 1 13 . 1 1 82 82 HIS N N 117 116.887 116.887 116.403 0.484 18179 7879 1 13 . 1 1 82 82 HIS HA H 117 4.290 4.290 4.456 -0.166 18179 7880 1 13 . 1 1 82 82 HIS C C 117 175.622 175.622 175.546 0.076 18179 7881 1 13 . 1 1 82 82 HIS CA C 117 57.865 57.865 57.395 0.470 18179 7882 1 13 . 1 1 82 82 HIS CB C 117 27.704 27.704 28.657 -0.953 18179 7883 1 13 . 1 1 82 82 HIS H H 117 8.707 8.707 8.152 0.555 18179 7884 1 13 . 1 1 83 83 LEU N N 118 113.733 113.733 120.400 -6.667 18179 7885 1 13 . 1 1 83 83 LEU HA H 118 4.290 4.290 4.298 -0.008 18179 7886 1 13 . 1 1 83 83 LEU C C 118 175.949 175.949 176.219 -0.270 18179 7887 1 13 . 1 1 83 83 LEU CA C 118 53.982 53.982 55.999 -2.017 18179 7888 1 13 . 1 1 83 83 LEU CB C 118 41.734 41.734 42.956 -1.222 18179 7889 1 13 . 1 1 83 83 LEU H H 118 7.332 7.332 7.280 0.052 18179 7890 1 13 . 1 1 84 84 SER N N 119 111.979 111.979 110.912 1.067 18179 7891 1 13 . 1 1 84 84 SER HA H 119 4.632 4.632 4.957 -0.325 18179 7892 1 13 . 1 1 84 84 SER C C 119 173.830 173.830 172.481 1.349 18179 7893 1 13 . 1 1 84 84 SER CA C 119 55.581 55.581 55.029 0.552 18179 7894 1 13 . 1 1 84 84 SER CB C 119 62.367 62.367 63.840 -1.472 18179 7895 1 13 . 1 1 84 84 SER H H 119 7.268 7.268 7.414 -0.146 18179 7896 1 13 . 1 1 85 85 PRO HA H 120 4.384 4.384 4.310 0.074 18179 7897 1 13 . 1 1 85 85 PRO C C 120 177.881 177.881 177.720 0.161 18179 7898 1 13 . 1 1 85 85 PRO CA C 120 65.292 65.292 64.834 0.458 18179 7899 1 13 . 1 1 85 85 PRO CB C 120 31.942 31.942 32.112 -0.170 18179 7900 1 13 . 1 1 86 86 ASP N N 121 117.614 117.614 119.059 -1.445 18179 7901 1 13 . 1 1 86 86 ASP HA H 121 4.960 4.960 4.509 0.451 18179 7902 1 13 . 1 1 86 86 ASP C C 121 174.734 174.734 176.079 -1.345 18179 7903 1 13 . 1 1 86 86 ASP CA C 121 51.999 51.999 55.323 -3.324 18179 7904 1 13 . 1 1 86 86 ASP CB C 121 40.327 40.327 39.682 0.645 18179 7905 1 13 . 1 1 86 86 ASP H H 121 8.882 8.882 8.322 0.560 18179 7906 1 13 . 1 1 87 87 GLY N N 122 106.815 106.815 106.516 0.299 18179 7907 1 13 . 1 1 87 87 GLY C C 122 173.401 173.401 174.432 -1.031 18179 7908 1 13 . 1 1 87 87 GLY CA C 122 43.814 43.814 43.882 -0.068 18179 7909 1 13 . 1 1 87 87 GLY H H 122 6.973 6.973 8.082 -1.109 18179 7910 1 13 . 1 1 88 88 GLN N N 123 118.319 118.319 119.832 -1.513 18179 7911 1 13 . 1 1 88 88 GLN HA H 123 3.984 3.984 4.152 -0.168 18179 7912 1 13 . 1 1 88 88 GLN C C 123 174.141 174.141 174.978 -0.837 18179 7913 1 13 . 1 1 88 88 GLN CA C 123 54.717 54.717 55.801 -1.084 18179 7914 1 13 . 1 1 88 88 GLN CB C 123 27.267 27.267 28.826 -1.559 18179 7915 1 13 . 1 1 88 88 GLN H H 123 8.224 8.224 7.809 0.415 18179 7916 1 13 . 1 1 89 89 TYR N N 124 117.220 117.220 120.001 -2.781 18179 7917 1 13 . 1 1 89 89 TYR HA H 124 4.596 4.596 4.502 0.094 18179 7918 1 13 . 1 1 89 89 TYR C C 124 173.402 173.402 176.387 -2.985 18179 7919 1 13 . 1 1 89 89 TYR CA C 124 54.672 54.672 58.225 -3.553 18179 7920 1 13 . 1 1 89 89 TYR CB C 124 38.970 38.970 39.270 -0.300 18179 7921 1 13 . 1 1 89 89 TYR H H 124 5.954 5.954 7.691 -1.737 18179 7922 1 13 . 1 1 90 90 VAL N N 125 109.249 109.249 122.130 -12.881 18179 7923 1 13 . 1 1 90 90 VAL HA H 125 4.572 4.572 4.291 0.281 18179 7924 1 13 . 1 1 90 90 VAL C C 125 173.254 173.254 174.264 -1.010 18179 7925 1 13 . 1 1 90 90 VAL CA C 125 57.982 57.982 62.429 -4.447 18179 7926 1 13 . 1 1 90 90 VAL CB C 125 35.376 35.376 30.618 4.758 18179 7927 1 13 . 1 1 90 90 VAL H H 125 8.303 8.303 8.117 0.186 18179 7928 1 13 . 1 1 92 92 ARG HA H 127 5.178 5.178 3.885 1.293 18179 7929 1 13 . 1 1 92 92 ARG CA C 127 55.689 55.689 58.547 -2.858 18179 7930 1 13 . 1 1 93 93 ILE N N 128 127.696 127.696 115.972 11.724 18179 7931 1 13 . 1 1 93 93 ILE HA H 128 5.088 5.088 3.711 1.377 18179 7932 1 13 . 1 1 93 93 ILE CA C 128 61.063 61.063 63.307 -2.244 18179 7933 1 13 . 1 1 93 93 ILE CB C 128 39.101 39.101 37.271 1.830 18179 7934 1 13 . 1 1 93 93 ILE H H 128 9.099 9.099 8.327 0.772 18179 7935 1 13 . 1 1 94 94 MET N N 129 122.683 122.683 117.645 5.038 18179 7936 1 13 . 1 1 94 94 MET C C 129 174.006 174.006 173.628 0.378 18179 7937 1 13 . 1 1 94 94 MET CA C 129 51.503 51.503 54.724 -3.221 18179 7938 1 13 . 1 1 94 94 MET CB C 129 34.764 34.764 37.046 -2.282 18179 7939 1 13 . 1 1 94 94 MET H H 129 8.496 8.496 7.988 0.508 18179 7940 1 13 . 1 1 95 95 PHE N N 130 118.014 118.014 116.127 1.887 18179 7941 1 13 . 1 1 95 95 PHE HA H 130 5.589 5.589 5.051 0.538 18179 7942 1 13 . 1 1 95 95 PHE C C 130 174.811 174.811 173.723 1.088 18179 7943 1 13 . 1 1 95 95 PHE CA C 130 56.432 56.432 56.173 0.259 18179 7944 1 13 . 1 1 95 95 PHE CB C 130 41.941 41.941 41.914 0.027 18179 7945 1 13 . 1 1 95 95 PHE H H 130 8.573 8.573 7.793 0.780 18179 7946 1 13 . 1 1 96 96 VAL N N 131 122.847 122.847 114.963 7.884 18179 7947 1 13 . 1 1 96 96 VAL HA H 131 4.337 4.337 4.620 -0.283 18179 7948 1 13 . 1 1 96 96 VAL C C 131 174.303 174.303 175.133 -0.830 18179 7949 1 13 . 1 1 96 96 VAL CA C 131 61.405 61.405 60.016 1.389 18179 7950 1 13 . 1 1 96 96 VAL CB C 131 34.679 34.679 34.996 -0.317 18179 7951 1 13 . 1 1 96 96 VAL H H 131 9.855 9.855 9.322 0.533 18179 7952 1 13 . 1 1 97 97 ASP N N 132 128.042 128.042 124.429 3.613 18179 7953 1 13 . 1 1 97 97 ASP HA H 132 4.883 4.883 4.885 -0.002 18179 7954 1 13 . 1 1 97 97 ASP C C 132 174.958 174.958 175.714 -0.756 18179 7955 1 13 . 1 1 97 97 ASP CA C 132 53.082 53.082 54.380 -1.298 18179 7956 1 13 . 1 1 97 97 ASP CB C 132 45.484 45.484 40.721 4.763 18179 7957 1 13 . 1 1 97 97 ASP H H 132 8.399 8.399 8.028 0.371 18179 7958 1 13 . 1 1 98 98 PRO HA H 133 4.566 4.566 4.314 0.252 18179 7959 1 13 . 1 1 98 98 PRO C C 133 175.650 175.650 176.991 -1.341 18179 7960 1 13 . 1 1 98 98 PRO CA C 133 65.207 65.207 64.013 1.194 18179 7961 1 13 . 1 1 98 98 PRO CB C 133 31.858 31.858 32.034 -0.176 18179 7962 1 13 . 1 1 99 99 SER N N 134 111.171 111.171 112.995 -1.824 18179 7963 1 13 . 1 1 99 99 SER HA H 134 4.122 4.122 4.349 -0.227 18179 7964 1 13 . 1 1 99 99 SER C C 134 175.303 175.303 174.535 0.768 18179 7965 1 13 . 1 1 99 99 SER CA C 134 60.237 60.237 59.198 1.039 18179 7966 1 13 . 1 1 99 99 SER CB C 134 64.471 64.471 62.855 1.616 18179 7967 1 13 . 1 1 99 99 SER H H 134 8.154 8.154 8.293 -0.139 18179 7968 1 13 . 1 1 100 100 LEU N N 135 118.112 118.112 117.157 0.955 18179 7969 1 13 . 1 1 100 100 LEU HA H 135 3.683 3.683 4.112 -0.429 18179 7970 1 13 . 1 1 100 100 LEU C C 135 175.886 175.886 176.262 -0.376 18179 7971 1 13 . 1 1 100 100 LEU CA C 135 56.548 56.548 55.683 0.865 18179 7972 1 13 . 1 1 100 100 LEU CB C 135 36.922 36.922 38.965 -2.043 18179 7973 1 13 . 1 1 100 100 LEU H H 135 9.194 9.194 7.794 1.400 18179 7974 1 13 . 1 1 101 101 THR N N 136 116.048 116.048 110.192 5.856 18179 7975 1 13 . 1 1 101 101 THR HA H 136 4.191 4.191 4.358 -0.167 18179 7976 1 13 . 1 1 101 101 THR C C 136 173.771 173.771 172.921 0.850 18179 7977 1 13 . 1 1 101 101 THR CA C 136 62.123 62.123 61.171 0.952 18179 7978 1 13 . 1 1 101 101 THR CB C 136 70.407 70.407 70.954 -0.547 18179 7979 1 13 . 1 1 101 101 THR H H 136 7.022 7.022 7.525 -0.503 18179 7980 1 13 . 1 1 102 102 VAL N N 137 129.098 129.098 122.460 6.638 18179 7981 1 13 . 1 1 102 102 VAL HA H 137 3.874 3.874 4.294 -0.420 18179 7982 1 13 . 1 1 102 102 VAL C C 137 177.079 177.079 175.697 1.382 18179 7983 1 13 . 1 1 102 102 VAL CA C 137 64.163 64.163 62.953 1.210 18179 7984 1 13 . 1 1 102 102 VAL CB C 137 31.858 31.858 31.431 0.427 18179 7985 1 13 . 1 1 102 102 VAL H H 137 9.039 9.039 8.533 0.506 18179 7986 1 13 . 1 1 103 103 ARG N N 138 128.421 128.421 129.872 -1.451 18179 7987 1 13 . 1 1 103 103 ARG HA H 138 4.724 4.724 4.560 0.164 18179 7988 1 13 . 1 1 103 103 ARG C C 138 177.315 177.315 173.725 3.590 18179 7989 1 13 . 1 1 103 103 ARG CA C 138 50.845 50.845 54.840 -3.995 18179 7990 1 13 . 1 1 103 103 ARG CB C 138 25.210 25.210 30.613 -5.402 18179 7991 1 13 . 1 1 103 103 ARG H H 138 9.355 9.355 9.643 -0.288 18179 7992 1 13 . 1 1 104 104 ALA N N 139 130.638 130.638 125.712 4.926 18179 7993 1 13 . 1 1 104 104 ALA HA H 139 4.128 4.128 4.434 -0.306 18179 7994 1 13 . 1 1 104 104 ALA C C 139 170.819 170.819 175.523 -4.704 18179 7995 1 13 . 1 1 104 104 ALA CA C 139 53.517 53.517 51.978 1.539 18179 7996 1 13 . 1 1 104 104 ALA CB C 139 18.047 18.047 20.069 -2.022 18179 7997 1 13 . 1 1 104 104 ALA H H 139 8.340 8.340 8.105 0.235 18179 7998 1 13 . 1 1 105 105 ASP N N 140 113.599 113.599 119.493 -5.894 18179 7999 1 13 . 1 1 105 105 ASP HA H 140 4.356 4.356 4.669 -0.313 18179 8000 1 13 . 1 1 105 105 ASP C C 140 175.173 175.173 176.288 -1.115 18179 8001 1 13 . 1 1 105 105 ASP CA C 140 54.097 54.097 54.835 -0.738 18179 8002 1 13 . 1 1 105 105 ASP CB C 140 39.219 39.219 41.762 -2.543 18179 8003 1 13 . 1 1 105 105 ASP H H 140 9.653 9.653 8.711 0.942 18179 8004 1 13 . 1 1 106 106 ILE N N 141 122.867 122.867 119.453 3.414 18179 8005 1 13 . 1 1 106 106 ILE HA H 141 4.332 4.332 3.907 0.425 18179 8006 1 13 . 1 1 106 106 ILE C C 141 174.778 174.778 175.050 -0.272 18179 8007 1 13 . 1 1 106 106 ILE CA C 141 62.464 62.464 60.922 1.542 18179 8008 1 13 . 1 1 106 106 ILE CB C 141 36.210 36.210 36.148 0.062 18179 8009 1 13 . 1 1 106 106 ILE H H 141 7.541 7.541 8.206 -0.665 18179 8010 1 13 . 1 1 107 107 THR N N 142 117.525 117.525 113.681 3.844 18179 8011 1 13 . 1 1 107 107 THR HA H 142 4.721 4.721 4.387 0.334 18179 8012 1 13 . 1 1 107 107 THR C C 142 175.898 175.898 173.893 2.005 18179 8013 1 13 . 1 1 107 107 THR CA C 142 59.199 59.199 61.763 -2.564 18179 8014 1 13 . 1 1 107 107 THR CB C 142 71.817 71.817 70.047 1.770 18179 8015 1 13 . 1 1 107 107 THR H H 142 7.816 7.816 7.912 -0.096 18179 8016 1 13 . 1 1 108 108 GLY N N 143 109.853 109.853 108.110 1.743 18179 8017 1 13 . 1 1 108 108 GLY C C 143 174.389 174.389 174.356 0.033 18179 8018 1 13 . 1 1 108 108 GLY CA C 143 44.291 44.291 44.817 -0.526 18179 8019 1 13 . 1 1 108 108 GLY H H 143 8.891 8.891 8.417 0.474 18179 8020 1 13 . 1 1 109 109 ARG N N 144 116.076 116.076 122.833 -6.757 18179 8021 1 13 . 1 1 109 109 ARG HA H 144 4.006 4.006 3.914 0.092 18179 8022 1 13 . 1 1 109 109 ARG C C 144 176.521 176.521 175.170 1.351 18179 8023 1 13 . 1 1 109 109 ARG CA C 144 55.989 55.989 58.198 -2.209 18179 8024 1 13 . 1 1 109 109 ARG CB C 144 30.851 30.851 30.305 0.546 18179 8025 1 13 . 1 1 109 109 ARG H H 144 8.108 8.108 8.401 -0.293 18179 8026 1 13 . 1 1 110 110 TYR N N 145 123.010 123.010 116.574 6.436 18179 8027 1 13 . 1 1 110 110 TYR HA H 145 4.506 4.506 4.626 -0.120 18179 8028 1 13 . 1 1 110 110 TYR C C 145 178.395 178.395 174.977 3.418 18179 8029 1 13 . 1 1 110 110 TYR CA C 145 57.217 57.217 57.241 -0.024 18179 8030 1 13 . 1 1 110 110 TYR CB C 145 37.232 37.232 38.441 -1.209 18179 8031 1 13 . 1 1 110 110 TYR H H 145 8.825 8.825 7.949 0.876 18179 8032 1 13 . 1 1 111 111 SER N N 146 120.152 120.152 119.186 0.966 18179 8033 1 13 . 1 1 111 111 SER HA H 146 3.948 3.948 4.387 -0.439 18179 8034 1 13 . 1 1 111 111 SER C C 146 174.939 174.939 174.572 0.367 18179 8035 1 13 . 1 1 111 111 SER CA C 146 60.850 60.850 59.665 1.185 18179 8036 1 13 . 1 1 111 111 SER CB C 146 62.776 62.776 63.375 -0.599 18179 8037 1 13 . 1 1 111 111 SER H H 146 8.616 8.616 8.915 -0.299 18179 8038 1 13 . 1 1 112 112 ASN N N 147 116.146 116.146 119.220 -3.074 18179 8039 1 13 . 1 1 112 112 ASN HA H 147 4.558 4.558 4.714 -0.156 18179 8040 1 13 . 1 1 112 112 ASN C C 147 173.693 173.693 175.049 -1.356 18179 8041 1 13 . 1 1 112 112 ASN CA C 147 53.209 53.209 53.841 -0.632 18179 8042 1 13 . 1 1 112 112 ASN CB C 147 37.534 37.534 39.090 -1.556 18179 8043 1 13 . 1 1 112 112 ASN H H 147 8.374 8.374 8.030 0.344 18179 8044 1 13 . 1 1 113 113 ARG N N 148 121.673 121.673 120.333 1.340 18179 8045 1 13 . 1 1 113 113 ARG HA H 148 4.226 4.226 4.235 -0.009 18179 8046 1 13 . 1 1 113 113 ARG C C 148 176.358 176.358 174.721 1.637 18179 8047 1 13 . 1 1 113 113 ARG CA C 148 55.251 55.251 55.336 -0.085 18179 8048 1 13 . 1 1 113 113 ARG CB C 148 30.973 30.973 30.236 0.737 18179 8049 1 13 . 1 1 113 113 ARG H H 148 6.782 6.782 8.016 -1.234 18179 8050 1 13 . 1 1 114 114 LEU N N 149 125.966 125.966 126.934 -0.968 18179 8051 1 13 . 1 1 114 114 LEU HA H 149 3.776 3.776 4.484 -0.708 18179 8052 1 13 . 1 1 114 114 LEU C C 149 175.787 175.787 174.690 1.097 18179 8053 1 13 . 1 1 114 114 LEU CA C 149 57.640 57.640 54.673 2.967 18179 8054 1 13 . 1 1 114 114 LEU CB C 149 43.153 43.153 43.865 -0.712 18179 8055 1 13 . 1 1 114 114 LEU H H 149 9.976 9.976 8.232 1.744 18179 8056 1 13 . 1 1 115 115 TYR N N 150 115.137 115.137 112.820 2.317 18179 8057 1 13 . 1 1 115 115 TYR HA H 150 4.947 4.947 4.752 0.195 18179 8058 1 13 . 1 1 115 115 TYR C C 150 174.449 174.449 173.786 0.663 18179 8059 1 13 . 1 1 115 115 TYR CA C 150 55.986 55.986 56.276 -0.290 18179 8060 1 13 . 1 1 115 115 TYR CB C 150 38.660 38.660 38.732 -0.072 18179 8061 1 13 . 1 1 115 115 TYR H H 150 8.272 8.272 6.899 1.373 18179 8062 1 13 . 1 1 116 116 ALA N N 151 121.349 121.349 128.184 -6.835 18179 8063 1 13 . 1 1 116 116 ALA HA H 151 5.086 5.086 4.727 0.359 18179 8064 1 13 . 1 1 116 116 ALA C C 151 177.541 177.541 175.059 2.482 18179 8065 1 13 . 1 1 116 116 ALA CA C 151 51.614 51.614 51.836 -0.222 18179 8066 1 13 . 1 1 116 116 ALA CB C 151 21.262 21.262 21.134 0.128 18179 8067 1 13 . 1 1 116 116 ALA H H 151 7.515 7.515 8.226 -0.711 18179 8068 1 13 . 1 1 117 117 TYR N N 152 115.287 115.287 116.323 -1.036 18179 8069 1 13 . 1 1 117 117 TYR HA H 152 4.693 4.693 4.888 -0.195 18179 8070 1 13 . 1 1 117 117 TYR C C 152 173.749 173.749 174.391 -0.642 18179 8071 1 13 . 1 1 117 117 TYR CA C 152 58.142 58.142 56.422 1.720 18179 8072 1 13 . 1 1 117 117 TYR CB C 152 42.827 42.827 39.819 3.008 18179 8073 1 13 . 1 1 117 117 TYR H H 152 6.916 6.916 7.916 -1.000 18179 8074 1 13 . 1 1 118 118 GLU N N 153 122.624 122.624 116.016 6.608 18179 8075 1 13 . 1 1 118 118 GLU HA H 153 4.951 4.951 4.327 0.624 18179 8076 1 13 . 1 1 118 118 GLU C C 153 175.895 175.895 174.747 1.148 18179 8077 1 13 . 1 1 118 118 GLU CA C 153 54.029 54.029 56.211 -2.182 18179 8078 1 13 . 1 1 118 118 GLU CB C 153 29.513 29.513 29.060 0.453 18179 8079 1 13 . 1 1 118 118 GLU H H 153 9.508 9.508 8.973 0.535 18179 8080 1 13 . 1 1 119 119 PRO HA H 154 4.119 4.119 4.313 -0.194 18179 8081 1 13 . 1 1 119 119 PRO C C 154 176.457 176.457 177.128 -0.671 18179 8082 1 13 . 1 1 119 119 PRO CA C 154 66.240 66.240 65.218 1.022 18179 8083 1 13 . 1 1 119 119 PRO CB C 154 31.682 31.682 31.631 0.050 18179 8084 1 13 . 1 1 120 120 ALA N N 155 114.721 114.721 115.909 -1.188 18179 8085 1 13 . 1 1 120 120 ALA HA H 155 4.372 4.372 4.271 0.101 18179 8086 1 13 . 1 1 120 120 ALA C C 155 178.528 178.528 177.874 0.654 18179 8087 1 13 . 1 1 120 120 ALA CA C 155 53.148 53.148 53.112 0.036 18179 8088 1 13 . 1 1 120 120 ALA CB C 155 18.782 18.782 18.549 0.233 18179 8089 1 13 . 1 1 120 120 ALA H H 155 7.697 7.697 7.880 -0.183 18179 8090 1 13 . 1 1 121 121 ASP N N 156 117.502 117.502 118.483 -0.981 18179 8091 1 13 . 1 1 121 121 ASP HA H 156 5.154 5.154 4.943 0.211 18179 8092 1 13 . 1 1 121 121 ASP C C 156 176.756 176.756 176.887 -0.131 18179 8093 1 13 . 1 1 121 121 ASP CA C 156 54.742 54.742 53.649 1.093 18179 8094 1 13 . 1 1 121 121 ASP CB C 156 42.326 42.326 41.499 0.827 18179 8095 1 13 . 1 1 121 121 ASP H H 156 8.493 8.493 8.194 0.299 18179 8096 1 13 . 1 1 122 122 THR N N 157 111.372 111.372 114.005 -2.633 18179 8097 1 13 . 1 1 122 122 THR HA H 157 3.738 3.738 3.945 -0.207 18179 8098 1 13 . 1 1 122 122 THR C C 157 176.023 176.023 175.995 0.028 18179 8099 1 13 . 1 1 122 122 THR CA C 157 66.673 66.673 66.038 0.635 18179 8100 1 13 . 1 1 122 122 THR CB C 157 67.967 67.967 68.817 -0.850 18179 8101 1 13 . 1 1 122 122 THR H H 157 7.428 7.428 7.550 -0.122 18179 8102 1 13 . 1 1 123 123 ALA N N 158 123.853 123.853 124.210 -0.357 18179 8103 1 13 . 1 1 123 123 ALA HA H 158 4.133 4.133 4.164 -0.031 18179 8104 1 13 . 1 1 123 123 ALA C C 158 179.987 179.987 179.367 0.620 18179 8105 1 13 . 1 1 123 123 ALA CA C 158 55.545 55.545 54.693 0.852 18179 8106 1 13 . 1 1 123 123 ALA CB C 158 17.458 17.458 18.131 -0.673 18179 8107 1 13 . 1 1 123 123 ALA H H 158 8.663 8.663 8.228 0.435 18179 8108 1 13 . 1 1 124 124 LEU N N 159 121.199 121.199 120.194 1.005 18179 8109 1 13 . 1 1 124 124 LEU HA H 159 4.229 4.229 3.955 0.274 18179 8110 1 13 . 1 1 124 124 LEU C C 159 178.342 178.342 179.348 -1.006 18179 8111 1 13 . 1 1 124 124 LEU CA C 159 57.329 57.329 57.758 -0.429 18179 8112 1 13 . 1 1 124 124 LEU CB C 159 41.956 41.956 41.513 0.443 18179 8113 1 13 . 1 1 124 124 LEU H H 159 7.444 7.444 7.596 -0.152 18179 8114 1 13 . 1 1 125 125 LEU N N 160 119.836 119.836 119.194 0.642 18179 8115 1 13 . 1 1 125 125 LEU HA H 160 3.963 3.963 4.055 -0.092 18179 8116 1 13 . 1 1 125 125 LEU C C 160 178.168 178.168 179.592 -1.424 18179 8117 1 13 . 1 1 125 125 LEU CA C 160 58.475 58.475 57.767 0.708 18179 8118 1 13 . 1 1 125 125 LEU CB C 160 40.915 40.915 42.030 -1.115 18179 8119 1 13 . 1 1 125 125 LEU H H 160 8.430 8.430 7.560 0.870 18179 8120 1 13 . 1 1 126 126 LEU N N 161 120.046 120.046 120.769 -0.723 18179 8121 1 13 . 1 1 126 126 LEU HA H 161 4.000 4.000 3.935 0.065 18179 8122 1 13 . 1 1 126 126 LEU C C 161 178.848 178.848 178.587 0.261 18179 8123 1 13 . 1 1 126 126 LEU CA C 161 58.524 58.524 58.227 0.297 18179 8124 1 13 . 1 1 126 126 LEU CB C 161 42.005 42.005 41.558 0.447 18179 8125 1 13 . 1 1 126 126 LEU H H 161 8.127 8.127 7.798 0.329 18179 8126 1 13 . 1 1 127 127 ASP N N 162 119.057 119.057 118.318 0.739 18179 8127 1 13 . 1 1 127 127 ASP HA H 162 4.267 4.267 4.332 -0.065 18179 8128 1 13 . 1 1 127 127 ASP C C 162 179.299 179.299 179.436 -0.137 18179 8129 1 13 . 1 1 127 127 ASP CA C 162 57.699 57.699 57.323 0.376 18179 8130 1 13 . 1 1 127 127 ASP CB C 162 40.564 40.564 40.859 -0.295 18179 8131 1 13 . 1 1 127 127 ASP H H 162 7.872 7.872 8.733 -0.861 18179 8132 1 13 . 1 1 128 128 ASN N N 163 122.268 122.268 119.580 2.688 18179 8133 1 13 . 1 1 128 128 ASN HA H 163 4.423 4.423 4.571 -0.148 18179 8134 1 13 . 1 1 128 128 ASN C C 163 177.256 177.256 177.265 -0.009 18179 8135 1 13 . 1 1 128 128 ASN CA C 163 54.502 54.502 55.885 -1.383 18179 8136 1 13 . 1 1 128 128 ASN CB C 163 36.821 36.821 38.653 -1.831 18179 8137 1 13 . 1 1 128 128 ASN H H 163 8.711 8.711 8.470 0.241 18179 8138 1 13 . 1 1 129 129 MET N N 164 122.448 122.448 117.284 5.164 18179 8139 1 13 . 1 1 129 129 MET HA H 164 3.583 3.583 4.529 -0.946 18179 8140 1 13 . 1 1 129 129 MET C C 164 178.272 178.272 178.545 -0.273 18179 8141 1 13 . 1 1 129 129 MET CA C 164 59.617 59.617 59.015 0.602 18179 8142 1 13 . 1 1 129 129 MET CB C 164 34.481 34.481 32.665 1.816 18179 8143 1 13 . 1 1 129 129 MET H H 164 8.704 8.704 8.424 0.280 18179 8144 1 13 . 1 1 130 130 LYS N N 165 117.243 117.243 120.796 -3.553 18179 8145 1 13 . 1 1 130 130 LYS HA H 165 3.869 3.869 4.126 -0.257 18179 8146 1 13 . 1 1 130 130 LYS C C 165 180.050 180.050 179.013 1.037 18179 8147 1 13 . 1 1 130 130 LYS CA C 165 60.517 60.517 59.345 1.172 18179 8148 1 13 . 1 1 130 130 LYS CB C 165 31.836 31.836 32.383 -0.547 18179 8149 1 13 . 1 1 130 130 LYS H H 165 7.767 7.767 8.233 -0.466 18179 8150 1 13 . 1 1 131 131 LYS N N 166 120.486 120.486 118.791 1.695 18179 8151 1 13 . 1 1 131 131 LYS HA H 166 3.853 3.853 4.083 -0.230 18179 8152 1 13 . 1 1 131 131 LYS C C 166 179.232 179.232 178.112 1.120 18179 8153 1 13 . 1 1 131 131 LYS CA C 166 60.171 60.171 59.271 0.900 18179 8154 1 13 . 1 1 131 131 LYS CB C 166 32.783 32.783 32.526 0.257 18179 8155 1 13 . 1 1 131 131 LYS H H 166 7.914 7.914 8.119 -0.205 18179 8156 1 13 . 1 1 132 132 ALA N N 167 122.426 122.426 119.737 2.689 18179 8157 1 13 . 1 1 132 132 ALA HA H 167 3.625 3.625 4.224 -0.599 18179 8158 1 13 . 1 1 132 132 ALA C C 167 177.616 177.616 179.530 -1.914 18179 8159 1 13 . 1 1 132 132 ALA CA C 167 54.246 54.246 54.340 -0.094 18179 8160 1 13 . 1 1 132 132 ALA CB C 167 18.261 18.261 18.629 -0.368 18179 8161 1 13 . 1 1 132 132 ALA H H 167 7.801 7.801 7.726 0.075 18179 8162 1 13 . 1 1 133 133 LEU N N 168 113.735 113.735 117.224 -3.489 18179 8163 1 13 . 1 1 133 133 LEU HA H 168 3.747 3.747 4.643 -0.896 18179 8164 1 13 . 1 1 133 133 LEU C C 168 177.322 177.322 177.298 0.024 18179 8165 1 13 . 1 1 133 133 LEU CA C 168 55.892 55.892 56.189 -0.297 18179 8166 1 13 . 1 1 133 133 LEU CB C 168 42.159 42.159 42.935 -0.777 18179 8167 1 13 . 1 1 133 133 LEU H H 168 7.010 7.010 7.550 -0.540 18179 8168 1 13 . 1 1 134 134 LYS N N 169 123.034 123.034 120.109 2.925 18179 8169 1 13 . 1 1 134 134 LYS HA H 169 4.331 4.331 4.542 -0.211 18179 8170 1 13 . 1 1 134 134 LYS C C 169 174.307 174.307 175.032 -0.725 18179 8171 1 13 . 1 1 134 134 LYS CA C 169 55.382 55.382 54.370 1.012 18179 8172 1 13 . 1 1 134 134 LYS CB C 169 29.718 29.718 31.727 -2.010 18179 8173 1 13 . 1 1 134 134 LYS H H 169 7.202 7.202 7.540 -0.338 18179 8174 1 13 . 1 1 135 135 LEU N N 170 120.490 120.490 121.197 -0.707 18179 8175 1 13 . 1 1 135 135 LEU HA H 170 3.980 3.980 4.331 -0.351 18179 8176 1 13 . 1 1 135 135 LEU C C 170 178.427 178.427 177.286 1.141 18179 8177 1 13 . 1 1 135 135 LEU CA C 170 54.884 54.884 55.752 -0.869 18179 8178 1 13 . 1 1 135 135 LEU CB C 170 40.903 40.903 40.820 0.083 18179 8179 1 13 . 1 1 135 135 LEU H H 170 7.334 7.334 8.077 -0.743 18179 8180 1 13 . 1 1 136 136 LEU N N 171 120.084 120.084 120.903 -0.819 18179 8181 1 13 . 1 1 136 136 LEU HA H 171 4.040 4.040 4.015 0.025 18179 8182 1 13 . 1 1 136 136 LEU C C 171 178.231 178.231 176.648 1.583 18179 8183 1 13 . 1 1 136 136 LEU CA C 171 55.750 55.750 56.592 -0.842 18179 8184 1 13 . 1 1 136 136 LEU CB C 171 41.734 41.734 40.368 1.366 18179 8185 1 13 . 1 1 136 136 LEU H H 171 8.614 8.614 8.629 -0.015 18179 8186 1 13 . 1 1 137 137 LYS N N 172 121.059 121.059 119.904 1.155 18179 8187 1 13 . 1 1 137 137 LYS HA H 172 4.333 4.333 4.050 0.283 18179 8188 1 13 . 1 1 137 137 LYS C C 172 174.388 174.388 175.627 -1.239 18179 8189 1 13 . 1 1 137 137 LYS CA C 172 55.903 55.903 57.300 -1.397 18179 8190 1 13 . 1 1 137 137 LYS CB C 172 32.681 32.681 31.891 0.790 18179 8191 1 13 . 1 1 137 137 LYS H H 172 8.468 8.468 8.236 0.232 18179 8192 1 13 . 1 1 138 138 THR N N 173 116.267 116.267 113.452 2.815 18179 8193 1 13 . 1 1 138 138 THR HA H 173 4.261 4.261 4.470 -0.209 18179 8194 1 13 . 1 1 138 138 THR C C 173 174.267 174.267 175.183 -0.916 18179 8195 1 13 . 1 1 138 138 THR CA C 173 61.867 61.867 62.252 -0.385 18179 8196 1 13 . 1 1 138 138 THR CB C 173 69.848 69.848 69.334 0.514 18179 8197 1 13 . 1 1 138 138 THR H H 173 8.095 8.095 8.083 0.012 18179 8198 1 13 . 1 1 139 139 GLU N N 174 123.648 123.648 120.168 3.480 18179 8199 1 13 . 1 1 139 139 GLU HA H 174 4.288 4.288 4.450 -0.162 18179 8200 1 13 . 1 1 139 139 GLU C C 174 175.178 175.178 176.858 -1.680 18179 8201 1 13 . 1 1 139 139 GLU CA C 174 56.205 56.205 56.596 -0.391 18179 8202 1 13 . 1 1 139 139 GLU CB C 174 30.353 30.353 30.474 -0.120 18179 8203 1 13 . 1 1 139 139 GLU H H 174 8.293 8.293 8.319 -0.026 18179 8204 1 14 . 1 1 17 17 LEU N N 52 120.529 120.529 120.445 0.084 18179 8205 1 14 . 1 1 17 17 LEU HA H 52 4.317 4.317 4.376 -0.059 18179 8206 1 14 . 1 1 17 17 LEU CA C 52 53.456 53.456 53.408 0.048 18179 8207 1 14 . 1 1 17 17 LEU CB C 52 42.494 42.494 43.123 -0.629 18179 8208 1 14 . 1 1 17 17 LEU H H 52 7.103 7.103 7.515 -0.412 18179 8209 1 14 . 1 1 18 18 ILE CB C 53 36.458 36.458 38.920 -2.462 18179 8210 1 14 . 1 1 23 23 TYR HA H 58 4.359 4.359 4.019 0.340 18179 8211 1 14 . 1 1 23 23 TYR C C 58 176.387 176.387 176.956 -0.569 18179 8212 1 14 . 1 1 23 23 TYR CA C 58 59.597 59.597 63.549 -3.952 18179 8213 1 14 . 1 1 23 23 TYR CB C 58 38.572 38.572 38.968 -0.396 18179 8214 1 14 . 1 1 24 24 GLU N N 59 117.335 117.335 118.363 -1.028 18179 8215 1 14 . 1 1 24 24 GLU CA C 59 60.871 60.871 59.711 1.160 18179 8216 1 14 . 1 1 24 24 GLU CB C 59 28.494 28.494 29.068 -0.574 18179 8217 1 14 . 1 1 24 24 GLU H H 59 9.191 9.191 9.037 0.154 18179 8218 1 14 . 1 1 25 25 ALA N N 60 120.861 120.861 121.606 -0.745 18179 8219 1 14 . 1 1 25 25 ALA CA C 60 54.555 54.555 54.400 0.155 18179 8220 1 14 . 1 1 25 25 ALA CB C 60 18.528 18.528 18.153 0.375 18179 8221 1 14 . 1 1 25 25 ALA H H 60 7.688 7.688 7.593 0.095 18179 8222 1 14 . 1 1 26 26 ALA N N 61 123.402 123.402 122.247 1.155 18179 8223 1 14 . 1 1 26 26 ALA HA H 61 3.900 3.900 3.974 -0.074 18179 8224 1 14 . 1 1 26 26 ALA CA C 61 55.346 55.346 55.130 0.216 18179 8225 1 14 . 1 1 26 26 ALA CB C 61 19.104 19.104 18.413 0.691 18179 8226 1 14 . 1 1 26 26 ALA H H 61 8.225 8.225 8.331 -0.106 18179 8227 1 14 . 1 1 27 27 LEU N N 62 118.742 118.742 117.709 1.033 18179 8228 1 14 . 1 1 27 27 LEU HA H 62 3.700 3.700 3.971 -0.271 18179 8229 1 14 . 1 1 27 27 LEU C C 62 171.911 171.911 179.641 -7.730 18179 8230 1 14 . 1 1 27 27 LEU CA C 62 57.654 57.654 57.567 0.087 18179 8231 1 14 . 1 1 27 27 LEU CB C 62 41.905 41.905 41.628 0.277 18179 8232 1 14 . 1 1 27 27 LEU H H 62 8.336 8.336 8.156 0.180 18179 8233 1 14 . 1 1 28 28 TYR N N 63 117.594 117.594 115.856 1.738 18179 8234 1 14 . 1 1 28 28 TYR HA H 63 4.007 4.007 4.248 -0.241 18179 8235 1 14 . 1 1 28 28 TYR C C 63 179.075 179.075 177.704 1.371 18179 8236 1 14 . 1 1 28 28 TYR CA C 63 61.769 61.769 61.539 0.230 18179 8237 1 14 . 1 1 28 28 TYR CB C 63 38.071 38.071 37.872 0.199 18179 8238 1 14 . 1 1 28 28 TYR H H 63 7.279 7.279 7.762 -0.483 18179 8239 1 14 . 1 1 29 29 LYS N N 64 121.077 121.077 121.103 -0.026 18179 8240 1 14 . 1 1 29 29 LYS HA H 64 3.663 3.663 4.394 -0.731 18179 8241 1 14 . 1 1 29 29 LYS C C 64 176.394 176.394 178.952 -2.558 18179 8242 1 14 . 1 1 29 29 LYS CA C 64 59.230 59.230 57.649 1.581 18179 8243 1 14 . 1 1 29 29 LYS CB C 64 32.573 32.573 32.355 0.218 18179 8244 1 14 . 1 1 29 29 LYS H H 64 8.472 8.472 7.870 0.602 18179 8245 1 14 . 1 1 30 30 SER N N 65 117.933 117.933 117.160 0.773 18179 8246 1 14 . 1 1 30 30 SER HA H 65 4.160 4.160 4.339 -0.179 18179 8247 1 14 . 1 1 30 30 SER C C 65 176.518 176.518 177.072 -0.554 18179 8248 1 14 . 1 1 30 30 SER CA C 65 61.706 61.706 61.344 0.362 18179 8249 1 14 . 1 1 30 30 SER CB C 65 64.022 64.022 63.135 0.888 18179 8250 1 14 . 1 1 30 30 SER H H 65 8.500 8.500 8.668 -0.168 18179 8251 1 14 . 1 1 31 31 LYS N N 66 117.248 117.248 122.850 -5.602 18179 8252 1 14 . 1 1 31 31 LYS HA H 66 4.301 4.301 4.007 0.294 18179 8253 1 14 . 1 1 31 31 LYS C C 66 179.721 179.721 178.582 1.139 18179 8254 1 14 . 1 1 31 31 LYS CA C 66 59.165 59.165 59.120 0.046 18179 8255 1 14 . 1 1 31 31 LYS CB C 66 32.372 32.372 32.351 0.021 18179 8256 1 14 . 1 1 31 31 LYS H H 66 8.020 8.020 8.047 -0.027 18179 8257 1 14 . 1 1 32 32 THR N N 67 109.772 109.772 109.737 0.035 18179 8258 1 14 . 1 1 32 32 THR HA H 67 3.883 3.883 4.347 -0.464 18179 8259 1 14 . 1 1 32 32 THR C C 67 176.237 176.237 175.701 0.536 18179 8260 1 14 . 1 1 32 32 THR CA C 67 64.813 64.813 63.979 0.834 18179 8261 1 14 . 1 1 32 32 THR CB C 67 69.445 69.445 69.057 0.388 18179 8262 1 14 . 1 1 32 32 THR H H 67 7.844 7.844 7.672 0.172 18179 8263 1 14 . 1 1 33 33 SER N N 68 115.610 115.610 115.463 0.147 18179 8264 1 14 . 1 1 33 33 SER HA H 68 4.369 4.369 4.468 -0.099 18179 8265 1 14 . 1 1 33 33 SER C C 68 174.628 174.628 174.780 -0.152 18179 8266 1 14 . 1 1 33 33 SER CA C 68 59.242 59.242 58.046 1.196 18179 8267 1 14 . 1 1 33 33 SER CB C 68 65.166 65.166 64.756 0.410 18179 8268 1 14 . 1 1 33 33 SER H H 68 8.047 8.047 7.830 0.217 18179 8269 1 14 . 1 1 34 34 ASN N N 69 110.215 110.215 119.934 -9.719 18179 8270 1 14 . 1 1 34 34 ASN HA H 69 4.181 4.181 4.371 -0.190 18179 8271 1 14 . 1 1 34 34 ASN C C 69 173.253 173.253 173.449 -0.196 18179 8272 1 14 . 1 1 34 34 ASN CA C 69 54.302 54.302 54.317 -0.015 18179 8273 1 14 . 1 1 34 34 ASN CB C 69 38.506 38.506 37.244 1.262 18179 8274 1 14 . 1 1 34 34 ASN H H 69 8.061 8.061 8.192 -0.131 18179 8275 1 14 . 1 1 35 35 LYS N N 70 117.312 117.312 118.421 -1.109 18179 8276 1 14 . 1 1 35 35 LYS HA H 70 4.676 4.676 4.836 -0.160 18179 8277 1 14 . 1 1 35 35 LYS CA C 70 53.385 53.385 53.247 0.138 18179 8278 1 14 . 1 1 35 35 LYS CB C 70 34.049 34.049 34.116 -0.067 18179 8279 1 14 . 1 1 35 35 LYS H H 70 7.589 7.589 7.533 0.056 18179 8280 1 14 . 1 1 36 36 PRO HA H 71 4.371 4.371 4.493 -0.122 18179 8281 1 14 . 1 1 36 36 PRO C C 71 172.189 172.189 175.737 -3.548 18179 8282 1 14 . 1 1 36 36 PRO CA C 71 62.356 62.356 62.583 -0.227 18179 8283 1 14 . 1 1 36 36 PRO CB C 71 31.785 31.785 32.594 -0.809 18179 8284 1 14 . 1 1 37 37 LEU N N 72 122.894 122.894 122.916 -0.022 18179 8285 1 14 . 1 1 37 37 LEU HA H 72 5.392 5.392 4.717 0.675 18179 8286 1 14 . 1 1 37 37 LEU C C 72 174.422 174.422 176.190 -1.768 18179 8287 1 14 . 1 1 37 37 LEU CA C 72 52.656 52.656 53.870 -1.214 18179 8288 1 14 . 1 1 37 37 LEU CB C 72 45.220 45.220 44.223 0.997 18179 8289 1 14 . 1 1 37 37 LEU H H 72 8.936 8.936 7.999 0.937 18179 8290 1 14 . 1 1 38 38 MET N N 73 128.922 128.922 122.543 6.379 18179 8291 1 14 . 1 1 38 38 MET C C 73 172.488 172.488 175.703 -3.215 18179 8292 1 14 . 1 1 38 38 MET CA C 73 54.806 54.806 54.721 0.085 18179 8293 1 14 . 1 1 38 38 MET CB C 73 35.127 35.127 32.129 2.998 18179 8294 1 14 . 1 1 38 38 MET H H 73 8.965 8.965 8.570 0.395 18179 8295 1 14 . 1 1 39 39 ILE N N 74 124.016 124.016 121.614 2.402 18179 8296 1 14 . 1 1 39 39 ILE HA H 74 4.819 4.819 4.545 0.274 18179 8297 1 14 . 1 1 39 39 ILE C C 74 175.018 175.018 174.930 0.088 18179 8298 1 14 . 1 1 39 39 ILE CA C 74 59.688 59.688 60.572 -0.884 18179 8299 1 14 . 1 1 39 39 ILE CB C 74 40.407 40.407 38.367 2.040 18179 8300 1 14 . 1 1 39 39 ILE H H 74 8.727 8.727 9.248 -0.521 18179 8301 1 14 . 1 1 40 40 ILE N N 75 126.837 126.837 127.841 -1.004 18179 8302 1 14 . 1 1 40 40 ILE HA H 75 4.038 4.038 4.318 -0.280 18179 8303 1 14 . 1 1 40 40 ILE C C 75 175.282 175.282 175.001 0.281 18179 8304 1 14 . 1 1 40 40 ILE CA C 75 60.408 60.408 59.770 0.638 18179 8305 1 14 . 1 1 40 40 ILE CB C 75 40.028 40.028 36.637 3.391 18179 8306 1 14 . 1 1 40 40 ILE H H 75 8.587 8.587 8.230 0.357 18179 8307 1 14 . 1 1 41 41 HIS N N 76 128.633 128.633 126.525 2.108 18179 8308 1 14 . 1 1 41 41 HIS CA C 76 56.453 56.453 54.864 1.589 18179 8309 1 14 . 1 1 41 41 HIS CB C 76 29.368 29.368 34.085 -4.717 18179 8310 1 14 . 1 1 41 41 HIS H H 76 9.145 9.145 8.164 0.982 18179 8311 1 14 . 1 1 42 42 HIS HA H 77 4.822 4.822 4.883 -0.061 18179 8312 1 14 . 1 1 42 42 HIS C C 77 170.942 170.942 172.021 -1.079 18179 8313 1 14 . 1 1 42 42 HIS CA C 77 54.441 54.441 54.288 0.153 18179 8314 1 14 . 1 1 42 42 HIS CB C 77 34.768 34.768 32.731 2.037 18179 8315 1 14 . 1 1 43 43 LEU N N 78 114.526 114.526 120.908 -6.382 18179 8316 1 14 . 1 1 43 43 LEU HA H 78 4.540 4.540 3.717 0.823 18179 8317 1 14 . 1 1 43 43 LEU C C 78 177.855 177.855 177.035 0.820 18179 8318 1 14 . 1 1 43 43 LEU CA C 78 54.020 54.020 53.429 0.591 18179 8319 1 14 . 1 1 43 43 LEU CB C 78 46.643 46.643 44.463 2.180 18179 8320 1 14 . 1 1 43 43 LEU H H 78 7.077 7.077 8.659 -1.582 18179 8321 1 14 . 1 1 44 44 ASP N N 79 123.675 123.675 122.944 0.731 18179 8322 1 14 . 1 1 44 44 ASP HA H 79 4.452 4.452 4.613 -0.161 18179 8323 1 14 . 1 1 44 44 ASP C C 79 177.872 177.872 176.615 1.257 18179 8324 1 14 . 1 1 44 44 ASP CA C 79 57.458 57.458 55.989 1.470 18179 8325 1 14 . 1 1 44 44 ASP CB C 79 40.739 40.739 41.164 -0.425 18179 8326 1 14 . 1 1 44 44 ASP H H 79 8.783 8.783 8.070 0.713 18179 8327 1 14 . 1 1 45 45 GLU N N 80 115.578 115.578 118.641 -3.063 18179 8328 1 14 . 1 1 45 45 GLU HA H 80 4.156 4.156 4.470 -0.314 18179 8329 1 14 . 1 1 45 45 GLU C C 80 175.108 175.108 175.938 -0.830 18179 8330 1 14 . 1 1 45 45 GLU CA C 80 56.661 56.661 55.952 0.709 18179 8331 1 14 . 1 1 45 45 GLU CB C 80 28.604 28.604 28.792 -0.188 18179 8332 1 14 . 1 1 45 45 GLU H H 80 9.146 9.146 8.593 0.553 18179 8333 1 14 . 1 1 46 46 CYS N N 81 125.642 125.642 117.532 8.110 18179 8334 1 14 . 1 1 46 46 CYS HA H 81 4.814 4.814 4.723 0.091 18179 8335 1 14 . 1 1 46 46 CYS C C 81 175.453 175.453 172.464 2.989 18179 8336 1 14 . 1 1 46 46 CYS CA C 81 56.298 56.298 55.789 0.509 18179 8337 1 14 . 1 1 46 46 CYS CB C 81 30.378 30.378 28.130 2.248 18179 8338 1 14 . 1 1 46 46 CYS H H 81 7.146 7.146 7.244 -0.098 18179 8339 1 14 . 1 1 47 47 PRO HA H 82 4.311 4.311 4.179 0.132 18179 8340 1 14 . 1 1 47 47 PRO CA C 82 64.536 64.536 63.840 0.696 18179 8341 1 14 . 1 1 47 47 PRO CB C 82 32.069 32.069 32.050 0.019 18179 8342 1 14 . 1 1 48 48 HIS N N 83 124.416 124.416 121.441 2.975 18179 8343 1 14 . 1 1 48 48 HIS HA H 83 4.511 4.511 4.357 0.154 18179 8344 1 14 . 1 1 48 48 HIS C C 83 178.820 178.820 177.453 1.367 18179 8345 1 14 . 1 1 48 48 HIS CA C 83 59.042 59.042 57.478 1.564 18179 8346 1 14 . 1 1 48 48 HIS CB C 83 28.921 28.921 29.847 -0.926 18179 8347 1 14 . 1 1 48 48 HIS H H 83 8.936 8.936 8.459 0.477 18179 8348 1 14 . 1 1 49 49 SER N N 84 129.973 129.973 119.065 10.908 18179 8349 1 14 . 1 1 49 49 SER HA H 84 4.152 4.152 3.990 0.162 18179 8350 1 14 . 1 1 49 49 SER C C 84 175.397 175.397 175.580 -0.183 18179 8351 1 14 . 1 1 49 49 SER CA C 84 63.873 63.873 62.230 1.643 18179 8352 1 14 . 1 1 49 49 SER CB C 84 65.516 65.516 62.670 2.846 18179 8353 1 14 . 1 1 49 49 SER H H 84 11.408 11.408 9.037 2.371 18179 8354 1 14 . 1 1 50 50 GLN N N 85 118.214 118.214 120.410 -2.196 18179 8355 1 14 . 1 1 50 50 GLN HA H 85 3.701 3.701 4.103 -0.402 18179 8356 1 14 . 1 1 50 50 GLN C C 85 178.213 178.213 177.808 0.405 18179 8357 1 14 . 1 1 50 50 GLN CA C 85 58.201 58.201 58.283 -0.082 18179 8358 1 14 . 1 1 50 50 GLN CB C 85 27.294 27.294 27.958 -0.664 18179 8359 1 14 . 1 1 50 50 GLN H H 85 8.192 8.192 8.144 0.048 18179 8360 1 14 . 1 1 51 51 ALA N N 86 121.790 121.790 122.930 -1.140 18179 8361 1 14 . 1 1 51 51 ALA HA H 86 4.099 4.099 4.159 -0.060 18179 8362 1 14 . 1 1 51 51 ALA C C 86 180.512 180.512 179.344 1.168 18179 8363 1 14 . 1 1 51 51 ALA CA C 86 54.742 54.742 54.737 0.005 18179 8364 1 14 . 1 1 51 51 ALA CB C 86 18.559 18.559 18.442 0.117 18179 8365 1 14 . 1 1 51 51 ALA H H 86 7.748 7.748 8.109 -0.361 18179 8366 1 14 . 1 1 52 52 LEU N N 87 118.528 118.528 119.793 -1.265 18179 8367 1 14 . 1 1 52 52 LEU HA H 87 4.076 4.076 4.163 -0.087 18179 8368 1 14 . 1 1 52 52 LEU CA C 87 57.266 57.266 57.182 0.084 18179 8369 1 14 . 1 1 52 52 LEU CB C 87 41.947 41.947 41.936 0.011 18179 8370 1 14 . 1 1 52 52 LEU H H 87 7.918 7.918 7.645 0.273 18179 8371 1 14 . 1 1 53 53 LYS N N 88 120.398 120.398 119.047 1.351 18179 8372 1 14 . 1 1 53 53 LYS H H 88 7.932 7.932 8.729 -0.797 18179 8373 1 14 . 1 1 54 54 LYS N N 89 115.219 115.219 119.749 -4.530 18179 8374 1 14 . 1 1 54 54 LYS HA H 89 3.790 3.790 4.034 -0.244 18179 8375 1 14 . 1 1 54 54 LYS C C 89 178.614 178.614 178.591 0.023 18179 8376 1 14 . 1 1 54 54 LYS CA C 89 59.308 59.308 59.365 -0.057 18179 8377 1 14 . 1 1 54 54 LYS CB C 89 32.530 32.530 31.843 0.687 18179 8378 1 14 . 1 1 54 54 LYS H H 89 6.889 6.889 7.652 -0.763 18179 8379 1 14 . 1 1 55 55 VAL N N 90 110.991 110.991 118.563 -7.572 18179 8380 1 14 . 1 1 55 55 VAL HA H 90 4.049 4.049 3.878 0.171 18179 8381 1 14 . 1 1 55 55 VAL C C 90 178.054 178.054 177.453 0.601 18179 8382 1 14 . 1 1 55 55 VAL CA C 90 64.467 64.467 64.765 -0.298 18179 8383 1 14 . 1 1 55 55 VAL CB C 90 31.625 31.625 31.281 0.344 18179 8384 1 14 . 1 1 55 55 VAL H H 90 6.748 6.748 7.447 -0.699 18179 8385 1 14 . 1 1 56 56 PHE N N 91 124.010 124.010 121.807 2.203 18179 8386 1 14 . 1 1 56 56 PHE HA H 91 3.829 3.829 4.031 -0.202 18179 8387 1 14 . 1 1 56 56 PHE C C 91 177.496 177.496 175.840 1.656 18179 8388 1 14 . 1 1 56 56 PHE CA C 91 61.854 61.854 61.900 -0.046 18179 8389 1 14 . 1 1 56 56 PHE CB C 91 41.828 41.828 39.157 2.671 18179 8390 1 14 . 1 1 56 56 PHE H H 91 8.722 8.722 8.235 0.487 18179 8391 1 14 . 1 1 57 57 ALA N N 92 118.444 118.444 117.622 0.822 18179 8392 1 14 . 1 1 57 57 ALA HA H 92 4.185 4.185 4.557 -0.372 18179 8393 1 14 . 1 1 57 57 ALA C C 92 180.660 180.660 178.478 2.182 18179 8394 1 14 . 1 1 57 57 ALA CA C 92 54.288 54.288 53.319 0.969 18179 8395 1 14 . 1 1 57 57 ALA CB C 92 18.487 18.487 19.602 -1.115 18179 8396 1 14 . 1 1 57 57 ALA H H 92 8.695 8.695 7.911 0.784 18179 8397 1 14 . 1 1 58 58 GLU N N 93 112.263 112.263 116.405 -4.142 18179 8398 1 14 . 1 1 58 58 GLU HA H 93 4.156 4.156 4.216 -0.060 18179 8399 1 14 . 1 1 58 58 GLU C C 93 175.641 175.641 176.371 -0.730 18179 8400 1 14 . 1 1 58 58 GLU CA C 93 55.883 55.883 57.056 -1.173 18179 8401 1 14 . 1 1 58 58 GLU CB C 93 30.495 30.495 30.092 0.403 18179 8402 1 14 . 1 1 58 58 GLU H H 93 7.108 7.108 7.669 -0.561 18179 8403 1 14 . 1 1 59 59 ASN N N 94 120.422 120.422 118.955 1.467 18179 8404 1 14 . 1 1 59 59 ASN HA H 94 4.590 4.590 4.748 -0.158 18179 8405 1 14 . 1 1 59 59 ASN C C 94 174.151 174.151 175.861 -1.710 18179 8406 1 14 . 1 1 59 59 ASN CA C 94 54.056 54.056 52.388 1.668 18179 8407 1 14 . 1 1 59 59 ASN CB C 94 38.723 38.723 39.424 -0.701 18179 8408 1 14 . 1 1 59 59 ASN H H 94 7.269 7.269 7.738 -0.469 18179 8409 1 14 . 1 1 60 60 LYS N N 95 127.497 127.497 126.371 1.126 18179 8410 1 14 . 1 1 60 60 LYS HA H 95 3.770 3.770 3.905 -0.135 18179 8411 1 14 . 1 1 60 60 LYS C C 95 178.959 178.959 178.337 0.622 18179 8412 1 14 . 1 1 60 60 LYS CA C 95 59.337 59.337 59.793 -0.456 18179 8413 1 14 . 1 1 60 60 LYS CB C 95 32.170 32.170 32.267 -0.097 18179 8414 1 14 . 1 1 60 60 LYS H H 95 8.672 8.672 8.850 -0.178 18179 8415 1 14 . 1 1 61 61 GLU N N 96 119.409 119.409 119.358 0.051 18179 8416 1 14 . 1 1 61 61 GLU HA H 96 3.984 3.984 4.042 -0.058 18179 8417 1 14 . 1 1 61 61 GLU C C 96 179.574 179.574 178.986 0.588 18179 8418 1 14 . 1 1 61 61 GLU CA C 96 59.955 59.955 58.905 1.050 18179 8419 1 14 . 1 1 61 61 GLU CB C 96 29.246 29.246 29.524 -0.278 18179 8420 1 14 . 1 1 61 61 GLU H H 96 7.988 7.988 7.672 0.316 18179 8421 1 14 . 1 1 62 62 ILE N N 97 122.621 122.621 120.095 2.526 18179 8422 1 14 . 1 1 62 62 ILE HA H 97 3.224 3.224 3.604 -0.380 18179 8423 1 14 . 1 1 62 62 ILE C C 97 177.158 177.158 178.280 -1.122 18179 8424 1 14 . 1 1 62 62 ILE CA C 97 65.787 65.787 64.668 1.119 18179 8425 1 14 . 1 1 62 62 ILE CB C 97 37.710 37.710 37.879 -0.169 18179 8426 1 14 . 1 1 62 62 ILE H H 97 8.484 8.484 8.322 0.162 18179 8427 1 14 . 1 1 63 63 GLN N N 98 115.619 115.619 118.539 -2.920 18179 8428 1 14 . 1 1 63 63 GLN HA H 98 3.481 3.481 3.795 -0.314 18179 8429 1 14 . 1 1 63 63 GLN C C 98 178.097 178.097 177.808 0.289 18179 8430 1 14 . 1 1 63 63 GLN CA C 98 58.601 58.601 58.533 0.068 18179 8431 1 14 . 1 1 63 63 GLN CB C 98 28.834 28.834 28.106 0.728 18179 8432 1 14 . 1 1 63 63 GLN H H 98 8.046 8.046 7.907 0.139 18179 8433 1 14 . 1 1 64 64 LYS N N 99 116.464 116.464 119.644 -3.180 18179 8434 1 14 . 1 1 64 64 LYS HA H 99 4.125 4.125 4.145 -0.020 18179 8435 1 14 . 1 1 64 64 LYS C C 99 179.740 179.740 178.980 0.760 18179 8436 1 14 . 1 1 64 64 LYS CA C 99 57.955 57.955 59.145 -1.190 18179 8437 1 14 . 1 1 64 64 LYS CB C 99 32.054 32.054 32.172 -0.118 18179 8438 1 14 . 1 1 64 64 LYS H H 99 7.578 7.578 7.583 -0.005 18179 8439 1 14 . 1 1 65 65 LEU N N 100 122.576 122.576 118.851 3.725 18179 8440 1 14 . 1 1 65 65 LEU HA H 100 4.128 4.128 4.118 0.010 18179 8441 1 14 . 1 1 65 65 LEU C C 100 178.481 178.481 178.905 -0.424 18179 8442 1 14 . 1 1 65 65 LEU CA C 100 57.044 57.044 56.903 0.141 18179 8443 1 14 . 1 1 65 65 LEU CB C 100 41.883 41.883 41.024 0.859 18179 8444 1 14 . 1 1 65 65 LEU H H 100 7.916 7.916 7.600 0.316 18179 8445 1 14 . 1 1 66 66 ALA N N 101 119.534 119.534 121.570 -2.036 18179 8446 1 14 . 1 1 66 66 ALA HA H 101 3.810 3.810 2.190 1.620 18179 8447 1 14 . 1 1 66 66 ALA C C 101 177.520 177.520 178.915 -1.395 18179 8448 1 14 . 1 1 66 66 ALA CA C 101 54.772 54.772 53.705 1.067 18179 8449 1 14 . 1 1 66 66 ALA CB C 101 17.737 17.737 18.031 -0.294 18179 8450 1 14 . 1 1 66 66 ALA H H 101 8.511 8.511 7.520 0.991 18179 8451 1 14 . 1 1 67 67 GLU N N 102 113.081 113.081 116.792 -3.711 18179 8452 1 14 . 1 1 67 67 GLU HA H 102 4.113 4.113 3.831 0.282 18179 8453 1 14 . 1 1 67 67 GLU C C 102 178.295 178.295 178.438 -0.143 18179 8454 1 14 . 1 1 67 67 GLU CA C 102 58.285 58.285 58.559 -0.274 18179 8455 1 14 . 1 1 67 67 GLU CB C 102 29.952 29.952 29.280 0.672 18179 8456 1 14 . 1 1 67 67 GLU H H 102 7.039 7.039 7.491 -0.452 18179 8457 1 14 . 1 1 68 68 GLN N N 103 116.244 116.244 116.043 0.201 18179 8458 1 14 . 1 1 68 68 GLN HA H 103 4.107 4.107 4.263 -0.156 18179 8459 1 14 . 1 1 68 68 GLN C C 103 173.173 173.173 176.321 -3.148 18179 8460 1 14 . 1 1 68 68 GLN CA C 103 56.094 56.094 56.465 -0.371 18179 8461 1 14 . 1 1 68 68 GLN CB C 103 28.703 28.703 29.139 -0.436 18179 8462 1 14 . 1 1 68 68 GLN H H 103 8.167 8.167 7.424 0.743 18179 8463 1 14 . 1 1 69 69 PHE N N 104 116.822 116.822 114.924 1.898 18179 8464 1 14 . 1 1 69 69 PHE HA H 104 4.645 4.645 4.795 -0.150 18179 8465 1 14 . 1 1 69 69 PHE C C 104 177.346 177.346 173.642 3.704 18179 8466 1 14 . 1 1 69 69 PHE CA C 104 57.254 57.254 55.321 1.933 18179 8467 1 14 . 1 1 69 69 PHE CB C 104 40.897 40.897 40.835 0.062 18179 8468 1 14 . 1 1 69 69 PHE H H 104 7.633 7.633 6.742 0.891 18179 8469 1 14 . 1 1 70 70 VAL N N 105 120.799 120.799 119.318 1.481 18179 8470 1 14 . 1 1 70 70 VAL HA H 105 3.867 3.867 4.453 -0.586 18179 8471 1 14 . 1 1 70 70 VAL C C 105 174.191 174.191 175.274 -1.083 18179 8472 1 14 . 1 1 70 70 VAL CA C 105 63.450 63.450 61.735 1.715 18179 8473 1 14 . 1 1 70 70 VAL CB C 105 31.566 31.566 33.724 -2.159 18179 8474 1 14 . 1 1 70 70 VAL H H 105 8.943 8.943 8.710 0.233 18179 8475 1 14 . 1 1 71 71 LEU N N 106 129.105 129.105 120.896 8.209 18179 8476 1 14 . 1 1 71 71 LEU HA H 106 4.850 4.850 4.894 -0.044 18179 8477 1 14 . 1 1 71 71 LEU CA C 106 53.854 53.854 53.291 0.563 18179 8478 1 14 . 1 1 71 71 LEU CB C 106 44.478 44.478 44.456 0.021 18179 8479 1 14 . 1 1 71 71 LEU H H 106 8.432 8.432 8.235 0.197 18179 8480 1 14 . 1 1 72 72 LEU N N 107 123.682 123.682 120.487 3.195 18179 8481 1 14 . 1 1 72 72 LEU H H 107 8.298 8.298 8.190 0.108 18179 8482 1 14 . 1 1 73 73 ASN N N 108 125.520 125.520 118.592 6.928 18179 8483 1 14 . 1 1 73 73 ASN CA C 108 51.631 51.631 53.466 -1.835 18179 8484 1 14 . 1 1 73 73 ASN CB C 108 41.484 41.484 38.219 3.265 18179 8485 1 14 . 1 1 73 73 ASN H H 108 9.761 9.761 8.552 1.209 18179 8486 1 14 . 1 1 74 74 LEU N N 109 122.070 122.070 117.966 4.104 18179 8487 1 14 . 1 1 74 74 LEU H H 109 8.563 8.563 7.871 0.692 18179 8488 1 14 . 1 1 75 75 VAL HA H 110 5.100 5.100 4.234 0.866 18179 8489 1 14 . 1 1 75 75 VAL CA C 110 59.157 59.157 59.201 -0.044 18179 8490 1 14 . 1 1 76 76 TYR N N 111 120.641 120.641 119.793 0.848 18179 8491 1 14 . 1 1 76 76 TYR HA H 111 4.569 4.569 4.797 -0.228 18179 8492 1 14 . 1 1 76 76 TYR C C 111 175.393 175.393 176.267 -0.874 18179 8493 1 14 . 1 1 76 76 TYR CA C 111 57.736 57.736 59.876 -2.139 18179 8494 1 14 . 1 1 76 76 TYR CB C 111 39.426 39.426 38.995 0.431 18179 8495 1 14 . 1 1 76 76 TYR H H 111 8.255 8.255 8.537 -0.282 18179 8496 1 14 . 1 1 79 79 THR HA H 114 4.180 4.180 4.063 0.117 18179 8497 1 14 . 1 1 79 79 THR CA C 114 61.295 61.295 64.985 -3.690 18179 8498 1 14 . 1 1 79 79 THR CB C 114 68.683 68.683 69.059 -0.376 18179 8499 1 14 . 1 1 80 80 ASP N N 115 121.026 121.026 120.632 0.394 18179 8500 1 14 . 1 1 80 80 ASP C C 115 177.959 177.959 176.006 1.953 18179 8501 1 14 . 1 1 80 80 ASP CA C 115 53.276 53.276 53.275 0.001 18179 8502 1 14 . 1 1 80 80 ASP H H 115 7.746 7.746 8.192 -0.446 18179 8503 1 14 . 1 1 81 81 LYS N N 116 129.056 129.056 124.954 4.102 18179 8504 1 14 . 1 1 81 81 LYS HA H 116 3.828 3.828 4.140 -0.312 18179 8505 1 14 . 1 1 81 81 LYS C C 116 179.118 179.118 176.190 2.928 18179 8506 1 14 . 1 1 81 81 LYS CA C 116 57.957 57.957 55.897 2.060 18179 8507 1 14 . 1 1 81 81 LYS CB C 116 31.273 31.273 31.861 -0.588 18179 8508 1 14 . 1 1 81 81 LYS H H 116 8.873 8.873 8.515 0.358 18179 8509 1 14 . 1 1 82 82 HIS N N 117 116.887 116.887 118.504 -1.617 18179 8510 1 14 . 1 1 82 82 HIS HA H 117 4.290 4.290 4.440 -0.150 18179 8511 1 14 . 1 1 82 82 HIS C C 117 175.622 175.622 177.277 -1.655 18179 8512 1 14 . 1 1 82 82 HIS CA C 117 57.865 57.865 57.971 -0.105 18179 8513 1 14 . 1 1 82 82 HIS CB C 117 27.704 27.704 30.262 -2.558 18179 8514 1 14 . 1 1 82 82 HIS H H 117 8.707 8.707 7.828 0.879 18179 8515 1 14 . 1 1 83 83 LEU N N 118 113.733 113.733 120.498 -6.765 18179 8516 1 14 . 1 1 83 83 LEU HA H 118 4.290 4.290 4.154 0.136 18179 8517 1 14 . 1 1 83 83 LEU C C 118 175.949 175.949 176.752 -0.803 18179 8518 1 14 . 1 1 83 83 LEU CA C 118 53.982 53.982 56.851 -2.869 18179 8519 1 14 . 1 1 83 83 LEU CB C 118 41.734 41.734 42.642 -0.908 18179 8520 1 14 . 1 1 83 83 LEU H H 118 7.332 7.332 8.639 -1.307 18179 8521 1 14 . 1 1 84 84 SER N N 119 111.979 111.979 110.760 1.219 18179 8522 1 14 . 1 1 84 84 SER HA H 119 4.632 4.632 4.878 -0.246 18179 8523 1 14 . 1 1 84 84 SER C C 119 173.830 173.830 172.435 1.395 18179 8524 1 14 . 1 1 84 84 SER CA C 119 55.581 55.581 55.898 -0.317 18179 8525 1 14 . 1 1 84 84 SER CB C 119 62.367 62.367 64.251 -1.884 18179 8526 1 14 . 1 1 84 84 SER H H 119 7.268 7.268 8.148 -0.880 18179 8527 1 14 . 1 1 85 85 PRO HA H 120 4.384 4.384 4.517 -0.133 18179 8528 1 14 . 1 1 85 85 PRO C C 120 177.881 177.881 176.136 1.745 18179 8529 1 14 . 1 1 85 85 PRO CA C 120 65.292 65.292 63.510 1.782 18179 8530 1 14 . 1 1 85 85 PRO CB C 120 31.942 31.942 32.154 -0.212 18179 8531 1 14 . 1 1 86 86 ASP N N 121 117.614 117.614 119.208 -1.594 18179 8532 1 14 . 1 1 86 86 ASP HA H 121 4.960 4.960 4.755 0.205 18179 8533 1 14 . 1 1 86 86 ASP C C 121 174.734 174.734 176.838 -2.104 18179 8534 1 14 . 1 1 86 86 ASP CA C 121 51.999 51.999 54.278 -2.279 18179 8535 1 14 . 1 1 86 86 ASP CB C 121 40.327 40.327 40.196 0.131 18179 8536 1 14 . 1 1 86 86 ASP H H 121 8.882 8.882 8.321 0.561 18179 8537 1 14 . 1 1 87 87 GLY N N 122 106.815 106.815 108.598 -1.783 18179 8538 1 14 . 1 1 87 87 GLY C C 122 173.401 173.401 174.249 -0.848 18179 8539 1 14 . 1 1 87 87 GLY CA C 122 43.814 43.814 45.313 -1.500 18179 8540 1 14 . 1 1 87 87 GLY H H 122 6.973 6.973 7.952 -0.979 18179 8541 1 14 . 1 1 88 88 GLN N N 123 118.319 118.319 118.599 -0.280 18179 8542 1 14 . 1 1 88 88 GLN HA H 123 3.984 3.984 4.375 -0.391 18179 8543 1 14 . 1 1 88 88 GLN C C 123 174.141 174.141 174.746 -0.605 18179 8544 1 14 . 1 1 88 88 GLN CA C 123 54.717 54.717 55.067 -0.350 18179 8545 1 14 . 1 1 88 88 GLN CB C 123 27.267 27.267 29.391 -2.124 18179 8546 1 14 . 1 1 88 88 GLN H H 123 8.224 8.224 8.172 0.052 18179 8547 1 14 . 1 1 89 89 TYR N N 124 117.220 117.220 117.911 -0.691 18179 8548 1 14 . 1 1 89 89 TYR HA H 124 4.596 4.596 4.649 -0.053 18179 8549 1 14 . 1 1 89 89 TYR C C 124 173.402 173.402 174.581 -1.179 18179 8550 1 14 . 1 1 89 89 TYR CA C 124 54.672 54.672 57.398 -2.726 18179 8551 1 14 . 1 1 89 89 TYR CB C 124 38.970 38.970 40.419 -1.450 18179 8552 1 14 . 1 1 89 89 TYR H H 124 5.954 5.954 7.606 -1.652 18179 8553 1 14 . 1 1 90 90 VAL N N 125 109.249 109.249 119.569 -10.320 18179 8554 1 14 . 1 1 90 90 VAL HA H 125 4.572 4.572 4.338 0.234 18179 8555 1 14 . 1 1 90 90 VAL C C 125 173.254 173.254 174.412 -1.158 18179 8556 1 14 . 1 1 90 90 VAL CA C 125 57.982 57.982 59.023 -1.040 18179 8557 1 14 . 1 1 90 90 VAL CB C 125 35.376 35.376 33.558 1.818 18179 8558 1 14 . 1 1 90 90 VAL H H 125 8.303 8.303 8.333 -0.030 18179 8559 1 14 . 1 1 92 92 ARG HA H 127 5.178 5.178 4.674 0.504 18179 8560 1 14 . 1 1 92 92 ARG CA C 127 55.689 55.689 54.224 1.466 18179 8561 1 14 . 1 1 93 93 ILE N N 128 127.696 127.696 122.350 5.346 18179 8562 1 14 . 1 1 93 93 ILE HA H 128 5.088 5.088 4.866 0.222 18179 8563 1 14 . 1 1 93 93 ILE CA C 128 61.063 61.063 59.887 1.176 18179 8564 1 14 . 1 1 93 93 ILE CB C 128 39.101 39.101 38.749 0.352 18179 8565 1 14 . 1 1 93 93 ILE H H 128 9.099 9.099 8.562 0.537 18179 8566 1 14 . 1 1 94 94 MET N N 129 122.683 122.683 127.131 -4.448 18179 8567 1 14 . 1 1 94 94 MET C C 129 174.006 174.006 174.342 -0.336 18179 8568 1 14 . 1 1 94 94 MET CA C 129 51.503 51.503 53.699 -2.196 18179 8569 1 14 . 1 1 94 94 MET CB C 129 34.764 34.764 37.216 -2.452 18179 8570 1 14 . 1 1 94 94 MET H H 129 8.496 8.496 8.193 0.303 18179 8571 1 14 . 1 1 95 95 PHE N N 130 118.014 118.014 122.495 -4.481 18179 8572 1 14 . 1 1 95 95 PHE HA H 130 5.589 5.589 5.790 -0.201 18179 8573 1 14 . 1 1 95 95 PHE C C 130 174.811 174.811 173.552 1.259 18179 8574 1 14 . 1 1 95 95 PHE CA C 130 56.432 56.432 55.221 1.211 18179 8575 1 14 . 1 1 95 95 PHE CB C 130 41.941 41.941 40.859 1.082 18179 8576 1 14 . 1 1 95 95 PHE H H 130 8.573 8.573 8.451 0.122 18179 8577 1 14 . 1 1 96 96 VAL N N 131 122.847 122.847 120.526 2.321 18179 8578 1 14 . 1 1 96 96 VAL HA H 131 4.337 4.337 4.262 0.075 18179 8579 1 14 . 1 1 96 96 VAL C C 131 174.303 174.303 173.396 0.907 18179 8580 1 14 . 1 1 96 96 VAL CA C 131 61.405 61.405 61.322 0.083 18179 8581 1 14 . 1 1 96 96 VAL CB C 131 34.679 34.679 35.908 -1.229 18179 8582 1 14 . 1 1 96 96 VAL H H 131 9.855 9.855 8.881 0.974 18179 8583 1 14 . 1 1 97 97 ASP N N 132 128.042 128.042 121.800 6.242 18179 8584 1 14 . 1 1 97 97 ASP HA H 132 4.883 4.883 5.027 -0.144 18179 8585 1 14 . 1 1 97 97 ASP C C 132 174.958 174.958 174.184 0.774 18179 8586 1 14 . 1 1 97 97 ASP CA C 132 53.082 53.082 51.962 1.120 18179 8587 1 14 . 1 1 97 97 ASP CB C 132 45.484 45.484 43.856 1.628 18179 8588 1 14 . 1 1 97 97 ASP H H 132 8.399 8.399 8.240 0.159 18179 8589 1 14 . 1 1 98 98 PRO HA H 133 4.566 4.566 4.318 0.248 18179 8590 1 14 . 1 1 98 98 PRO C C 133 175.650 175.650 176.984 -1.334 18179 8591 1 14 . 1 1 98 98 PRO CA C 133 65.207 65.207 65.519 -0.312 18179 8592 1 14 . 1 1 98 98 PRO CB C 133 31.858 31.858 31.978 -0.120 18179 8593 1 14 . 1 1 99 99 SER N N 134 111.171 111.171 112.343 -1.172 18179 8594 1 14 . 1 1 99 99 SER HA H 134 4.122 4.122 4.419 -0.297 18179 8595 1 14 . 1 1 99 99 SER C C 134 175.303 175.303 175.862 -0.559 18179 8596 1 14 . 1 1 99 99 SER CA C 134 60.237 60.237 60.443 -0.206 18179 8597 1 14 . 1 1 99 99 SER CB C 134 64.471 64.471 63.863 0.608 18179 8598 1 14 . 1 1 99 99 SER H H 134 8.154 8.154 8.226 -0.072 18179 8599 1 14 . 1 1 100 100 LEU N N 135 118.112 118.112 119.165 -1.053 18179 8600 1 14 . 1 1 100 100 LEU HA H 135 3.683 3.683 4.183 -0.500 18179 8601 1 14 . 1 1 100 100 LEU C C 135 175.886 175.886 176.463 -0.577 18179 8602 1 14 . 1 1 100 100 LEU CA C 135 56.548 56.548 56.230 0.318 18179 8603 1 14 . 1 1 100 100 LEU CB C 135 36.922 36.922 42.660 -5.738 18179 8604 1 14 . 1 1 100 100 LEU H H 135 9.194 9.194 8.930 0.264 18179 8605 1 14 . 1 1 101 101 THR N N 136 116.048 116.048 110.731 5.317 18179 8606 1 14 . 1 1 101 101 THR HA H 136 4.191 4.191 3.993 0.198 18179 8607 1 14 . 1 1 101 101 THR C C 136 173.771 173.771 173.634 0.137 18179 8608 1 14 . 1 1 101 101 THR CA C 136 62.123 62.123 62.786 -0.663 18179 8609 1 14 . 1 1 101 101 THR CB C 136 70.407 70.407 68.485 1.922 18179 8610 1 14 . 1 1 101 101 THR H H 136 7.022 7.022 7.539 -0.517 18179 8611 1 14 . 1 1 102 102 VAL N N 137 129.098 129.098 122.080 7.018 18179 8612 1 14 . 1 1 102 102 VAL HA H 137 3.874 3.874 4.185 -0.311 18179 8613 1 14 . 1 1 102 102 VAL C C 137 177.079 177.079 175.091 1.988 18179 8614 1 14 . 1 1 102 102 VAL CA C 137 64.163 64.163 61.820 2.343 18179 8615 1 14 . 1 1 102 102 VAL CB C 137 31.858 31.858 32.202 -0.344 18179 8616 1 14 . 1 1 102 102 VAL H H 137 9.039 9.039 8.203 0.836 18179 8617 1 14 . 1 1 103 103 ARG N N 138 128.421 128.421 126.946 1.475 18179 8618 1 14 . 1 1 103 103 ARG HA H 138 4.724 4.724 4.537 0.187 18179 8619 1 14 . 1 1 103 103 ARG C C 138 177.315 177.315 176.397 0.918 18179 8620 1 14 . 1 1 103 103 ARG CA C 138 50.845 50.845 54.805 -3.960 18179 8621 1 14 . 1 1 103 103 ARG CB C 138 25.210 25.210 31.658 -6.448 18179 8622 1 14 . 1 1 103 103 ARG H H 138 9.355 9.355 8.870 0.485 18179 8623 1 14 . 1 1 104 104 ALA N N 139 130.638 130.638 129.686 0.952 18179 8624 1 14 . 1 1 104 104 ALA HA H 139 4.128 4.128 3.964 0.164 18179 8625 1 14 . 1 1 104 104 ALA C C 139 170.819 170.819 177.766 -6.947 18179 8626 1 14 . 1 1 104 104 ALA CA C 139 53.517 53.517 53.655 -0.138 18179 8627 1 14 . 1 1 104 104 ALA CB C 139 18.047 18.047 17.667 0.380 18179 8628 1 14 . 1 1 104 104 ALA H H 139 8.340 8.340 9.152 -0.812 18179 8629 1 14 . 1 1 105 105 ASP N N 140 113.599 113.599 116.779 -3.180 18179 8630 1 14 . 1 1 105 105 ASP HA H 140 4.356 4.356 4.300 0.056 18179 8631 1 14 . 1 1 105 105 ASP C C 140 175.173 175.173 176.055 -0.882 18179 8632 1 14 . 1 1 105 105 ASP CA C 140 54.097 54.097 56.511 -2.414 18179 8633 1 14 . 1 1 105 105 ASP CB C 140 39.219 39.219 40.755 -1.536 18179 8634 1 14 . 1 1 105 105 ASP H H 140 9.653 9.653 8.358 1.295 18179 8635 1 14 . 1 1 106 106 ILE N N 141 122.867 122.867 117.841 5.026 18179 8636 1 14 . 1 1 106 106 ILE HA H 141 4.332 4.332 3.847 0.485 18179 8637 1 14 . 1 1 106 106 ILE C C 141 174.778 174.778 175.827 -1.049 18179 8638 1 14 . 1 1 106 106 ILE CA C 141 62.464 62.464 62.004 0.460 18179 8639 1 14 . 1 1 106 106 ILE CB C 141 36.210 36.210 35.158 1.052 18179 8640 1 14 . 1 1 106 106 ILE H H 141 7.541 7.541 8.061 -0.520 18179 8641 1 14 . 1 1 107 107 THR N N 142 117.525 117.525 112.358 5.167 18179 8642 1 14 . 1 1 107 107 THR HA H 142 4.721 4.721 4.300 0.421 18179 8643 1 14 . 1 1 107 107 THR C C 142 175.898 175.898 174.795 1.103 18179 8644 1 14 . 1 1 107 107 THR CA C 142 59.199 59.199 62.608 -3.409 18179 8645 1 14 . 1 1 107 107 THR CB C 142 71.817 71.817 69.984 1.833 18179 8646 1 14 . 1 1 107 107 THR H H 142 7.816 7.816 7.716 0.100 18179 8647 1 14 . 1 1 108 108 GLY N N 143 109.853 109.853 108.820 1.033 18179 8648 1 14 . 1 1 108 108 GLY C C 143 174.389 174.389 173.777 0.612 18179 8649 1 14 . 1 1 108 108 GLY CA C 143 44.291 44.291 45.581 -1.290 18179 8650 1 14 . 1 1 108 108 GLY H H 143 8.891 8.891 8.677 0.214 18179 8651 1 14 . 1 1 109 109 ARG N N 144 116.076 116.076 120.079 -4.003 18179 8652 1 14 . 1 1 109 109 ARG HA H 144 4.006 4.006 4.527 -0.521 18179 8653 1 14 . 1 1 109 109 ARG C C 144 176.521 176.521 175.027 1.494 18179 8654 1 14 . 1 1 109 109 ARG CA C 144 55.989 55.989 55.707 0.282 18179 8655 1 14 . 1 1 109 109 ARG CB C 144 30.851 30.851 31.278 -0.427 18179 8656 1 14 . 1 1 109 109 ARG H H 144 8.108 8.108 8.010 0.098 18179 8657 1 14 . 1 1 110 110 TYR N N 145 123.010 123.010 122.312 0.698 18179 8658 1 14 . 1 1 110 110 TYR HA H 145 4.506 4.506 4.473 0.033 18179 8659 1 14 . 1 1 110 110 TYR C C 145 178.395 178.395 175.848 2.547 18179 8660 1 14 . 1 1 110 110 TYR CA C 145 57.217 57.217 57.770 -0.553 18179 8661 1 14 . 1 1 110 110 TYR CB C 145 37.232 37.232 37.686 -0.454 18179 8662 1 14 . 1 1 110 110 TYR H H 145 8.825 8.825 8.406 0.419 18179 8663 1 14 . 1 1 111 111 SER N N 146 120.152 120.152 118.027 2.125 18179 8664 1 14 . 1 1 111 111 SER HA H 146 3.948 3.948 4.250 -0.302 18179 8665 1 14 . 1 1 111 111 SER C C 146 174.939 174.939 175.598 -0.659 18179 8666 1 14 . 1 1 111 111 SER CA C 146 60.850 60.850 59.674 1.176 18179 8667 1 14 . 1 1 111 111 SER CB C 146 62.776 62.776 63.400 -0.624 18179 8668 1 14 . 1 1 111 111 SER H H 146 8.616 8.616 8.428 0.188 18179 8669 1 14 . 1 1 112 112 ASN N N 147 116.146 116.146 120.090 -3.944 18179 8670 1 14 . 1 1 112 112 ASN HA H 147 4.558 4.558 4.590 -0.032 18179 8671 1 14 . 1 1 112 112 ASN C C 147 173.693 173.693 174.230 -0.537 18179 8672 1 14 . 1 1 112 112 ASN CA C 147 53.209 53.209 52.230 0.979 18179 8673 1 14 . 1 1 112 112 ASN CB C 147 37.534 37.534 37.267 0.267 18179 8674 1 14 . 1 1 112 112 ASN H H 147 8.374 8.374 8.167 0.207 18179 8675 1 14 . 1 1 113 113 ARG N N 148 121.673 121.673 118.622 3.051 18179 8676 1 14 . 1 1 113 113 ARG HA H 148 4.226 4.226 3.987 0.239 18179 8677 1 14 . 1 1 113 113 ARG C C 148 176.358 176.358 176.131 0.227 18179 8678 1 14 . 1 1 113 113 ARG CA C 148 55.251 55.251 56.371 -1.120 18179 8679 1 14 . 1 1 113 113 ARG CB C 148 30.973 30.973 27.020 3.954 18179 8680 1 14 . 1 1 113 113 ARG H H 148 6.782 6.782 7.826 -1.044 18179 8681 1 14 . 1 1 114 114 LEU N N 149 125.966 125.966 124.878 1.088 18179 8682 1 14 . 1 1 114 114 LEU HA H 149 3.776 3.776 4.129 -0.353 18179 8683 1 14 . 1 1 114 114 LEU C C 149 175.787 175.787 177.504 -1.717 18179 8684 1 14 . 1 1 114 114 LEU CA C 149 57.640 57.640 57.264 0.376 18179 8685 1 14 . 1 1 114 114 LEU CB C 149 43.153 43.153 42.626 0.527 18179 8686 1 14 . 1 1 114 114 LEU H H 149 9.976 9.976 8.442 1.534 18179 8687 1 14 . 1 1 115 115 TYR N N 150 115.137 115.137 115.748 -0.611 18179 8688 1 14 . 1 1 115 115 TYR HA H 150 4.947 4.947 4.463 0.484 18179 8689 1 14 . 1 1 115 115 TYR C C 150 174.449 174.449 173.100 1.349 18179 8690 1 14 . 1 1 115 115 TYR CA C 150 55.986 55.986 58.171 -2.185 18179 8691 1 14 . 1 1 115 115 TYR CB C 150 38.660 38.660 39.957 -1.297 18179 8692 1 14 . 1 1 115 115 TYR H H 150 8.272 8.272 7.795 0.477 18179 8693 1 14 . 1 1 116 116 ALA N N 151 121.349 121.349 128.322 -6.973 18179 8694 1 14 . 1 1 116 116 ALA HA H 151 5.086 5.086 4.661 0.425 18179 8695 1 14 . 1 1 116 116 ALA C C 151 177.541 177.541 174.355 3.186 18179 8696 1 14 . 1 1 116 116 ALA CA C 151 51.614 51.614 52.311 -0.697 18179 8697 1 14 . 1 1 116 116 ALA CB C 151 21.262 21.262 20.559 0.703 18179 8698 1 14 . 1 1 116 116 ALA H H 151 7.515 7.515 7.926 -0.411 18179 8699 1 14 . 1 1 117 117 TYR N N 152 115.287 115.287 119.900 -4.613 18179 8700 1 14 . 1 1 117 117 TYR HA H 152 4.693 4.693 4.689 0.004 18179 8701 1 14 . 1 1 117 117 TYR C C 152 173.749 173.749 173.473 0.276 18179 8702 1 14 . 1 1 117 117 TYR CA C 152 58.142 58.142 58.578 -0.436 18179 8703 1 14 . 1 1 117 117 TYR CB C 152 42.827 42.827 39.669 3.158 18179 8704 1 14 . 1 1 117 117 TYR H H 152 6.916 6.916 9.426 -2.510 18179 8705 1 14 . 1 1 118 118 GLU N N 153 122.624 122.624 121.409 1.215 18179 8706 1 14 . 1 1 118 118 GLU HA H 153 4.951 4.951 4.391 0.560 18179 8707 1 14 . 1 1 118 118 GLU C C 153 175.895 175.895 175.483 0.412 18179 8708 1 14 . 1 1 118 118 GLU CA C 153 54.029 54.029 53.426 0.603 18179 8709 1 14 . 1 1 118 118 GLU CB C 153 29.513 29.513 29.951 -0.438 18179 8710 1 14 . 1 1 118 118 GLU H H 153 9.508 9.508 8.224 1.284 18179 8711 1 14 . 1 1 119 119 PRO HA H 154 4.119 4.119 4.275 -0.156 18179 8712 1 14 . 1 1 119 119 PRO C C 154 176.457 176.457 176.887 -0.430 18179 8713 1 14 . 1 1 119 119 PRO CA C 154 66.240 66.240 65.199 1.041 18179 8714 1 14 . 1 1 119 119 PRO CB C 154 31.682 31.682 31.550 0.132 18179 8715 1 14 . 1 1 120 120 ALA N N 155 114.721 114.721 116.614 -1.893 18179 8716 1 14 . 1 1 120 120 ALA HA H 155 4.372 4.372 4.317 0.055 18179 8717 1 14 . 1 1 120 120 ALA C C 155 178.528 178.528 177.634 0.894 18179 8718 1 14 . 1 1 120 120 ALA CA C 155 53.148 53.148 53.061 0.087 18179 8719 1 14 . 1 1 120 120 ALA CB C 155 18.782 18.782 18.776 0.007 18179 8720 1 14 . 1 1 120 120 ALA H H 155 7.697 7.697 7.824 -0.127 18179 8721 1 14 . 1 1 121 121 ASP N N 156 117.502 117.502 119.226 -1.724 18179 8722 1 14 . 1 1 121 121 ASP HA H 156 5.154 5.154 4.854 0.300 18179 8723 1 14 . 1 1 121 121 ASP C C 156 176.756 176.756 176.652 0.104 18179 8724 1 14 . 1 1 121 121 ASP CA C 156 54.742 54.742 54.260 0.482 18179 8725 1 14 . 1 1 121 121 ASP CB C 156 42.326 42.326 41.281 1.045 18179 8726 1 14 . 1 1 121 121 ASP H H 156 8.493 8.493 8.070 0.423 18179 8727 1 14 . 1 1 122 122 THR N N 157 111.372 111.372 112.783 -1.411 18179 8728 1 14 . 1 1 122 122 THR HA H 157 3.738 3.738 4.080 -0.342 18179 8729 1 14 . 1 1 122 122 THR C C 157 176.023 176.023 175.790 0.233 18179 8730 1 14 . 1 1 122 122 THR CA C 157 66.673 66.673 65.391 1.282 18179 8731 1 14 . 1 1 122 122 THR CB C 157 67.967 67.967 68.785 -0.818 18179 8732 1 14 . 1 1 122 122 THR H H 157 7.428 7.428 7.574 -0.146 18179 8733 1 14 . 1 1 123 123 ALA N N 158 123.853 123.853 124.884 -1.031 18179 8734 1 14 . 1 1 123 123 ALA HA H 158 4.133 4.133 4.115 0.018 18179 8735 1 14 . 1 1 123 123 ALA C C 158 179.987 179.987 179.408 0.579 18179 8736 1 14 . 1 1 123 123 ALA CA C 158 55.545 55.545 54.832 0.713 18179 8737 1 14 . 1 1 123 123 ALA CB C 158 17.458 17.458 18.065 -0.607 18179 8738 1 14 . 1 1 123 123 ALA H H 158 8.663 8.663 8.282 0.381 18179 8739 1 14 . 1 1 124 124 LEU N N 159 121.199 121.199 119.814 1.385 18179 8740 1 14 . 1 1 124 124 LEU HA H 159 4.229 4.229 4.044 0.185 18179 8741 1 14 . 1 1 124 124 LEU C C 159 178.342 178.342 178.624 -0.282 18179 8742 1 14 . 1 1 124 124 LEU CA C 159 57.329 57.329 57.459 -0.130 18179 8743 1 14 . 1 1 124 124 LEU CB C 159 41.956 41.956 42.081 -0.125 18179 8744 1 14 . 1 1 124 124 LEU H H 159 7.444 7.444 7.696 -0.252 18179 8745 1 14 . 1 1 125 125 LEU N N 160 119.836 119.836 119.997 -0.161 18179 8746 1 14 . 1 1 125 125 LEU HA H 160 3.963 3.963 3.916 0.047 18179 8747 1 14 . 1 1 125 125 LEU C C 160 178.168 178.168 179.227 -1.059 18179 8748 1 14 . 1 1 125 125 LEU CA C 160 58.475 58.475 58.122 0.353 18179 8749 1 14 . 1 1 125 125 LEU CB C 160 40.915 40.915 41.406 -0.491 18179 8750 1 14 . 1 1 125 125 LEU H H 160 8.430 8.430 7.426 1.004 18179 8751 1 14 . 1 1 126 126 LEU N N 161 120.046 120.046 119.074 0.972 18179 8752 1 14 . 1 1 126 126 LEU HA H 161 4.000 4.000 3.995 0.005 18179 8753 1 14 . 1 1 126 126 LEU C C 161 178.848 178.848 179.370 -0.522 18179 8754 1 14 . 1 1 126 126 LEU CA C 161 58.524 58.524 57.916 0.608 18179 8755 1 14 . 1 1 126 126 LEU CB C 161 42.005 42.005 40.353 1.651 18179 8756 1 14 . 1 1 126 126 LEU H H 161 8.127 8.127 8.572 -0.445 18179 8757 1 14 . 1 1 127 127 ASP N N 162 119.057 119.057 119.898 -0.841 18179 8758 1 14 . 1 1 127 127 ASP HA H 162 4.267 4.267 4.297 -0.030 18179 8759 1 14 . 1 1 127 127 ASP C C 162 179.299 179.299 178.517 0.782 18179 8760 1 14 . 1 1 127 127 ASP CA C 162 57.699 57.699 57.589 0.110 18179 8761 1 14 . 1 1 127 127 ASP CB C 162 40.564 40.564 41.020 -0.457 18179 8762 1 14 . 1 1 127 127 ASP H H 162 7.872 7.872 8.222 -0.350 18179 8763 1 14 . 1 1 128 128 ASN N N 163 122.268 122.268 118.215 4.053 18179 8764 1 14 . 1 1 128 128 ASN HA H 163 4.423 4.423 4.461 -0.038 18179 8765 1 14 . 1 1 128 128 ASN C C 163 177.256 177.256 177.460 -0.204 18179 8766 1 14 . 1 1 128 128 ASN CA C 163 54.502 54.502 55.674 -1.172 18179 8767 1 14 . 1 1 128 128 ASN CB C 163 36.821 36.821 38.581 -1.760 18179 8768 1 14 . 1 1 128 128 ASN H H 163 8.711 8.711 8.327 0.384 18179 8769 1 14 . 1 1 129 129 MET N N 164 122.448 122.448 120.938 1.510 18179 8770 1 14 . 1 1 129 129 MET HA H 164 3.583 3.583 4.027 -0.444 18179 8771 1 14 . 1 1 129 129 MET C C 164 178.272 178.272 178.093 0.179 18179 8772 1 14 . 1 1 129 129 MET CA C 164 59.617 59.617 59.402 0.215 18179 8773 1 14 . 1 1 129 129 MET CB C 164 34.481 34.481 32.818 1.663 18179 8774 1 14 . 1 1 129 129 MET H H 164 8.704 8.704 8.512 0.192 18179 8775 1 14 . 1 1 130 130 LYS N N 165 117.243 117.243 118.468 -1.225 18179 8776 1 14 . 1 1 130 130 LYS HA H 165 3.869 3.869 3.922 -0.053 18179 8777 1 14 . 1 1 130 130 LYS C C 165 180.050 180.050 178.423 1.627 18179 8778 1 14 . 1 1 130 130 LYS CA C 165 60.517 60.517 59.045 1.472 18179 8779 1 14 . 1 1 130 130 LYS CB C 165 31.836 31.836 32.259 -0.423 18179 8780 1 14 . 1 1 130 130 LYS H H 165 7.767 7.767 7.927 -0.160 18179 8781 1 14 . 1 1 131 131 LYS N N 166 120.486 120.486 116.702 3.784 18179 8782 1 14 . 1 1 131 131 LYS HA H 166 3.853 3.853 4.092 -0.239 18179 8783 1 14 . 1 1 131 131 LYS C C 166 179.232 179.232 176.862 2.370 18179 8784 1 14 . 1 1 131 131 LYS CA C 166 60.171 60.171 58.145 2.026 18179 8785 1 14 . 1 1 131 131 LYS CB C 166 32.783 32.783 32.662 0.121 18179 8786 1 14 . 1 1 131 131 LYS H H 166 7.914 7.914 7.650 0.264 18179 8787 1 14 . 1 1 132 132 ALA N N 167 122.426 122.426 120.047 2.379 18179 8788 1 14 . 1 1 132 132 ALA HA H 167 3.625 3.625 2.895 0.730 18179 8789 1 14 . 1 1 132 132 ALA C C 167 177.616 177.616 178.729 -1.113 18179 8790 1 14 . 1 1 132 132 ALA CA C 167 54.246 54.246 53.274 0.972 18179 8791 1 14 . 1 1 132 132 ALA CB C 167 18.261 18.261 18.584 -0.323 18179 8792 1 14 . 1 1 132 132 ALA H H 167 7.801 7.801 7.258 0.543 18179 8793 1 14 . 1 1 133 133 LEU N N 168 113.735 113.735 117.551 -3.816 18179 8794 1 14 . 1 1 133 133 LEU HA H 168 3.747 3.747 4.131 -0.384 18179 8795 1 14 . 1 1 133 133 LEU C C 168 177.322 177.322 176.351 0.971 18179 8796 1 14 . 1 1 133 133 LEU CA C 168 55.892 55.892 55.876 0.016 18179 8797 1 14 . 1 1 133 133 LEU CB C 168 42.159 42.159 42.372 -0.213 18179 8798 1 14 . 1 1 133 133 LEU H H 168 7.010 7.010 7.480 -0.470 18179 8799 1 14 . 1 1 134 134 LYS N N 169 123.034 123.034 119.334 3.700 18179 8800 1 14 . 1 1 134 134 LYS HA H 169 4.331 4.331 4.408 -0.077 18179 8801 1 14 . 1 1 134 134 LYS C C 169 174.307 174.307 174.952 -0.645 18179 8802 1 14 . 1 1 134 134 LYS CA C 169 55.382 55.382 54.100 1.282 18179 8803 1 14 . 1 1 134 134 LYS CB C 169 29.718 29.718 31.053 -1.335 18179 8804 1 14 . 1 1 134 134 LYS H H 169 7.202 7.202 7.303 -0.101 18179 8805 1 14 . 1 1 135 135 LEU N N 170 120.490 120.490 122.990 -2.500 18179 8806 1 14 . 1 1 135 135 LEU HA H 170 3.980 3.980 4.186 -0.206 18179 8807 1 14 . 1 1 135 135 LEU C C 170 178.427 178.427 177.157 1.270 18179 8808 1 14 . 1 1 135 135 LEU CA C 170 54.884 54.884 55.199 -0.315 18179 8809 1 14 . 1 1 135 135 LEU CB C 170 40.903 40.903 40.771 0.132 18179 8810 1 14 . 1 1 135 135 LEU H H 170 7.334 7.334 8.147 -0.813 18179 8811 1 14 . 1 1 136 136 LEU N N 171 120.084 120.084 123.964 -3.880 18179 8812 1 14 . 1 1 136 136 LEU HA H 171 4.040 4.040 4.083 -0.043 18179 8813 1 14 . 1 1 136 136 LEU C C 171 178.231 178.231 175.662 2.569 18179 8814 1 14 . 1 1 136 136 LEU CA C 171 55.750 55.750 55.177 0.573 18179 8815 1 14 . 1 1 136 136 LEU CB C 171 41.734 41.734 43.358 -1.625 18179 8816 1 14 . 1 1 136 136 LEU H H 171 8.614 8.614 8.022 0.592 18179 8817 1 14 . 1 1 137 137 LYS N N 172 121.059 121.059 126.592 -5.533 18179 8818 1 14 . 1 1 137 137 LYS HA H 172 4.333 4.333 4.237 0.096 18179 8819 1 14 . 1 1 137 137 LYS C C 172 174.388 174.388 175.622 -1.234 18179 8820 1 14 . 1 1 137 137 LYS CA C 172 55.903 55.903 56.564 -0.661 18179 8821 1 14 . 1 1 137 137 LYS CB C 172 32.681 32.681 32.288 0.394 18179 8822 1 14 . 1 1 137 137 LYS H H 172 8.468 8.468 8.529 -0.061 18179 8823 1 14 . 1 1 138 138 THR N N 173 116.267 116.267 122.790 -6.523 18179 8824 1 14 . 1 1 138 138 THR HA H 173 4.261 4.261 4.553 -0.292 18179 8825 1 14 . 1 1 138 138 THR C C 173 174.267 174.267 173.538 0.729 18179 8826 1 14 . 1 1 138 138 THR CA C 173 61.867 61.867 61.478 0.389 18179 8827 1 14 . 1 1 138 138 THR CB C 173 69.848 69.848 70.120 -0.272 18179 8828 1 14 . 1 1 138 138 THR H H 173 8.095 8.095 8.247 -0.152 18179 8829 1 14 . 1 1 139 139 GLU N N 174 123.648 123.648 127.355 -3.707 18179 8830 1 14 . 1 1 139 139 GLU HA H 174 4.288 4.288 4.711 -0.423 18179 8831 1 14 . 1 1 139 139 GLU C C 174 175.178 175.178 176.249 -1.071 18179 8832 1 14 . 1 1 139 139 GLU CA C 174 56.205 56.205 55.287 0.918 18179 8833 1 14 . 1 1 139 139 GLU CB C 174 30.353 30.353 30.428 -0.075 18179 8834 1 14 . 1 1 139 139 GLU H H 174 8.293 8.293 8.823 -0.530 18179 8835 1 15 . 1 1 17 17 LEU N N 52 120.529 120.529 123.147 -2.618 18179 8836 1 15 . 1 1 17 17 LEU HA H 52 4.317 4.317 4.873 -0.556 18179 8837 1 15 . 1 1 17 17 LEU CA C 52 53.456 53.456 54.144 -0.688 18179 8838 1 15 . 1 1 17 17 LEU CB C 52 42.494 42.494 44.078 -1.584 18179 8839 1 15 . 1 1 17 17 LEU H H 52 7.103 7.103 8.493 -1.390 18179 8840 1 15 . 1 1 18 18 ILE CB C 53 36.458 36.458 36.560 -0.102 18179 8841 1 15 . 1 1 23 23 TYR HA H 58 4.359 4.359 4.159 0.200 18179 8842 1 15 . 1 1 23 23 TYR C C 58 176.387 176.387 178.191 -1.804 18179 8843 1 15 . 1 1 23 23 TYR CA C 58 59.597 59.597 63.358 -3.761 18179 8844 1 15 . 1 1 23 23 TYR CB C 58 38.572 38.572 37.843 0.729 18179 8845 1 15 . 1 1 24 24 GLU N N 59 117.335 117.335 118.175 -0.840 18179 8846 1 15 . 1 1 24 24 GLU CA C 59 60.871 60.871 59.550 1.321 18179 8847 1 15 . 1 1 24 24 GLU CB C 59 28.494 28.494 28.611 -0.117 18179 8848 1 15 . 1 1 24 24 GLU H H 59 9.191 9.191 8.786 0.405 18179 8849 1 15 . 1 1 25 25 ALA N N 60 120.861 120.861 121.511 -0.650 18179 8850 1 15 . 1 1 25 25 ALA CA C 60 54.555 54.555 54.590 -0.035 18179 8851 1 15 . 1 1 25 25 ALA CB C 60 18.528 18.528 18.207 0.321 18179 8852 1 15 . 1 1 25 25 ALA H H 60 7.688 7.688 7.421 0.267 18179 8853 1 15 . 1 1 26 26 ALA N N 61 123.402 123.402 122.034 1.368 18179 8854 1 15 . 1 1 26 26 ALA HA H 61 3.900 3.900 4.089 -0.189 18179 8855 1 15 . 1 1 26 26 ALA CA C 61 55.346 55.346 54.917 0.429 18179 8856 1 15 . 1 1 26 26 ALA CB C 61 19.104 19.104 18.121 0.983 18179 8857 1 15 . 1 1 26 26 ALA H H 61 8.225 8.225 8.168 0.057 18179 8858 1 15 . 1 1 27 27 LEU N N 62 118.742 118.742 119.277 -0.535 18179 8859 1 15 . 1 1 27 27 LEU HA H 62 3.700 3.700 4.066 -0.366 18179 8860 1 15 . 1 1 27 27 LEU C C 62 171.911 171.911 179.337 -7.426 18179 8861 1 15 . 1 1 27 27 LEU CA C 62 57.654 57.654 57.705 -0.051 18179 8862 1 15 . 1 1 27 27 LEU CB C 62 41.905 41.905 41.753 0.152 18179 8863 1 15 . 1 1 27 27 LEU H H 62 8.336 8.336 7.778 0.558 18179 8864 1 15 . 1 1 28 28 TYR N N 63 117.594 117.594 119.552 -1.958 18179 8865 1 15 . 1 1 28 28 TYR HA H 63 4.007 4.007 4.143 -0.136 18179 8866 1 15 . 1 1 28 28 TYR C C 63 179.075 179.075 177.584 1.491 18179 8867 1 15 . 1 1 28 28 TYR CA C 63 61.769 61.769 61.944 -0.175 18179 8868 1 15 . 1 1 28 28 TYR CB C 63 38.071 38.071 38.598 -0.527 18179 8869 1 15 . 1 1 28 28 TYR H H 63 7.279 7.279 7.552 -0.273 18179 8870 1 15 . 1 1 29 29 LYS N N 64 121.077 121.077 120.282 0.795 18179 8871 1 15 . 1 1 29 29 LYS HA H 64 3.663 3.663 4.094 -0.431 18179 8872 1 15 . 1 1 29 29 LYS C C 64 176.394 176.394 178.845 -2.451 18179 8873 1 15 . 1 1 29 29 LYS CA C 64 59.230 59.230 58.020 1.210 18179 8874 1 15 . 1 1 29 29 LYS CB C 64 32.573 32.573 32.196 0.377 18179 8875 1 15 . 1 1 29 29 LYS H H 64 8.472 8.472 8.235 0.237 18179 8876 1 15 . 1 1 30 30 SER N N 65 117.933 117.933 114.511 3.422 18179 8877 1 15 . 1 1 30 30 SER HA H 65 4.160 4.160 4.256 -0.096 18179 8878 1 15 . 1 1 30 30 SER C C 65 176.518 176.518 176.398 0.120 18179 8879 1 15 . 1 1 30 30 SER CA C 65 61.706 61.706 62.091 -0.385 18179 8880 1 15 . 1 1 30 30 SER CB C 65 64.022 64.022 62.767 1.256 18179 8881 1 15 . 1 1 30 30 SER H H 65 8.500 8.500 8.527 -0.027 18179 8882 1 15 . 1 1 31 31 LYS N N 66 117.248 117.248 121.670 -4.422 18179 8883 1 15 . 1 1 31 31 LYS HA H 66 4.301 4.301 4.246 0.055 18179 8884 1 15 . 1 1 31 31 LYS C C 66 179.721 179.721 178.251 1.470 18179 8885 1 15 . 1 1 31 31 LYS CA C 66 59.165 59.165 57.754 1.411 18179 8886 1 15 . 1 1 31 31 LYS CB C 66 32.372 32.372 31.861 0.511 18179 8887 1 15 . 1 1 31 31 LYS H H 66 8.020 8.020 7.644 0.376 18179 8888 1 15 . 1 1 32 32 THR N N 67 109.772 109.772 114.052 -4.280 18179 8889 1 15 . 1 1 32 32 THR HA H 67 3.883 3.883 4.078 -0.195 18179 8890 1 15 . 1 1 32 32 THR C C 67 176.237 176.237 175.958 0.279 18179 8891 1 15 . 1 1 32 32 THR CA C 67 64.813 64.813 64.680 0.133 18179 8892 1 15 . 1 1 32 32 THR CB C 67 69.445 69.445 69.155 0.290 18179 8893 1 15 . 1 1 32 32 THR H H 67 7.844 7.844 7.510 0.334 18179 8894 1 15 . 1 1 33 33 SER N N 68 115.610 115.610 115.454 0.156 18179 8895 1 15 . 1 1 33 33 SER HA H 68 4.369 4.369 4.562 -0.193 18179 8896 1 15 . 1 1 33 33 SER C C 68 174.628 174.628 174.118 0.510 18179 8897 1 15 . 1 1 33 33 SER CA C 68 59.242 59.242 58.395 0.848 18179 8898 1 15 . 1 1 33 33 SER CB C 68 65.166 65.166 63.880 1.286 18179 8899 1 15 . 1 1 33 33 SER H H 68 8.047 8.047 7.553 0.494 18179 8900 1 15 . 1 1 34 34 ASN N N 69 110.215 110.215 118.516 -8.301 18179 8901 1 15 . 1 1 34 34 ASN HA H 69 4.181 4.181 4.480 -0.299 18179 8902 1 15 . 1 1 34 34 ASN C C 69 173.253 173.253 173.701 -0.448 18179 8903 1 15 . 1 1 34 34 ASN CA C 69 54.302 54.302 54.444 -0.142 18179 8904 1 15 . 1 1 34 34 ASN CB C 69 38.506 38.506 37.647 0.859 18179 8905 1 15 . 1 1 34 34 ASN H H 69 8.061 8.061 7.708 0.353 18179 8906 1 15 . 1 1 35 35 LYS N N 70 117.312 117.312 117.825 -0.513 18179 8907 1 15 . 1 1 35 35 LYS HA H 70 4.676 4.676 4.881 -0.205 18179 8908 1 15 . 1 1 35 35 LYS CA C 70 53.385 53.385 53.579 -0.194 18179 8909 1 15 . 1 1 35 35 LYS CB C 70 34.049 34.049 34.477 -0.428 18179 8910 1 15 . 1 1 35 35 LYS H H 70 7.589 7.589 8.155 -0.566 18179 8911 1 15 . 1 1 36 36 PRO HA H 71 4.371 4.371 4.274 0.097 18179 8912 1 15 . 1 1 36 36 PRO C C 71 172.189 172.189 176.021 -3.832 18179 8913 1 15 . 1 1 36 36 PRO CA C 71 62.356 62.356 62.947 -0.591 18179 8914 1 15 . 1 1 36 36 PRO CB C 71 31.785 31.785 31.874 -0.089 18179 8915 1 15 . 1 1 37 37 LEU N N 72 122.894 122.894 116.120 6.774 18179 8916 1 15 . 1 1 37 37 LEU HA H 72 5.392 5.392 4.787 0.605 18179 8917 1 15 . 1 1 37 37 LEU C C 72 174.422 174.422 175.260 -0.838 18179 8918 1 15 . 1 1 37 37 LEU CA C 72 52.656 52.656 53.484 -0.828 18179 8919 1 15 . 1 1 37 37 LEU CB C 72 45.220 45.220 43.953 1.268 18179 8920 1 15 . 1 1 37 37 LEU H H 72 8.936 8.936 8.267 0.669 18179 8921 1 15 . 1 1 38 38 MET N N 73 128.922 128.922 123.052 5.870 18179 8922 1 15 . 1 1 38 38 MET C C 73 172.488 172.488 175.706 -3.218 18179 8923 1 15 . 1 1 38 38 MET CA C 73 54.806 54.806 55.488 -0.682 18179 8924 1 15 . 1 1 38 38 MET CB C 73 35.127 35.127 33.302 1.825 18179 8925 1 15 . 1 1 38 38 MET H H 73 8.965 8.965 8.436 0.529 18179 8926 1 15 . 1 1 39 39 ILE N N 74 124.016 124.016 126.451 -2.435 18179 8927 1 15 . 1 1 39 39 ILE HA H 74 4.819 4.819 4.295 0.524 18179 8928 1 15 . 1 1 39 39 ILE C C 74 175.018 175.018 174.561 0.457 18179 8929 1 15 . 1 1 39 39 ILE CA C 74 59.688 59.688 60.736 -1.048 18179 8930 1 15 . 1 1 39 39 ILE CB C 74 40.407 40.407 38.618 1.788 18179 8931 1 15 . 1 1 39 39 ILE H H 74 8.727 8.727 8.809 -0.082 18179 8932 1 15 . 1 1 40 40 ILE N N 75 126.837 126.837 128.285 -1.448 18179 8933 1 15 . 1 1 40 40 ILE HA H 75 4.038 4.038 4.931 -0.893 18179 8934 1 15 . 1 1 40 40 ILE C C 75 175.282 175.282 174.732 0.550 18179 8935 1 15 . 1 1 40 40 ILE CA C 75 60.408 60.408 60.080 0.328 18179 8936 1 15 . 1 1 40 40 ILE CB C 75 40.028 40.028 39.378 0.650 18179 8937 1 15 . 1 1 40 40 ILE H H 75 8.587 8.587 8.536 0.051 18179 8938 1 15 . 1 1 41 41 HIS N N 76 128.633 128.633 124.293 4.340 18179 8939 1 15 . 1 1 41 41 HIS CA C 76 56.453 56.453 53.621 2.832 18179 8940 1 15 . 1 1 41 41 HIS CB C 76 29.368 29.368 32.160 -2.792 18179 8941 1 15 . 1 1 41 41 HIS H H 76 9.145 9.145 8.304 0.841 18179 8942 1 15 . 1 1 42 42 HIS HA H 77 4.822 4.822 4.809 0.013 18179 8943 1 15 . 1 1 42 42 HIS C C 77 170.942 170.942 173.094 -2.152 18179 8944 1 15 . 1 1 42 42 HIS CA C 77 54.441 54.441 54.199 0.242 18179 8945 1 15 . 1 1 42 42 HIS CB C 77 34.768 34.768 31.874 2.894 18179 8946 1 15 . 1 1 43 43 LEU N N 78 114.526 114.526 118.863 -4.337 18179 8947 1 15 . 1 1 43 43 LEU HA H 78 4.540 4.540 4.684 -0.144 18179 8948 1 15 . 1 1 43 43 LEU C C 78 177.855 177.855 178.440 -0.585 18179 8949 1 15 . 1 1 43 43 LEU CA C 78 54.020 54.020 54.037 -0.017 18179 8950 1 15 . 1 1 43 43 LEU CB C 78 46.643 46.643 43.556 3.087 18179 8951 1 15 . 1 1 43 43 LEU H H 78 7.077 7.077 8.360 -1.283 18179 8952 1 15 . 1 1 44 44 ASP N N 79 123.675 123.675 123.349 0.326 18179 8953 1 15 . 1 1 44 44 ASP HA H 79 4.452 4.452 4.547 -0.095 18179 8954 1 15 . 1 1 44 44 ASP C C 79 177.872 177.872 176.734 1.138 18179 8955 1 15 . 1 1 44 44 ASP CA C 79 57.458 57.458 56.412 1.046 18179 8956 1 15 . 1 1 44 44 ASP CB C 79 40.739 40.739 41.206 -0.467 18179 8957 1 15 . 1 1 44 44 ASP H H 79 8.783 8.783 8.836 -0.053 18179 8958 1 15 . 1 1 45 45 GLU N N 80 115.578 115.578 118.871 -3.293 18179 8959 1 15 . 1 1 45 45 GLU HA H 80 4.156 4.156 4.272 -0.116 18179 8960 1 15 . 1 1 45 45 GLU C C 80 175.108 175.108 175.799 -0.691 18179 8961 1 15 . 1 1 45 45 GLU CA C 80 56.661 56.661 55.955 0.706 18179 8962 1 15 . 1 1 45 45 GLU CB C 80 28.604 28.604 30.031 -1.427 18179 8963 1 15 . 1 1 45 45 GLU H H 80 9.146 9.146 8.824 0.322 18179 8964 1 15 . 1 1 46 46 CYS N N 81 125.642 125.642 119.637 6.005 18179 8965 1 15 . 1 1 46 46 CYS HA H 81 4.814 4.814 4.736 0.078 18179 8966 1 15 . 1 1 46 46 CYS C C 81 175.453 175.453 173.107 2.346 18179 8967 1 15 . 1 1 46 46 CYS CA C 81 56.298 56.298 55.509 0.789 18179 8968 1 15 . 1 1 46 46 CYS CB C 81 30.378 30.378 28.450 1.928 18179 8969 1 15 . 1 1 46 46 CYS H H 81 7.146 7.146 7.474 -0.328 18179 8970 1 15 . 1 1 47 47 PRO HA H 82 4.311 4.311 4.262 0.049 18179 8971 1 15 . 1 1 47 47 PRO CA C 82 64.536 64.536 63.334 1.202 18179 8972 1 15 . 1 1 47 47 PRO CB C 82 32.069 32.069 31.977 0.092 18179 8973 1 15 . 1 1 48 48 HIS N N 83 124.416 124.416 122.537 1.879 18179 8974 1 15 . 1 1 48 48 HIS HA H 83 4.511 4.511 4.243 0.268 18179 8975 1 15 . 1 1 48 48 HIS C C 83 178.820 178.820 177.018 1.802 18179 8976 1 15 . 1 1 48 48 HIS CA C 83 59.042 59.042 56.819 2.223 18179 8977 1 15 . 1 1 48 48 HIS CB C 83 28.921 28.921 29.740 -0.819 18179 8978 1 15 . 1 1 48 48 HIS H H 83 8.936 8.936 8.533 0.403 18179 8979 1 15 . 1 1 49 49 SER N N 84 129.973 129.973 119.192 10.781 18179 8980 1 15 . 1 1 49 49 SER HA H 84 4.152 4.152 3.997 0.155 18179 8981 1 15 . 1 1 49 49 SER C C 84 175.397 175.397 175.778 -0.381 18179 8982 1 15 . 1 1 49 49 SER CA C 84 63.873 63.873 61.434 2.439 18179 8983 1 15 . 1 1 49 49 SER CB C 84 65.516 65.516 62.645 2.871 18179 8984 1 15 . 1 1 49 49 SER H H 84 11.408 11.408 8.756 2.652 18179 8985 1 15 . 1 1 50 50 GLN N N 85 118.214 118.214 120.165 -1.951 18179 8986 1 15 . 1 1 50 50 GLN HA H 85 3.701 3.701 4.065 -0.364 18179 8987 1 15 . 1 1 50 50 GLN C C 85 178.213 178.213 177.851 0.362 18179 8988 1 15 . 1 1 50 50 GLN CA C 85 58.201 58.201 58.381 -0.180 18179 8989 1 15 . 1 1 50 50 GLN CB C 85 27.294 27.294 27.902 -0.608 18179 8990 1 15 . 1 1 50 50 GLN H H 85 8.192 8.192 8.133 0.059 18179 8991 1 15 . 1 1 51 51 ALA N N 86 121.790 121.790 122.625 -0.835 18179 8992 1 15 . 1 1 51 51 ALA HA H 86 4.099 4.099 4.096 0.003 18179 8993 1 15 . 1 1 51 51 ALA C C 86 180.512 180.512 179.344 1.168 18179 8994 1 15 . 1 1 51 51 ALA CA C 86 54.742 54.742 54.721 0.021 18179 8995 1 15 . 1 1 51 51 ALA CB C 86 18.559 18.559 18.330 0.229 18179 8996 1 15 . 1 1 51 51 ALA H H 86 7.748 7.748 8.398 -0.650 18179 8997 1 15 . 1 1 52 52 LEU N N 87 118.528 118.528 119.080 -0.552 18179 8998 1 15 . 1 1 52 52 LEU HA H 87 4.076 4.076 4.073 0.003 18179 8999 1 15 . 1 1 52 52 LEU CA C 87 57.266 57.266 56.871 0.395 18179 9000 1 15 . 1 1 52 52 LEU CB C 87 41.947 41.947 41.899 0.048 18179 9001 1 15 . 1 1 52 52 LEU H H 87 7.918 7.918 7.588 0.330 18179 9002 1 15 . 1 1 53 53 LYS N N 88 120.398 120.398 119.079 1.319 18179 9003 1 15 . 1 1 53 53 LYS H H 88 7.932 7.932 8.317 -0.385 18179 9004 1 15 . 1 1 54 54 LYS N N 89 115.219 115.219 118.847 -3.628 18179 9005 1 15 . 1 1 54 54 LYS HA H 89 3.790 3.790 4.118 -0.328 18179 9006 1 15 . 1 1 54 54 LYS C C 89 178.614 178.614 178.523 0.091 18179 9007 1 15 . 1 1 54 54 LYS CA C 89 59.308 59.308 59.453 -0.145 18179 9008 1 15 . 1 1 54 54 LYS CB C 89 32.530 32.530 32.470 0.060 18179 9009 1 15 . 1 1 54 54 LYS H H 89 6.889 6.889 7.687 -0.798 18179 9010 1 15 . 1 1 55 55 VAL N N 90 110.991 110.991 117.111 -6.120 18179 9011 1 15 . 1 1 55 55 VAL HA H 90 4.049 4.049 3.927 0.122 18179 9012 1 15 . 1 1 55 55 VAL C C 90 178.054 178.054 177.431 0.623 18179 9013 1 15 . 1 1 55 55 VAL CA C 90 64.467 64.467 65.372 -0.905 18179 9014 1 15 . 1 1 55 55 VAL CB C 90 31.625 31.625 30.896 0.729 18179 9015 1 15 . 1 1 55 55 VAL H H 90 6.748 6.748 7.562 -0.814 18179 9016 1 15 . 1 1 56 56 PHE N N 91 124.010 124.010 121.194 2.816 18179 9017 1 15 . 1 1 56 56 PHE HA H 91 3.829 3.829 4.321 -0.492 18179 9018 1 15 . 1 1 56 56 PHE C C 91 177.496 177.496 177.324 0.172 18179 9019 1 15 . 1 1 56 56 PHE CA C 91 61.854 61.854 60.621 1.233 18179 9020 1 15 . 1 1 56 56 PHE CB C 91 41.828 41.828 37.571 4.257 18179 9021 1 15 . 1 1 56 56 PHE H H 91 8.722 8.722 7.677 1.045 18179 9022 1 15 . 1 1 57 57 ALA N N 92 118.444 118.444 120.066 -1.622 18179 9023 1 15 . 1 1 57 57 ALA HA H 92 4.185 4.185 4.094 0.091 18179 9024 1 15 . 1 1 57 57 ALA C C 92 180.660 180.660 178.763 1.897 18179 9025 1 15 . 1 1 57 57 ALA CA C 92 54.288 54.288 54.546 -0.258 18179 9026 1 15 . 1 1 57 57 ALA CB C 92 18.487 18.487 18.339 0.148 18179 9027 1 15 . 1 1 57 57 ALA H H 92 8.695 8.695 7.708 0.987 18179 9028 1 15 . 1 1 58 58 GLU N N 93 112.263 112.263 117.993 -5.730 18179 9029 1 15 . 1 1 58 58 GLU HA H 93 4.156 4.156 4.178 -0.022 18179 9030 1 15 . 1 1 58 58 GLU C C 93 175.641 175.641 176.989 -1.348 18179 9031 1 15 . 1 1 58 58 GLU CA C 93 55.883 55.883 57.931 -2.048 18179 9032 1 15 . 1 1 58 58 GLU CB C 93 30.495 30.495 30.397 0.098 18179 9033 1 15 . 1 1 58 58 GLU H H 93 7.108 7.108 7.758 -0.650 18179 9034 1 15 . 1 1 59 59 ASN N N 94 120.422 120.422 118.834 1.588 18179 9035 1 15 . 1 1 59 59 ASN HA H 94 4.590 4.590 4.942 -0.352 18179 9036 1 15 . 1 1 59 59 ASN C C 94 174.151 174.151 175.229 -1.078 18179 9037 1 15 . 1 1 59 59 ASN CA C 94 54.056 54.056 52.430 1.626 18179 9038 1 15 . 1 1 59 59 ASN CB C 94 38.723 38.723 38.899 -0.176 18179 9039 1 15 . 1 1 59 59 ASN H H 94 7.269 7.269 8.127 -0.858 18179 9040 1 15 . 1 1 60 60 LYS N N 95 127.497 127.497 122.458 5.039 18179 9041 1 15 . 1 1 60 60 LYS HA H 95 3.770 3.770 3.984 -0.214 18179 9042 1 15 . 1 1 60 60 LYS C C 95 178.959 178.959 177.284 1.675 18179 9043 1 15 . 1 1 60 60 LYS CA C 95 59.337 59.337 59.618 -0.281 18179 9044 1 15 . 1 1 60 60 LYS CB C 95 32.170 32.170 32.468 -0.298 18179 9045 1 15 . 1 1 60 60 LYS H H 95 8.672 8.672 8.559 0.113 18179 9046 1 15 . 1 1 61 61 GLU N N 96 119.409 119.409 118.548 0.861 18179 9047 1 15 . 1 1 61 61 GLU HA H 96 3.984 3.984 4.172 -0.188 18179 9048 1 15 . 1 1 61 61 GLU C C 96 179.574 179.574 178.509 1.065 18179 9049 1 15 . 1 1 61 61 GLU CA C 96 59.955 59.955 58.671 1.284 18179 9050 1 15 . 1 1 61 61 GLU CB C 96 29.246 29.246 29.262 -0.017 18179 9051 1 15 . 1 1 61 61 GLU H H 96 7.988 7.988 8.150 -0.162 18179 9052 1 15 . 1 1 62 62 ILE N N 97 122.621 122.621 119.508 3.113 18179 9053 1 15 . 1 1 62 62 ILE HA H 97 3.224 3.224 3.503 -0.279 18179 9054 1 15 . 1 1 62 62 ILE C C 97 177.158 177.158 177.390 -0.232 18179 9055 1 15 . 1 1 62 62 ILE CA C 97 65.787 65.787 64.714 1.073 18179 9056 1 15 . 1 1 62 62 ILE CB C 97 37.710 37.710 37.688 0.022 18179 9057 1 15 . 1 1 62 62 ILE H H 97 8.484 8.484 7.880 0.604 18179 9058 1 15 . 1 1 63 63 GLN N N 98 115.619 115.619 118.543 -2.924 18179 9059 1 15 . 1 1 63 63 GLN HA H 98 3.481 3.481 4.213 -0.732 18179 9060 1 15 . 1 1 63 63 GLN C C 98 178.097 178.097 178.088 0.009 18179 9061 1 15 . 1 1 63 63 GLN CA C 98 58.601 58.601 58.783 -0.182 18179 9062 1 15 . 1 1 63 63 GLN CB C 98 28.834 28.834 28.304 0.530 18179 9063 1 15 . 1 1 63 63 GLN H H 98 8.046 8.046 7.709 0.337 18179 9064 1 15 . 1 1 64 64 LYS N N 99 116.464 116.464 121.111 -4.647 18179 9065 1 15 . 1 1 64 64 LYS HA H 99 4.125 4.125 4.239 -0.114 18179 9066 1 15 . 1 1 64 64 LYS C C 99 179.740 179.740 178.647 1.093 18179 9067 1 15 . 1 1 64 64 LYS CA C 99 57.955 57.955 58.538 -0.584 18179 9068 1 15 . 1 1 64 64 LYS CB C 99 32.054 32.054 31.902 0.152 18179 9069 1 15 . 1 1 64 64 LYS H H 99 7.578 7.578 7.696 -0.118 18179 9070 1 15 . 1 1 65 65 LEU N N 100 122.576 122.576 116.400 6.176 18179 9071 1 15 . 1 1 65 65 LEU HA H 100 4.128 4.128 4.245 -0.117 18179 9072 1 15 . 1 1 65 65 LEU C C 100 178.481 178.481 178.480 0.001 18179 9073 1 15 . 1 1 65 65 LEU CA C 100 57.044 57.044 57.175 -0.131 18179 9074 1 15 . 1 1 65 65 LEU CB C 100 41.883 41.883 41.653 0.230 18179 9075 1 15 . 1 1 65 65 LEU H H 100 7.916 7.916 7.573 0.343 18179 9076 1 15 . 1 1 66 66 ALA N N 101 119.534 119.534 122.082 -2.548 18179 9077 1 15 . 1 1 66 66 ALA HA H 101 3.810 3.810 4.351 -0.541 18179 9078 1 15 . 1 1 66 66 ALA C C 101 177.520 177.520 179.482 -1.962 18179 9079 1 15 . 1 1 66 66 ALA CA C 101 54.772 54.772 54.277 0.495 18179 9080 1 15 . 1 1 66 66 ALA CB C 101 17.737 17.737 19.130 -1.393 18179 9081 1 15 . 1 1 66 66 ALA H H 101 8.511 8.511 7.647 0.864 18179 9082 1 15 . 1 1 67 67 GLU N N 102 113.081 113.081 116.973 -3.892 18179 9083 1 15 . 1 1 67 67 GLU HA H 102 4.113 4.113 4.038 0.075 18179 9084 1 15 . 1 1 67 67 GLU C C 102 178.295 178.295 177.435 0.860 18179 9085 1 15 . 1 1 67 67 GLU CA C 102 58.285 58.285 58.393 -0.108 18179 9086 1 15 . 1 1 67 67 GLU CB C 102 29.952 29.952 29.299 0.653 18179 9087 1 15 . 1 1 67 67 GLU H H 102 7.039 7.039 8.455 -1.416 18179 9088 1 15 . 1 1 68 68 GLN N N 103 116.244 116.244 116.833 -0.589 18179 9089 1 15 . 1 1 68 68 GLN HA H 103 4.107 4.107 4.157 -0.050 18179 9090 1 15 . 1 1 68 68 GLN C C 103 173.173 173.173 174.606 -1.433 18179 9091 1 15 . 1 1 68 68 GLN CA C 103 56.094 56.094 56.429 -0.335 18179 9092 1 15 . 1 1 68 68 GLN CB C 103 28.703 28.703 29.794 -1.091 18179 9093 1 15 . 1 1 68 68 GLN H H 103 8.167 8.167 7.532 0.635 18179 9094 1 15 . 1 1 69 69 PHE N N 104 116.822 116.822 116.191 0.631 18179 9095 1 15 . 1 1 69 69 PHE HA H 104 4.645 4.645 4.784 -0.139 18179 9096 1 15 . 1 1 69 69 PHE C C 104 177.346 177.346 175.453 1.893 18179 9097 1 15 . 1 1 69 69 PHE CA C 104 57.254 57.254 56.510 0.744 18179 9098 1 15 . 1 1 69 69 PHE CB C 104 40.897 40.897 41.870 -0.973 18179 9099 1 15 . 1 1 69 69 PHE H H 104 7.633 7.633 7.146 0.487 18179 9100 1 15 . 1 1 70 70 VAL N N 105 120.799 120.799 120.961 -0.162 18179 9101 1 15 . 1 1 70 70 VAL HA H 105 3.867 3.867 4.158 -0.291 18179 9102 1 15 . 1 1 70 70 VAL C C 105 174.191 174.191 174.697 -0.506 18179 9103 1 15 . 1 1 70 70 VAL CA C 105 63.450 63.450 62.170 1.280 18179 9104 1 15 . 1 1 70 70 VAL CB C 105 31.566 31.566 32.048 -0.482 18179 9105 1 15 . 1 1 70 70 VAL H H 105 8.943 8.943 8.690 0.253 18179 9106 1 15 . 1 1 71 71 LEU N N 106 129.105 129.105 125.945 3.160 18179 9107 1 15 . 1 1 71 71 LEU HA H 106 4.850 4.850 4.554 0.296 18179 9108 1 15 . 1 1 71 71 LEU CA C 106 53.854 53.854 52.755 1.099 18179 9109 1 15 . 1 1 71 71 LEU CB C 106 44.478 44.478 42.310 2.168 18179 9110 1 15 . 1 1 71 71 LEU H H 106 8.432 8.432 8.442 -0.010 18179 9111 1 15 . 1 1 72 72 LEU N N 107 123.682 123.682 124.030 -0.348 18179 9112 1 15 . 1 1 72 72 LEU H H 107 8.298 8.298 8.024 0.274 18179 9113 1 15 . 1 1 73 73 ASN N N 108 125.520 125.520 123.498 2.022 18179 9114 1 15 . 1 1 73 73 ASN CA C 108 51.631 51.631 52.971 -1.339 18179 9115 1 15 . 1 1 73 73 ASN CB C 108 41.484 41.484 38.156 3.328 18179 9116 1 15 . 1 1 73 73 ASN H H 108 9.761 9.761 8.391 1.370 18179 9117 1 15 . 1 1 74 74 LEU N N 109 122.070 122.070 126.846 -4.776 18179 9118 1 15 . 1 1 74 74 LEU H H 109 8.563 8.563 7.797 0.766 18179 9119 1 15 . 1 1 75 75 VAL HA H 110 5.100 5.100 4.314 0.786 18179 9120 1 15 . 1 1 75 75 VAL CA C 110 59.157 59.157 62.105 -2.948 18179 9121 1 15 . 1 1 76 76 TYR N N 111 120.641 120.641 125.702 -5.061 18179 9122 1 15 . 1 1 76 76 TYR HA H 111 4.569 4.569 4.633 -0.064 18179 9123 1 15 . 1 1 76 76 TYR C C 111 175.393 175.393 173.314 2.079 18179 9124 1 15 . 1 1 76 76 TYR CA C 111 57.736 57.736 57.634 0.102 18179 9125 1 15 . 1 1 76 76 TYR CB C 111 39.426 39.426 42.150 -2.724 18179 9126 1 15 . 1 1 76 76 TYR H H 111 8.255 8.255 8.343 -0.088 18179 9127 1 15 . 1 1 79 79 THR HA H 114 4.180 4.180 4.409 -0.229 18179 9128 1 15 . 1 1 79 79 THR CA C 114 61.295 61.295 61.468 -0.173 18179 9129 1 15 . 1 1 79 79 THR CB C 114 68.683 68.683 70.783 -2.100 18179 9130 1 15 . 1 1 80 80 ASP N N 115 121.026 121.026 123.506 -2.480 18179 9131 1 15 . 1 1 80 80 ASP C C 115 177.959 177.959 177.273 0.686 18179 9132 1 15 . 1 1 80 80 ASP CA C 115 53.276 53.276 54.761 -1.485 18179 9133 1 15 . 1 1 80 80 ASP H H 115 7.746 7.746 8.535 -0.789 18179 9134 1 15 . 1 1 81 81 LYS N N 116 129.056 129.056 121.499 7.557 18179 9135 1 15 . 1 1 81 81 LYS HA H 116 3.828 3.828 4.208 -0.380 18179 9136 1 15 . 1 1 81 81 LYS C C 116 179.118 179.118 177.943 1.175 18179 9137 1 15 . 1 1 81 81 LYS CA C 116 57.957 57.957 58.188 -0.231 18179 9138 1 15 . 1 1 81 81 LYS CB C 116 31.273 31.273 32.094 -0.821 18179 9139 1 15 . 1 1 81 81 LYS H H 116 8.873 8.873 8.689 0.184 18179 9140 1 15 . 1 1 82 82 HIS N N 117 116.887 116.887 117.058 -0.171 18179 9141 1 15 . 1 1 82 82 HIS HA H 117 4.290 4.290 4.376 -0.086 18179 9142 1 15 . 1 1 82 82 HIS C C 117 175.622 175.622 175.890 -0.268 18179 9143 1 15 . 1 1 82 82 HIS CA C 117 57.865 57.865 58.402 -0.537 18179 9144 1 15 . 1 1 82 82 HIS CB C 117 27.704 27.704 29.871 -2.167 18179 9145 1 15 . 1 1 82 82 HIS H H 117 8.707 8.707 8.164 0.543 18179 9146 1 15 . 1 1 83 83 LEU N N 118 113.733 113.733 117.018 -3.285 18179 9147 1 15 . 1 1 83 83 LEU HA H 118 4.290 4.290 4.338 -0.048 18179 9148 1 15 . 1 1 83 83 LEU C C 118 175.949 175.949 175.950 -0.001 18179 9149 1 15 . 1 1 83 83 LEU CA C 118 53.982 53.982 55.529 -1.547 18179 9150 1 15 . 1 1 83 83 LEU CB C 118 41.734 41.734 43.402 -1.668 18179 9151 1 15 . 1 1 83 83 LEU H H 118 7.332 7.332 7.467 -0.135 18179 9152 1 15 . 1 1 84 84 SER N N 119 111.979 111.979 113.997 -2.018 18179 9153 1 15 . 1 1 84 84 SER HA H 119 4.632 4.632 5.021 -0.389 18179 9154 1 15 . 1 1 84 84 SER C C 119 173.830 173.830 172.387 1.443 18179 9155 1 15 . 1 1 84 84 SER CA C 119 55.581 55.581 54.273 1.308 18179 9156 1 15 . 1 1 84 84 SER CB C 119 62.367 62.367 63.936 -1.569 18179 9157 1 15 . 1 1 84 84 SER H H 119 7.268 7.268 7.393 -0.125 18179 9158 1 15 . 1 1 85 85 PRO HA H 120 4.384 4.384 4.637 -0.253 18179 9159 1 15 . 1 1 85 85 PRO C C 120 177.881 177.881 176.575 1.306 18179 9160 1 15 . 1 1 85 85 PRO CA C 120 65.292 65.292 63.140 2.152 18179 9161 1 15 . 1 1 85 85 PRO CB C 120 31.942 31.942 32.001 -0.059 18179 9162 1 15 . 1 1 86 86 ASP N N 121 117.614 117.614 118.694 -1.080 18179 9163 1 15 . 1 1 86 86 ASP HA H 121 4.960 4.960 4.601 0.359 18179 9164 1 15 . 1 1 86 86 ASP C C 121 174.734 174.734 176.414 -1.680 18179 9165 1 15 . 1 1 86 86 ASP CA C 121 51.999 51.999 53.432 -1.433 18179 9166 1 15 . 1 1 86 86 ASP CB C 121 40.327 40.327 39.745 0.582 18179 9167 1 15 . 1 1 86 86 ASP H H 121 8.882 8.882 8.195 0.687 18179 9168 1 15 . 1 1 87 87 GLY N N 122 106.815 106.815 106.781 0.034 18179 9169 1 15 . 1 1 87 87 GLY C C 122 173.401 173.401 174.467 -1.066 18179 9170 1 15 . 1 1 87 87 GLY CA C 122 43.814 43.814 45.237 -1.423 18179 9171 1 15 . 1 1 87 87 GLY H H 122 6.973 6.973 7.396 -0.423 18179 9172 1 15 . 1 1 88 88 GLN N N 123 118.319 118.319 117.310 1.009 18179 9173 1 15 . 1 1 88 88 GLN HA H 123 3.984 3.984 4.519 -0.535 18179 9174 1 15 . 1 1 88 88 GLN C C 123 174.141 174.141 175.284 -1.143 18179 9175 1 15 . 1 1 88 88 GLN CA C 123 54.717 54.717 55.272 -0.555 18179 9176 1 15 . 1 1 88 88 GLN CB C 123 27.267 27.267 30.168 -2.901 18179 9177 1 15 . 1 1 88 88 GLN H H 123 8.224 8.224 8.140 0.084 18179 9178 1 15 . 1 1 89 89 TYR N N 124 117.220 117.220 118.939 -1.719 18179 9179 1 15 . 1 1 89 89 TYR HA H 124 4.596 4.596 4.595 0.001 18179 9180 1 15 . 1 1 89 89 TYR C C 124 173.402 173.402 174.720 -1.318 18179 9181 1 15 . 1 1 89 89 TYR CA C 124 54.672 54.672 57.384 -2.712 18179 9182 1 15 . 1 1 89 89 TYR CB C 124 38.970 38.970 41.076 -2.106 18179 9183 1 15 . 1 1 89 89 TYR H H 124 5.954 5.954 7.443 -1.489 18179 9184 1 15 . 1 1 90 90 VAL N N 125 109.249 109.249 122.783 -13.534 18179 9185 1 15 . 1 1 90 90 VAL HA H 125 4.572 4.572 3.703 0.869 18179 9186 1 15 . 1 1 90 90 VAL C C 125 173.254 173.254 174.748 -1.494 18179 9187 1 15 . 1 1 90 90 VAL CA C 125 57.982 57.982 62.243 -4.261 18179 9188 1 15 . 1 1 90 90 VAL CB C 125 35.376 35.376 32.182 3.194 18179 9189 1 15 . 1 1 90 90 VAL H H 125 8.303 8.303 7.729 0.574 18179 9190 1 15 . 1 1 92 92 ARG HA H 127 5.178 5.178 4.430 0.748 18179 9191 1 15 . 1 1 92 92 ARG CA C 127 55.689 55.689 55.700 -0.011 18179 9192 1 15 . 1 1 93 93 ILE N N 128 127.696 127.696 124.914 2.782 18179 9193 1 15 . 1 1 93 93 ILE HA H 128 5.088 5.088 4.585 0.503 18179 9194 1 15 . 1 1 93 93 ILE CA C 128 61.063 61.063 59.847 1.216 18179 9195 1 15 . 1 1 93 93 ILE CB C 128 39.101 39.101 39.736 -0.634 18179 9196 1 15 . 1 1 93 93 ILE H H 128 9.099 9.099 8.421 0.678 18179 9197 1 15 . 1 1 94 94 MET N N 129 122.683 122.683 125.046 -2.363 18179 9198 1 15 . 1 1 94 94 MET C C 129 174.006 174.006 173.917 0.089 18179 9199 1 15 . 1 1 94 94 MET CA C 129 51.503 51.503 53.859 -2.356 18179 9200 1 15 . 1 1 94 94 MET CB C 129 34.764 34.764 35.521 -0.757 18179 9201 1 15 . 1 1 94 94 MET H H 129 8.496 8.496 8.876 -0.380 18179 9202 1 15 . 1 1 95 95 PHE N N 130 118.014 118.014 115.516 2.498 18179 9203 1 15 . 1 1 95 95 PHE HA H 130 5.589 5.589 5.023 0.566 18179 9204 1 15 . 1 1 95 95 PHE C C 130 174.811 174.811 174.255 0.556 18179 9205 1 15 . 1 1 95 95 PHE CA C 130 56.432 56.432 55.972 0.460 18179 9206 1 15 . 1 1 95 95 PHE CB C 130 41.941 41.941 41.590 0.351 18179 9207 1 15 . 1 1 95 95 PHE H H 130 8.573 8.573 7.651 0.922 18179 9208 1 15 . 1 1 96 96 VAL N N 131 122.847 122.847 120.258 2.589 18179 9209 1 15 . 1 1 96 96 VAL HA H 131 4.337 4.337 4.393 -0.056 18179 9210 1 15 . 1 1 96 96 VAL C C 131 174.303 174.303 174.359 -0.056 18179 9211 1 15 . 1 1 96 96 VAL CA C 131 61.405 61.405 60.779 0.626 18179 9212 1 15 . 1 1 96 96 VAL CB C 131 34.679 34.679 35.889 -1.210 18179 9213 1 15 . 1 1 96 96 VAL H H 131 9.855 9.855 8.360 1.495 18179 9214 1 15 . 1 1 97 97 ASP N N 132 128.042 128.042 126.038 2.004 18179 9215 1 15 . 1 1 97 97 ASP HA H 132 4.883 4.883 4.840 0.043 18179 9216 1 15 . 1 1 97 97 ASP C C 132 174.958 174.958 175.640 -0.682 18179 9217 1 15 . 1 1 97 97 ASP CA C 132 53.082 53.082 51.611 1.471 18179 9218 1 15 . 1 1 97 97 ASP CB C 132 45.484 45.484 43.181 2.303 18179 9219 1 15 . 1 1 97 97 ASP H H 132 8.399 8.399 8.145 0.254 18179 9220 1 15 . 1 1 98 98 PRO HA H 133 4.566 4.566 4.317 0.249 18179 9221 1 15 . 1 1 98 98 PRO C C 133 175.650 175.650 176.755 -1.105 18179 9222 1 15 . 1 1 98 98 PRO CA C 133 65.207 65.207 64.035 1.172 18179 9223 1 15 . 1 1 98 98 PRO CB C 133 31.858 31.858 31.690 0.168 18179 9224 1 15 . 1 1 99 99 SER N N 134 111.171 111.171 114.284 -3.113 18179 9225 1 15 . 1 1 99 99 SER HA H 134 4.122 4.122 4.382 -0.260 18179 9226 1 15 . 1 1 99 99 SER C C 134 175.303 175.303 175.038 0.265 18179 9227 1 15 . 1 1 99 99 SER CA C 134 60.237 60.237 59.456 0.781 18179 9228 1 15 . 1 1 99 99 SER CB C 134 64.471 64.471 63.173 1.298 18179 9229 1 15 . 1 1 99 99 SER H H 134 8.154 8.154 8.397 -0.243 18179 9230 1 15 . 1 1 100 100 LEU N N 135 118.112 118.112 117.379 0.733 18179 9231 1 15 . 1 1 100 100 LEU HA H 135 3.683 3.683 3.998 -0.315 18179 9232 1 15 . 1 1 100 100 LEU C C 135 175.886 175.886 176.231 -0.345 18179 9233 1 15 . 1 1 100 100 LEU CA C 135 56.548 56.548 56.029 0.519 18179 9234 1 15 . 1 1 100 100 LEU CB C 135 36.922 36.922 39.469 -2.547 18179 9235 1 15 . 1 1 100 100 LEU H H 135 9.194 9.194 7.762 1.432 18179 9236 1 15 . 1 1 101 101 THR N N 136 116.048 116.048 111.907 4.141 18179 9237 1 15 . 1 1 101 101 THR HA H 136 4.191 4.191 4.573 -0.382 18179 9238 1 15 . 1 1 101 101 THR C C 136 173.771 173.771 172.765 1.006 18179 9239 1 15 . 1 1 101 101 THR CA C 136 62.123 62.123 61.161 0.962 18179 9240 1 15 . 1 1 101 101 THR CB C 136 70.407 70.407 71.159 -0.752 18179 9241 1 15 . 1 1 101 101 THR H H 136 7.022 7.022 7.625 -0.603 18179 9242 1 15 . 1 1 102 102 VAL N N 137 129.098 129.098 120.951 8.147 18179 9243 1 15 . 1 1 102 102 VAL HA H 137 3.874 3.874 4.241 -0.367 18179 9244 1 15 . 1 1 102 102 VAL C C 137 177.079 177.079 175.272 1.807 18179 9245 1 15 . 1 1 102 102 VAL CA C 137 64.163 64.163 61.317 2.846 18179 9246 1 15 . 1 1 102 102 VAL CB C 137 31.858 31.858 32.724 -0.866 18179 9247 1 15 . 1 1 102 102 VAL H H 137 9.039 9.039 8.286 0.753 18179 9248 1 15 . 1 1 103 103 ARG N N 138 128.421 128.421 123.512 4.909 18179 9249 1 15 . 1 1 103 103 ARG HA H 138 4.724 4.724 4.483 0.241 18179 9250 1 15 . 1 1 103 103 ARG C C 138 177.315 177.315 175.902 1.413 18179 9251 1 15 . 1 1 103 103 ARG CA C 138 50.845 50.845 54.463 -3.618 18179 9252 1 15 . 1 1 103 103 ARG CB C 138 25.210 25.210 30.457 -5.247 18179 9253 1 15 . 1 1 103 103 ARG H H 138 9.355 9.355 8.634 0.721 18179 9254 1 15 . 1 1 104 104 ALA N N 139 130.638 130.638 127.771 2.867 18179 9255 1 15 . 1 1 104 104 ALA HA H 139 4.128 4.128 4.308 -0.180 18179 9256 1 15 . 1 1 104 104 ALA C C 139 170.819 170.819 176.424 -5.605 18179 9257 1 15 . 1 1 104 104 ALA CA C 139 53.517 53.517 52.439 1.078 18179 9258 1 15 . 1 1 104 104 ALA CB C 139 18.047 18.047 17.783 0.264 18179 9259 1 15 . 1 1 104 104 ALA H H 139 8.340 8.340 8.780 -0.440 18179 9260 1 15 . 1 1 105 105 ASP N N 140 113.599 113.599 120.893 -7.294 18179 9261 1 15 . 1 1 105 105 ASP HA H 140 4.356 4.356 4.715 -0.359 18179 9262 1 15 . 1 1 105 105 ASP C C 140 175.173 175.173 175.487 -0.314 18179 9263 1 15 . 1 1 105 105 ASP CA C 140 54.097 54.097 53.553 0.543 18179 9264 1 15 . 1 1 105 105 ASP CB C 140 39.219 39.219 42.597 -3.378 18179 9265 1 15 . 1 1 105 105 ASP H H 140 9.653 9.653 8.272 1.381 18179 9266 1 15 . 1 1 106 106 ILE N N 141 122.867 122.867 120.589 2.278 18179 9267 1 15 . 1 1 106 106 ILE HA H 141 4.332 4.332 4.130 0.202 18179 9268 1 15 . 1 1 106 106 ILE C C 141 174.778 174.778 175.205 -0.427 18179 9269 1 15 . 1 1 106 106 ILE CA C 141 62.464 62.464 61.857 0.607 18179 9270 1 15 . 1 1 106 106 ILE CB C 141 36.210 36.210 38.451 -2.241 18179 9271 1 15 . 1 1 106 106 ILE H H 141 7.541 7.541 7.759 -0.218 18179 9272 1 15 . 1 1 107 107 THR N N 142 117.525 117.525 121.046 -3.521 18179 9273 1 15 . 1 1 107 107 THR HA H 142 4.721 4.721 4.511 0.210 18179 9274 1 15 . 1 1 107 107 THR C C 142 175.898 175.898 173.464 2.434 18179 9275 1 15 . 1 1 107 107 THR CA C 142 59.199 59.199 61.088 -1.889 18179 9276 1 15 . 1 1 107 107 THR CB C 142 71.817 71.817 71.304 0.513 18179 9277 1 15 . 1 1 107 107 THR H H 142 7.816 7.816 8.088 -0.272 18179 9278 1 15 . 1 1 108 108 GLY N N 143 109.853 109.853 111.452 -1.599 18179 9279 1 15 . 1 1 108 108 GLY C C 143 174.389 174.389 174.368 0.021 18179 9280 1 15 . 1 1 108 108 GLY CA C 143 44.291 44.291 45.323 -1.032 18179 9281 1 15 . 1 1 108 108 GLY H H 143 8.891 8.891 8.645 0.246 18179 9282 1 15 . 1 1 109 109 ARG N N 144 116.076 116.076 119.758 -3.682 18179 9283 1 15 . 1 1 109 109 ARG HA H 144 4.006 4.006 3.761 0.245 18179 9284 1 15 . 1 1 109 109 ARG C C 144 176.521 176.521 175.087 1.434 18179 9285 1 15 . 1 1 109 109 ARG CA C 144 55.989 55.989 58.174 -2.185 18179 9286 1 15 . 1 1 109 109 ARG CB C 144 30.851 30.851 29.023 1.828 18179 9287 1 15 . 1 1 109 109 ARG H H 144 8.108 8.108 8.746 -0.638 18179 9288 1 15 . 1 1 110 110 TYR N N 145 123.010 123.010 119.533 3.477 18179 9289 1 15 . 1 1 110 110 TYR HA H 145 4.506 4.506 4.685 -0.179 18179 9290 1 15 . 1 1 110 110 TYR C C 145 178.395 178.395 175.913 2.482 18179 9291 1 15 . 1 1 110 110 TYR CA C 145 57.217 57.217 56.793 0.424 18179 9292 1 15 . 1 1 110 110 TYR CB C 145 37.232 37.232 38.876 -1.644 18179 9293 1 15 . 1 1 110 110 TYR H H 145 8.825 8.825 8.155 0.670 18179 9294 1 15 . 1 1 111 111 SER N N 146 120.152 120.152 120.209 -0.057 18179 9295 1 15 . 1 1 111 111 SER HA H 146 3.948 3.948 4.151 -0.203 18179 9296 1 15 . 1 1 111 111 SER C C 146 174.939 174.939 175.698 -0.759 18179 9297 1 15 . 1 1 111 111 SER CA C 146 60.850 60.850 60.651 0.199 18179 9298 1 15 . 1 1 111 111 SER CB C 146 62.776 62.776 63.415 -0.639 18179 9299 1 15 . 1 1 111 111 SER H H 146 8.616 8.616 8.767 -0.151 18179 9300 1 15 . 1 1 112 112 ASN N N 147 116.146 116.146 118.628 -2.482 18179 9301 1 15 . 1 1 112 112 ASN HA H 147 4.558 4.558 4.570 -0.012 18179 9302 1 15 . 1 1 112 112 ASN C C 147 173.693 173.693 175.194 -1.501 18179 9303 1 15 . 1 1 112 112 ASN CA C 147 53.209 53.209 54.570 -1.361 18179 9304 1 15 . 1 1 112 112 ASN CB C 147 37.534 37.534 38.188 -0.654 18179 9305 1 15 . 1 1 112 112 ASN H H 147 8.374 8.374 8.365 0.009 18179 9306 1 15 . 1 1 113 113 ARG N N 148 121.673 121.673 117.621 4.052 18179 9307 1 15 . 1 1 113 113 ARG HA H 148 4.226 4.226 4.084 0.142 18179 9308 1 15 . 1 1 113 113 ARG C C 148 176.358 176.358 176.653 -0.295 18179 9309 1 15 . 1 1 113 113 ARG CA C 148 55.251 55.251 56.371 -1.120 18179 9310 1 15 . 1 1 113 113 ARG CB C 148 30.973 30.973 29.070 1.903 18179 9311 1 15 . 1 1 113 113 ARG H H 148 6.782 6.782 7.851 -1.069 18179 9312 1 15 . 1 1 114 114 LEU N N 149 125.966 125.966 122.138 3.828 18179 9313 1 15 . 1 1 114 114 LEU HA H 149 3.776 3.776 4.233 -0.457 18179 9314 1 15 . 1 1 114 114 LEU C C 149 175.787 175.787 177.041 -1.254 18179 9315 1 15 . 1 1 114 114 LEU CA C 149 57.640 57.640 57.480 0.160 18179 9316 1 15 . 1 1 114 114 LEU CB C 149 43.153 43.153 41.506 1.647 18179 9317 1 15 . 1 1 114 114 LEU H H 149 9.976 9.976 8.311 1.665 18179 9318 1 15 . 1 1 115 115 TYR N N 150 115.137 115.137 119.216 -4.079 18179 9319 1 15 . 1 1 115 115 TYR HA H 150 4.947 4.947 4.622 0.325 18179 9320 1 15 . 1 1 115 115 TYR C C 150 174.449 174.449 173.880 0.569 18179 9321 1 15 . 1 1 115 115 TYR CA C 150 55.986 55.986 58.060 -2.075 18179 9322 1 15 . 1 1 115 115 TYR CB C 150 38.660 38.660 40.626 -1.966 18179 9323 1 15 . 1 1 115 115 TYR H H 150 8.272 8.272 7.842 0.430 18179 9324 1 15 . 1 1 116 116 ALA N N 151 121.349 121.349 128.613 -7.264 18179 9325 1 15 . 1 1 116 116 ALA HA H 151 5.086 5.086 4.613 0.473 18179 9326 1 15 . 1 1 116 116 ALA C C 151 177.541 177.541 174.497 3.044 18179 9327 1 15 . 1 1 116 116 ALA CA C 151 51.614 51.614 51.974 -0.360 18179 9328 1 15 . 1 1 116 116 ALA CB C 151 21.262 21.262 20.686 0.576 18179 9329 1 15 . 1 1 116 116 ALA H H 151 7.515 7.515 7.673 -0.158 18179 9330 1 15 . 1 1 117 117 TYR N N 152 115.287 115.287 123.027 -7.740 18179 9331 1 15 . 1 1 117 117 TYR HA H 152 4.693 4.693 4.603 0.090 18179 9332 1 15 . 1 1 117 117 TYR C C 152 173.749 173.749 173.177 0.572 18179 9333 1 15 . 1 1 117 117 TYR CA C 152 58.142 58.142 59.361 -1.220 18179 9334 1 15 . 1 1 117 117 TYR CB C 152 42.827 42.827 41.436 1.391 18179 9335 1 15 . 1 1 117 117 TYR H H 152 6.916 6.916 9.654 -2.738 18179 9336 1 15 . 1 1 118 118 GLU N N 153 122.624 122.624 119.778 2.846 18179 9337 1 15 . 1 1 118 118 GLU HA H 153 4.951 4.951 4.641 0.310 18179 9338 1 15 . 1 1 118 118 GLU C C 153 175.895 175.895 174.558 1.337 18179 9339 1 15 . 1 1 118 118 GLU CA C 153 54.029 54.029 53.214 0.815 18179 9340 1 15 . 1 1 118 118 GLU CB C 153 29.513 29.513 31.722 -2.209 18179 9341 1 15 . 1 1 118 118 GLU H H 153 9.508 9.508 7.950 1.558 18179 9342 1 15 . 1 1 119 119 PRO HA H 154 4.119 4.119 4.353 -0.234 18179 9343 1 15 . 1 1 119 119 PRO C C 154 176.457 176.457 177.079 -0.622 18179 9344 1 15 . 1 1 119 119 PRO CA C 154 66.240 66.240 64.813 1.427 18179 9345 1 15 . 1 1 119 119 PRO CB C 154 31.682 31.682 32.228 -0.546 18179 9346 1 15 . 1 1 120 120 ALA N N 155 114.721 114.721 122.367 -7.646 18179 9347 1 15 . 1 1 120 120 ALA HA H 155 4.372 4.372 4.192 0.180 18179 9348 1 15 . 1 1 120 120 ALA C C 155 178.528 178.528 178.242 0.286 18179 9349 1 15 . 1 1 120 120 ALA CA C 155 53.148 53.148 54.562 -1.414 18179 9350 1 15 . 1 1 120 120 ALA CB C 155 18.782 18.782 19.076 -0.294 18179 9351 1 15 . 1 1 120 120 ALA H H 155 7.697 7.697 8.001 -0.304 18179 9352 1 15 . 1 1 121 121 ASP N N 156 117.502 117.502 116.543 0.959 18179 9353 1 15 . 1 1 121 121 ASP HA H 156 5.154 5.154 4.554 0.600 18179 9354 1 15 . 1 1 121 121 ASP C C 156 176.756 176.756 177.617 -0.861 18179 9355 1 15 . 1 1 121 121 ASP CA C 156 54.742 54.742 54.936 -0.194 18179 9356 1 15 . 1 1 121 121 ASP CB C 156 42.326 42.326 39.627 2.699 18179 9357 1 15 . 1 1 121 121 ASP H H 156 8.493 8.493 8.397 0.096 18179 9358 1 15 . 1 1 122 122 THR N N 157 111.372 111.372 112.945 -1.573 18179 9359 1 15 . 1 1 122 122 THR HA H 157 3.738 3.738 3.953 -0.215 18179 9360 1 15 . 1 1 122 122 THR C C 157 176.023 176.023 175.884 0.139 18179 9361 1 15 . 1 1 122 122 THR CA C 157 66.673 66.673 65.448 1.225 18179 9362 1 15 . 1 1 122 122 THR CB C 157 67.967 67.967 68.563 -0.596 18179 9363 1 15 . 1 1 122 122 THR H H 157 7.428 7.428 7.600 -0.172 18179 9364 1 15 . 1 1 123 123 ALA N N 158 123.853 123.853 122.810 1.043 18179 9365 1 15 . 1 1 123 123 ALA HA H 158 4.133 4.133 4.197 -0.064 18179 9366 1 15 . 1 1 123 123 ALA C C 158 179.987 179.987 179.255 0.732 18179 9367 1 15 . 1 1 123 123 ALA CA C 158 55.545 55.545 54.343 1.202 18179 9368 1 15 . 1 1 123 123 ALA CB C 158 17.458 17.458 18.174 -0.716 18179 9369 1 15 . 1 1 123 123 ALA H H 158 8.663 8.663 8.401 0.262 18179 9370 1 15 . 1 1 124 124 LEU N N 159 121.199 121.199 118.711 2.488 18179 9371 1 15 . 1 1 124 124 LEU HA H 159 4.229 4.229 4.360 -0.131 18179 9372 1 15 . 1 1 124 124 LEU C C 159 178.342 178.342 177.912 0.430 18179 9373 1 15 . 1 1 124 124 LEU CA C 159 57.329 57.329 57.128 0.201 18179 9374 1 15 . 1 1 124 124 LEU CB C 159 41.956 41.956 41.920 0.036 18179 9375 1 15 . 1 1 124 124 LEU H H 159 7.444 7.444 7.790 -0.346 18179 9376 1 15 . 1 1 125 125 LEU N N 160 119.836 119.836 120.320 -0.484 18179 9377 1 15 . 1 1 125 125 LEU HA H 160 3.963 3.963 4.185 -0.222 18179 9378 1 15 . 1 1 125 125 LEU C C 160 178.168 178.168 178.691 -0.523 18179 9379 1 15 . 1 1 125 125 LEU CA C 160 58.475 58.475 57.461 1.014 18179 9380 1 15 . 1 1 125 125 LEU CB C 160 40.915 40.915 42.369 -1.454 18179 9381 1 15 . 1 1 125 125 LEU H H 160 8.430 8.430 7.547 0.883 18179 9382 1 15 . 1 1 126 126 LEU N N 161 120.046 120.046 119.648 0.398 18179 9383 1 15 . 1 1 126 126 LEU HA H 161 4.000 4.000 3.933 0.067 18179 9384 1 15 . 1 1 126 126 LEU C C 161 178.848 178.848 178.940 -0.092 18179 9385 1 15 . 1 1 126 126 LEU CA C 161 58.524 58.524 58.020 0.504 18179 9386 1 15 . 1 1 126 126 LEU CB C 161 42.005 42.005 40.427 1.578 18179 9387 1 15 . 1 1 126 126 LEU H H 161 8.127 8.127 8.152 -0.025 18179 9388 1 15 . 1 1 127 127 ASP N N 162 119.057 119.057 118.550 0.507 18179 9389 1 15 . 1 1 127 127 ASP HA H 162 4.267 4.267 4.164 0.103 18179 9390 1 15 . 1 1 127 127 ASP C C 162 179.299 179.299 178.326 0.973 18179 9391 1 15 . 1 1 127 127 ASP CA C 162 57.699 57.699 57.606 0.093 18179 9392 1 15 . 1 1 127 127 ASP CB C 162 40.564 40.564 40.822 -0.258 18179 9393 1 15 . 1 1 127 127 ASP H H 162 7.872 7.872 7.804 0.068 18179 9394 1 15 . 1 1 128 128 ASN N N 163 122.268 122.268 117.841 4.427 18179 9395 1 15 . 1 1 128 128 ASN HA H 163 4.423 4.423 4.343 0.080 18179 9396 1 15 . 1 1 128 128 ASN C C 163 177.256 177.256 177.258 -0.002 18179 9397 1 15 . 1 1 128 128 ASN CA C 163 54.502 54.502 55.629 -1.127 18179 9398 1 15 . 1 1 128 128 ASN CB C 163 36.821 36.821 38.470 -1.649 18179 9399 1 15 . 1 1 128 128 ASN H H 163 8.711 8.711 7.610 1.101 18179 9400 1 15 . 1 1 129 129 MET N N 164 122.448 122.448 119.121 3.327 18179 9401 1 15 . 1 1 129 129 MET HA H 164 3.583 3.583 4.085 -0.502 18179 9402 1 15 . 1 1 129 129 MET C C 164 178.272 178.272 178.032 0.240 18179 9403 1 15 . 1 1 129 129 MET CA C 164 59.617 59.617 57.706 1.911 18179 9404 1 15 . 1 1 129 129 MET CB C 164 34.481 34.481 32.382 2.099 18179 9405 1 15 . 1 1 129 129 MET H H 164 8.704 8.704 7.866 0.838 18179 9406 1 15 . 1 1 130 130 LYS N N 165 117.243 117.243 119.509 -2.266 18179 9407 1 15 . 1 1 130 130 LYS HA H 165 3.869 3.869 3.965 -0.096 18179 9408 1 15 . 1 1 130 130 LYS C C 165 180.050 180.050 179.308 0.742 18179 9409 1 15 . 1 1 130 130 LYS CA C 165 60.517 60.517 59.017 1.500 18179 9410 1 15 . 1 1 130 130 LYS CB C 165 31.836 31.836 31.762 0.074 18179 9411 1 15 . 1 1 130 130 LYS H H 165 7.767 7.767 8.015 -0.248 18179 9412 1 15 . 1 1 131 131 LYS N N 166 120.486 120.486 118.737 1.749 18179 9413 1 15 . 1 1 131 131 LYS HA H 166 3.853 3.853 4.107 -0.254 18179 9414 1 15 . 1 1 131 131 LYS C C 166 179.232 179.232 178.129 1.103 18179 9415 1 15 . 1 1 131 131 LYS CA C 166 60.171 60.171 58.096 2.075 18179 9416 1 15 . 1 1 131 131 LYS CB C 166 32.783 32.783 32.030 0.753 18179 9417 1 15 . 1 1 131 131 LYS H H 166 7.914 7.914 7.606 0.308 18179 9418 1 15 . 1 1 132 132 ALA N N 167 122.426 122.426 119.541 2.885 18179 9419 1 15 . 1 1 132 132 ALA HA H 167 3.625 3.625 3.797 -0.172 18179 9420 1 15 . 1 1 132 132 ALA C C 167 177.616 177.616 178.767 -1.151 18179 9421 1 15 . 1 1 132 132 ALA CA C 167 54.246 54.246 53.903 0.343 18179 9422 1 15 . 1 1 132 132 ALA CB C 167 18.261 18.261 17.930 0.331 18179 9423 1 15 . 1 1 132 132 ALA H H 167 7.801 7.801 7.625 0.176 18179 9424 1 15 . 1 1 133 133 LEU N N 168 113.735 113.735 116.295 -2.560 18179 9425 1 15 . 1 1 133 133 LEU HA H 168 3.747 3.747 4.160 -0.413 18179 9426 1 15 . 1 1 133 133 LEU C C 168 177.322 177.322 176.671 0.651 18179 9427 1 15 . 1 1 133 133 LEU CA C 168 55.892 55.892 56.064 -0.172 18179 9428 1 15 . 1 1 133 133 LEU CB C 168 42.159 42.159 43.132 -0.973 18179 9429 1 15 . 1 1 133 133 LEU H H 168 7.010 7.010 7.403 -0.393 18179 9430 1 15 . 1 1 134 134 LYS N N 169 123.034 123.034 119.408 3.626 18179 9431 1 15 . 1 1 134 134 LYS HA H 169 4.331 4.331 4.484 -0.153 18179 9432 1 15 . 1 1 134 134 LYS C C 169 174.307 174.307 174.988 -0.681 18179 9433 1 15 . 1 1 134 134 LYS CA C 169 55.382 55.382 54.407 0.975 18179 9434 1 15 . 1 1 134 134 LYS CB C 169 29.718 29.718 32.613 -2.895 18179 9435 1 15 . 1 1 134 134 LYS H H 169 7.202 7.202 7.441 -0.239 18179 9436 1 15 . 1 1 135 135 LEU N N 170 120.490 120.490 122.290 -1.800 18179 9437 1 15 . 1 1 135 135 LEU HA H 170 3.980 3.980 4.346 -0.366 18179 9438 1 15 . 1 1 135 135 LEU C C 170 178.427 178.427 177.035 1.392 18179 9439 1 15 . 1 1 135 135 LEU CA C 170 54.884 54.884 53.943 0.941 18179 9440 1 15 . 1 1 135 135 LEU CB C 170 40.903 40.903 41.822 -0.919 18179 9441 1 15 . 1 1 135 135 LEU H H 170 7.334 7.334 8.337 -1.003 18179 9442 1 15 . 1 1 136 136 LEU N N 171 120.084 120.084 121.479 -1.395 18179 9443 1 15 . 1 1 136 136 LEU HA H 171 4.040 4.040 4.842 -0.802 18179 9444 1 15 . 1 1 136 136 LEU C C 171 178.231 178.231 176.335 1.896 18179 9445 1 15 . 1 1 136 136 LEU CA C 171 55.750 55.750 53.057 2.693 18179 9446 1 15 . 1 1 136 136 LEU CB C 171 41.734 41.734 42.361 -0.627 18179 9447 1 15 . 1 1 136 136 LEU H H 171 8.614 8.614 8.630 -0.016 18179 9448 1 15 . 1 1 137 137 LYS N N 172 121.059 121.059 121.924 -0.865 18179 9449 1 15 . 1 1 137 137 LYS HA H 172 4.333 4.333 4.592 -0.259 18179 9450 1 15 . 1 1 137 137 LYS C C 172 174.388 174.388 175.408 -1.020 18179 9451 1 15 . 1 1 137 137 LYS CA C 172 55.903 55.903 56.130 -0.227 18179 9452 1 15 . 1 1 137 137 LYS CB C 172 32.681 32.681 32.098 0.583 18179 9453 1 15 . 1 1 137 137 LYS H H 172 8.468 8.468 8.458 0.010 18179 9454 1 15 . 1 1 138 138 THR N N 173 116.267 116.267 121.889 -5.622 18179 9455 1 15 . 1 1 138 138 THR HA H 173 4.261 4.261 4.499 -0.238 18179 9456 1 15 . 1 1 138 138 THR C C 173 174.267 174.267 174.321 -0.054 18179 9457 1 15 . 1 1 138 138 THR CA C 173 61.867 61.867 62.052 -0.185 18179 9458 1 15 . 1 1 138 138 THR CB C 173 69.848 69.848 70.387 -0.539 18179 9459 1 15 . 1 1 138 138 THR H H 173 8.095 8.095 8.211 -0.116 18179 9460 1 15 . 1 1 139 139 GLU N N 174 123.648 123.648 124.592 -0.944 18179 9461 1 15 . 1 1 139 139 GLU HA H 174 4.288 4.288 4.292 -0.004 18179 9462 1 15 . 1 1 139 139 GLU C C 174 175.178 175.178 176.092 -0.914 18179 9463 1 15 . 1 1 139 139 GLU CA C 174 56.205 56.205 57.193 -0.988 18179 9464 1 15 . 1 1 139 139 GLU CB C 174 30.353 30.353 30.289 0.064 18179 9465 1 15 . 1 1 139 139 GLU H H 174 8.293 8.293 8.626 -0.333 18179 9466 1 16 . 1 1 17 17 LEU N N 52 120.529 120.529 122.144 -1.615 18179 9467 1 16 . 1 1 17 17 LEU HA H 52 4.317 4.317 4.161 0.156 18179 9468 1 16 . 1 1 17 17 LEU CA C 52 53.456 53.456 54.745 -1.289 18179 9469 1 16 . 1 1 17 17 LEU CB C 52 42.494 42.494 41.446 1.048 18179 9470 1 16 . 1 1 17 17 LEU H H 52 7.103 7.103 7.938 -0.835 18179 9471 1 16 . 1 1 18 18 ILE CB C 53 36.458 36.458 37.227 -0.769 18179 9472 1 16 . 1 1 23 23 TYR HA H 58 4.359 4.359 4.094 0.265 18179 9473 1 16 . 1 1 23 23 TYR C C 58 176.387 176.387 177.444 -1.057 18179 9474 1 16 . 1 1 23 23 TYR CA C 58 59.597 59.597 62.920 -3.323 18179 9475 1 16 . 1 1 23 23 TYR CB C 58 38.572 38.572 38.153 0.419 18179 9476 1 16 . 1 1 24 24 GLU N N 59 117.335 117.335 118.172 -0.837 18179 9477 1 16 . 1 1 24 24 GLU CA C 59 60.871 60.871 59.703 1.168 18179 9478 1 16 . 1 1 24 24 GLU CB C 59 28.494 28.494 28.713 -0.219 18179 9479 1 16 . 1 1 24 24 GLU H H 59 9.191 9.191 8.504 0.687 18179 9480 1 16 . 1 1 25 25 ALA N N 60 120.861 120.861 121.377 -0.516 18179 9481 1 16 . 1 1 25 25 ALA CA C 60 54.555 54.555 54.620 -0.065 18179 9482 1 16 . 1 1 25 25 ALA CB C 60 18.528 18.528 18.244 0.284 18179 9483 1 16 . 1 1 25 25 ALA H H 60 7.688 7.688 7.570 0.118 18179 9484 1 16 . 1 1 26 26 ALA N N 61 123.402 123.402 122.596 0.806 18179 9485 1 16 . 1 1 26 26 ALA HA H 61 3.900 3.900 4.055 -0.155 18179 9486 1 16 . 1 1 26 26 ALA CA C 61 55.346 55.346 54.881 0.465 18179 9487 1 16 . 1 1 26 26 ALA CB C 61 19.104 19.104 18.386 0.718 18179 9488 1 16 . 1 1 26 26 ALA H H 61 8.225 8.225 7.534 0.691 18179 9489 1 16 . 1 1 27 27 LEU N N 62 118.742 118.742 118.793 -0.051 18179 9490 1 16 . 1 1 27 27 LEU HA H 62 3.700 3.700 3.998 -0.298 18179 9491 1 16 . 1 1 27 27 LEU C C 62 171.911 171.911 178.888 -6.977 18179 9492 1 16 . 1 1 27 27 LEU CA C 62 57.654 57.654 57.847 -0.193 18179 9493 1 16 . 1 1 27 27 LEU CB C 62 41.905 41.905 41.521 0.384 18179 9494 1 16 . 1 1 27 27 LEU H H 62 8.336 8.336 8.462 -0.126 18179 9495 1 16 . 1 1 28 28 TYR N N 63 117.594 117.594 120.151 -2.557 18179 9496 1 16 . 1 1 28 28 TYR HA H 63 4.007 4.007 4.030 -0.023 18179 9497 1 16 . 1 1 28 28 TYR C C 63 179.075 179.075 177.438 1.637 18179 9498 1 16 . 1 1 28 28 TYR CA C 63 61.769 61.769 62.506 -0.737 18179 9499 1 16 . 1 1 28 28 TYR CB C 63 38.071 38.071 38.339 -0.268 18179 9500 1 16 . 1 1 28 28 TYR H H 63 7.279 7.279 7.794 -0.515 18179 9501 1 16 . 1 1 29 29 LYS N N 64 121.077 121.077 118.122 2.955 18179 9502 1 16 . 1 1 29 29 LYS HA H 64 3.663 3.663 3.987 -0.324 18179 9503 1 16 . 1 1 29 29 LYS C C 64 176.394 176.394 179.297 -2.903 18179 9504 1 16 . 1 1 29 29 LYS CA C 64 59.230 59.230 58.793 0.437 18179 9505 1 16 . 1 1 29 29 LYS CB C 64 32.573 32.573 31.595 0.978 18179 9506 1 16 . 1 1 29 29 LYS H H 64 8.472 8.472 8.085 0.387 18179 9507 1 16 . 1 1 30 30 SER N N 65 117.933 117.933 116.420 1.513 18179 9508 1 16 . 1 1 30 30 SER HA H 65 4.160 4.160 4.205 -0.045 18179 9509 1 16 . 1 1 30 30 SER C C 65 176.518 176.518 176.392 0.126 18179 9510 1 16 . 1 1 30 30 SER CA C 65 61.706 61.706 62.327 -0.621 18179 9511 1 16 . 1 1 30 30 SER CB C 65 64.022 64.022 62.962 1.060 18179 9512 1 16 . 1 1 30 30 SER H H 65 8.500 8.500 8.234 0.266 18179 9513 1 16 . 1 1 31 31 LYS N N 66 117.248 117.248 120.295 -3.047 18179 9514 1 16 . 1 1 31 31 LYS HA H 66 4.301 4.301 4.266 0.035 18179 9515 1 16 . 1 1 31 31 LYS C C 66 179.721 179.721 178.441 1.280 18179 9516 1 16 . 1 1 31 31 LYS CA C 66 59.165 59.165 58.466 0.699 18179 9517 1 16 . 1 1 31 31 LYS CB C 66 32.372 32.372 31.492 0.880 18179 9518 1 16 . 1 1 31 31 LYS H H 66 8.020 8.020 8.240 -0.220 18179 9519 1 16 . 1 1 32 32 THR N N 67 109.772 109.772 115.439 -5.667 18179 9520 1 16 . 1 1 32 32 THR HA H 67 3.883 3.883 4.112 -0.229 18179 9521 1 16 . 1 1 32 32 THR C C 67 176.237 176.237 175.974 0.263 18179 9522 1 16 . 1 1 32 32 THR CA C 67 64.813 64.813 64.658 0.155 18179 9523 1 16 . 1 1 32 32 THR CB C 67 69.445 69.445 68.794 0.651 18179 9524 1 16 . 1 1 32 32 THR H H 67 7.844 7.844 7.295 0.549 18179 9525 1 16 . 1 1 33 33 SER N N 68 115.610 115.610 114.648 0.962 18179 9526 1 16 . 1 1 33 33 SER HA H 68 4.369 4.369 4.481 -0.113 18179 9527 1 16 . 1 1 33 33 SER C C 68 174.628 174.628 174.177 0.451 18179 9528 1 16 . 1 1 33 33 SER CA C 68 59.242 59.242 59.373 -0.131 18179 9529 1 16 . 1 1 33 33 SER CB C 68 65.166 65.166 63.488 1.678 18179 9530 1 16 . 1 1 33 33 SER H H 68 8.047 8.047 7.741 0.306 18179 9531 1 16 . 1 1 34 34 ASN N N 69 110.215 110.215 116.112 -5.897 18179 9532 1 16 . 1 1 34 34 ASN HA H 69 4.181 4.181 4.407 -0.226 18179 9533 1 16 . 1 1 34 34 ASN C C 69 173.253 173.253 174.286 -1.033 18179 9534 1 16 . 1 1 34 34 ASN CA C 69 54.302 54.302 54.601 -0.299 18179 9535 1 16 . 1 1 34 34 ASN CB C 69 38.506 38.506 36.838 1.668 18179 9536 1 16 . 1 1 34 34 ASN H H 69 8.061 8.061 7.842 0.219 18179 9537 1 16 . 1 1 35 35 LYS N N 70 117.312 117.312 120.261 -2.949 18179 9538 1 16 . 1 1 35 35 LYS HA H 70 4.676 4.676 4.693 -0.017 18179 9539 1 16 . 1 1 35 35 LYS CA C 70 53.385 53.385 53.322 0.063 18179 9540 1 16 . 1 1 35 35 LYS CB C 70 34.049 34.049 33.248 0.801 18179 9541 1 16 . 1 1 35 35 LYS H H 70 7.589 7.589 7.456 0.133 18179 9542 1 16 . 1 1 36 36 PRO HA H 71 4.371 4.371 4.377 -0.006 18179 9543 1 16 . 1 1 36 36 PRO C C 71 172.189 172.189 176.077 -3.888 18179 9544 1 16 . 1 1 36 36 PRO CA C 71 62.356 62.356 63.048 -0.692 18179 9545 1 16 . 1 1 36 36 PRO CB C 71 31.785 31.785 31.843 -0.058 18179 9546 1 16 . 1 1 37 37 LEU N N 72 122.894 122.894 120.090 2.804 18179 9547 1 16 . 1 1 37 37 LEU HA H 72 5.392 5.392 4.801 0.591 18179 9548 1 16 . 1 1 37 37 LEU C C 72 174.422 174.422 175.113 -0.691 18179 9549 1 16 . 1 1 37 37 LEU CA C 72 52.656 52.656 52.991 -0.335 18179 9550 1 16 . 1 1 37 37 LEU CB C 72 45.220 45.220 44.486 0.734 18179 9551 1 16 . 1 1 37 37 LEU H H 72 8.936 8.936 7.894 1.042 18179 9552 1 16 . 1 1 38 38 MET N N 73 128.922 128.922 119.960 8.962 18179 9553 1 16 . 1 1 38 38 MET C C 73 172.488 172.488 176.387 -3.899 18179 9554 1 16 . 1 1 38 38 MET CA C 73 54.806 54.806 54.743 0.063 18179 9555 1 16 . 1 1 38 38 MET CB C 73 35.127 35.127 33.716 1.411 18179 9556 1 16 . 1 1 38 38 MET H H 73 8.965 8.965 8.110 0.855 18179 9557 1 16 . 1 1 39 39 ILE N N 74 124.016 124.016 120.306 3.710 18179 9558 1 16 . 1 1 39 39 ILE HA H 74 4.819 4.819 4.546 0.273 18179 9559 1 16 . 1 1 39 39 ILE C C 74 175.018 175.018 174.361 0.657 18179 9560 1 16 . 1 1 39 39 ILE CA C 74 59.688 59.688 60.758 -1.070 18179 9561 1 16 . 1 1 39 39 ILE CB C 74 40.407 40.407 37.739 2.668 18179 9562 1 16 . 1 1 39 39 ILE H H 74 8.727 8.727 9.066 -0.339 18179 9563 1 16 . 1 1 40 40 ILE N N 75 126.837 126.837 128.517 -1.680 18179 9564 1 16 . 1 1 40 40 ILE HA H 75 4.038 4.038 4.696 -0.658 18179 9565 1 16 . 1 1 40 40 ILE C C 75 175.282 175.282 174.734 0.548 18179 9566 1 16 . 1 1 40 40 ILE CA C 75 60.408 60.408 60.097 0.311 18179 9567 1 16 . 1 1 40 40 ILE CB C 75 40.028 40.028 38.733 1.295 18179 9568 1 16 . 1 1 40 40 ILE H H 75 8.587 8.587 8.440 0.147 18179 9569 1 16 . 1 1 41 41 HIS N N 76 128.633 128.633 128.633 0.000 18179 9570 1 16 . 1 1 41 41 HIS CA C 76 56.453 56.453 54.002 2.451 18179 9571 1 16 . 1 1 41 41 HIS CB C 76 29.368 29.368 33.383 -4.015 18179 9572 1 16 . 1 1 41 41 HIS H H 76 9.145 9.145 8.062 1.083 18179 9573 1 16 . 1 1 42 42 HIS HA H 77 4.822 4.822 4.787 0.035 18179 9574 1 16 . 1 1 42 42 HIS C C 77 170.942 170.942 172.458 -1.516 18179 9575 1 16 . 1 1 42 42 HIS CA C 77 54.441 54.441 55.192 -0.751 18179 9576 1 16 . 1 1 42 42 HIS CB C 77 34.768 34.768 33.651 1.117 18179 9577 1 16 . 1 1 43 43 LEU N N 78 114.526 114.526 122.107 -7.581 18179 9578 1 16 . 1 1 43 43 LEU HA H 78 4.540 4.540 4.363 0.177 18179 9579 1 16 . 1 1 43 43 LEU C C 78 177.855 177.855 176.967 0.888 18179 9580 1 16 . 1 1 43 43 LEU CA C 78 54.020 54.020 53.543 0.477 18179 9581 1 16 . 1 1 43 43 LEU CB C 78 46.643 46.643 44.683 1.960 18179 9582 1 16 . 1 1 43 43 LEU H H 78 7.077 7.077 7.780 -0.703 18179 9583 1 16 . 1 1 44 44 ASP N N 79 123.675 123.675 121.220 2.455 18179 9584 1 16 . 1 1 44 44 ASP HA H 79 4.452 4.452 4.129 0.323 18179 9585 1 16 . 1 1 44 44 ASP C C 79 177.872 177.872 176.459 1.413 18179 9586 1 16 . 1 1 44 44 ASP CA C 79 57.458 57.458 56.077 1.381 18179 9587 1 16 . 1 1 44 44 ASP CB C 79 40.739 40.739 40.960 -0.221 18179 9588 1 16 . 1 1 44 44 ASP H H 79 8.783 8.783 8.535 0.248 18179 9589 1 16 . 1 1 45 45 GLU N N 80 115.578 115.578 117.608 -2.030 18179 9590 1 16 . 1 1 45 45 GLU HA H 80 4.156 4.156 4.052 0.104 18179 9591 1 16 . 1 1 45 45 GLU C C 80 175.108 175.108 176.654 -1.546 18179 9592 1 16 . 1 1 45 45 GLU CA C 80 56.661 56.661 57.282 -0.621 18179 9593 1 16 . 1 1 45 45 GLU CB C 80 28.604 28.604 29.756 -1.152 18179 9594 1 16 . 1 1 45 45 GLU H H 80 9.146 9.146 8.262 0.884 18179 9595 1 16 . 1 1 46 46 CYS N N 81 125.642 125.642 119.179 6.463 18179 9596 1 16 . 1 1 46 46 CYS HA H 81 4.814 4.814 4.715 0.099 18179 9597 1 16 . 1 1 46 46 CYS C C 81 175.453 175.453 172.674 2.779 18179 9598 1 16 . 1 1 46 46 CYS CA C 81 56.298 56.298 56.106 0.192 18179 9599 1 16 . 1 1 46 46 CYS CB C 81 30.378 30.378 27.408 2.970 18179 9600 1 16 . 1 1 46 46 CYS H H 81 7.146 7.146 7.297 -0.151 18179 9601 1 16 . 1 1 47 47 PRO HA H 82 4.311 4.311 4.303 0.008 18179 9602 1 16 . 1 1 47 47 PRO CA C 82 64.536 64.536 63.705 0.831 18179 9603 1 16 . 1 1 47 47 PRO CB C 82 32.069 32.069 31.378 0.691 18179 9604 1 16 . 1 1 48 48 HIS N N 83 124.416 124.416 122.063 2.353 18179 9605 1 16 . 1 1 48 48 HIS HA H 83 4.511 4.511 4.428 0.083 18179 9606 1 16 . 1 1 48 48 HIS C C 83 178.820 178.820 177.140 1.680 18179 9607 1 16 . 1 1 48 48 HIS CA C 83 59.042 59.042 57.199 1.843 18179 9608 1 16 . 1 1 48 48 HIS CB C 83 28.921 28.921 30.426 -1.505 18179 9609 1 16 . 1 1 48 48 HIS H H 83 8.936 8.936 8.798 0.138 18179 9610 1 16 . 1 1 49 49 SER N N 84 129.973 129.973 118.510 11.463 18179 9611 1 16 . 1 1 49 49 SER HA H 84 4.152 4.152 3.640 0.512 18179 9612 1 16 . 1 1 49 49 SER C C 84 175.397 175.397 175.651 -0.254 18179 9613 1 16 . 1 1 49 49 SER CA C 84 63.873 63.873 61.758 2.115 18179 9614 1 16 . 1 1 49 49 SER CB C 84 65.516 65.516 62.640 2.876 18179 9615 1 16 . 1 1 49 49 SER H H 84 11.408 11.408 8.819 2.589 18179 9616 1 16 . 1 1 50 50 GLN N N 85 118.214 118.214 119.967 -1.753 18179 9617 1 16 . 1 1 50 50 GLN HA H 85 3.701 3.701 3.980 -0.279 18179 9618 1 16 . 1 1 50 50 GLN C C 85 178.213 178.213 177.717 0.496 18179 9619 1 16 . 1 1 50 50 GLN CA C 85 58.201 58.201 58.432 -0.231 18179 9620 1 16 . 1 1 50 50 GLN CB C 85 27.294 27.294 27.957 -0.663 18179 9621 1 16 . 1 1 50 50 GLN H H 85 8.192 8.192 8.122 0.070 18179 9622 1 16 . 1 1 51 51 ALA N N 86 121.790 121.790 122.301 -0.511 18179 9623 1 16 . 1 1 51 51 ALA HA H 86 4.099 4.099 4.110 -0.011 18179 9624 1 16 . 1 1 51 51 ALA C C 86 180.512 180.512 179.599 0.913 18179 9625 1 16 . 1 1 51 51 ALA CA C 86 54.742 54.742 54.631 0.111 18179 9626 1 16 . 1 1 51 51 ALA CB C 86 18.559 18.559 18.301 0.258 18179 9627 1 16 . 1 1 51 51 ALA H H 86 7.748 7.748 7.998 -0.250 18179 9628 1 16 . 1 1 52 52 LEU N N 87 118.528 118.528 119.644 -1.116 18179 9629 1 16 . 1 1 52 52 LEU HA H 87 4.076 4.076 4.319 -0.243 18179 9630 1 16 . 1 1 52 52 LEU CA C 87 57.266 57.266 56.498 0.768 18179 9631 1 16 . 1 1 52 52 LEU CB C 87 41.947 41.947 41.872 0.075 18179 9632 1 16 . 1 1 52 52 LEU H H 87 7.918 7.918 7.534 0.384 18179 9633 1 16 . 1 1 53 53 LYS N N 88 120.398 120.398 120.106 0.292 18179 9634 1 16 . 1 1 53 53 LYS H H 88 7.932 7.932 8.363 -0.431 18179 9635 1 16 . 1 1 54 54 LYS N N 89 115.219 115.219 119.308 -4.089 18179 9636 1 16 . 1 1 54 54 LYS HA H 89 3.790 3.790 4.138 -0.348 18179 9637 1 16 . 1 1 54 54 LYS C C 89 178.614 178.614 178.939 -0.325 18179 9638 1 16 . 1 1 54 54 LYS CA C 89 59.308 59.308 59.135 0.173 18179 9639 1 16 . 1 1 54 54 LYS CB C 89 32.530 32.530 32.126 0.404 18179 9640 1 16 . 1 1 54 54 LYS H H 89 6.889 6.889 7.545 -0.656 18179 9641 1 16 . 1 1 55 55 VAL N N 90 110.991 110.991 120.012 -9.021 18179 9642 1 16 . 1 1 55 55 VAL HA H 90 4.049 4.049 3.641 0.408 18179 9643 1 16 . 1 1 55 55 VAL C C 90 178.054 178.054 177.832 0.222 18179 9644 1 16 . 1 1 55 55 VAL CA C 90 64.467 64.467 66.302 -1.835 18179 9645 1 16 . 1 1 55 55 VAL CB C 90 31.625 31.625 31.605 0.020 18179 9646 1 16 . 1 1 55 55 VAL H H 90 6.748 6.748 7.407 -0.659 18179 9647 1 16 . 1 1 56 56 PHE N N 91 124.010 124.010 120.912 3.098 18179 9648 1 16 . 1 1 56 56 PHE HA H 91 3.829 3.829 4.125 -0.296 18179 9649 1 16 . 1 1 56 56 PHE C C 91 177.496 177.496 176.156 1.340 18179 9650 1 16 . 1 1 56 56 PHE CA C 91 61.854 61.854 61.078 0.776 18179 9651 1 16 . 1 1 56 56 PHE CB C 91 41.828 41.828 39.190 2.638 18179 9652 1 16 . 1 1 56 56 PHE H H 91 8.722 8.722 8.163 0.559 18179 9653 1 16 . 1 1 57 57 ALA N N 92 118.444 118.444 120.337 -1.893 18179 9654 1 16 . 1 1 57 57 ALA HA H 92 4.185 4.185 3.941 0.244 18179 9655 1 16 . 1 1 57 57 ALA C C 92 180.660 180.660 178.919 1.741 18179 9656 1 16 . 1 1 57 57 ALA CA C 92 54.288 54.288 54.074 0.214 18179 9657 1 16 . 1 1 57 57 ALA CB C 92 18.487 18.487 18.437 0.050 18179 9658 1 16 . 1 1 57 57 ALA H H 92 8.695 8.695 7.800 0.895 18179 9659 1 16 . 1 1 58 58 GLU N N 93 112.263 112.263 117.004 -4.741 18179 9660 1 16 . 1 1 58 58 GLU HA H 93 4.156 4.156 4.133 0.023 18179 9661 1 16 . 1 1 58 58 GLU C C 93 175.641 175.641 176.665 -1.024 18179 9662 1 16 . 1 1 58 58 GLU CA C 93 55.883 55.883 58.147 -2.264 18179 9663 1 16 . 1 1 58 58 GLU CB C 93 30.495 30.495 30.533 -0.038 18179 9664 1 16 . 1 1 58 58 GLU H H 93 7.108 7.108 8.050 -0.942 18179 9665 1 16 . 1 1 59 59 ASN N N 94 120.422 120.422 117.316 3.106 18179 9666 1 16 . 1 1 59 59 ASN HA H 94 4.590 4.590 4.866 -0.276 18179 9667 1 16 . 1 1 59 59 ASN C C 94 174.151 174.151 175.375 -1.224 18179 9668 1 16 . 1 1 59 59 ASN CA C 94 54.056 54.056 51.254 2.803 18179 9669 1 16 . 1 1 59 59 ASN CB C 94 38.723 38.723 38.287 0.436 18179 9670 1 16 . 1 1 59 59 ASN H H 94 7.269 7.269 8.237 -0.968 18179 9671 1 16 . 1 1 60 60 LYS N N 95 127.497 127.497 125.322 2.175 18179 9672 1 16 . 1 1 60 60 LYS HA H 95 3.770 3.770 3.844 -0.074 18179 9673 1 16 . 1 1 60 60 LYS C C 95 178.959 178.959 177.723 1.236 18179 9674 1 16 . 1 1 60 60 LYS CA C 95 59.337 59.337 58.990 0.347 18179 9675 1 16 . 1 1 60 60 LYS CB C 95 32.170 32.170 32.097 0.073 18179 9676 1 16 . 1 1 60 60 LYS H H 95 8.672 8.672 8.378 0.294 18179 9677 1 16 . 1 1 61 61 GLU N N 96 119.409 119.409 119.588 -0.179 18179 9678 1 16 . 1 1 61 61 GLU HA H 96 3.984 3.984 4.064 -0.080 18179 9679 1 16 . 1 1 61 61 GLU C C 96 179.574 179.574 178.980 0.594 18179 9680 1 16 . 1 1 61 61 GLU CA C 96 59.955 59.955 58.846 1.109 18179 9681 1 16 . 1 1 61 61 GLU CB C 96 29.246 29.246 29.634 -0.388 18179 9682 1 16 . 1 1 61 61 GLU H H 96 7.988 7.988 7.799 0.189 18179 9683 1 16 . 1 1 62 62 ILE N N 97 122.621 122.621 120.005 2.616 18179 9684 1 16 . 1 1 62 62 ILE HA H 97 3.224 3.224 3.852 -0.628 18179 9685 1 16 . 1 1 62 62 ILE C C 97 177.158 177.158 177.276 -0.118 18179 9686 1 16 . 1 1 62 62 ILE CA C 97 65.787 65.787 64.197 1.590 18179 9687 1 16 . 1 1 62 62 ILE CB C 97 37.710 37.710 38.078 -0.367 18179 9688 1 16 . 1 1 62 62 ILE H H 97 8.484 8.484 8.046 0.438 18179 9689 1 16 . 1 1 63 63 GLN N N 98 115.619 115.619 120.634 -5.015 18179 9690 1 16 . 1 1 63 63 GLN HA H 98 3.481 3.481 2.880 0.601 18179 9691 1 16 . 1 1 63 63 GLN C C 98 178.097 178.097 177.754 0.343 18179 9692 1 16 . 1 1 63 63 GLN CA C 98 58.601 58.601 59.325 -0.724 18179 9693 1 16 . 1 1 63 63 GLN CB C 98 28.834 28.834 28.110 0.724 18179 9694 1 16 . 1 1 63 63 GLN H H 98 8.046 8.046 7.700 0.346 18179 9695 1 16 . 1 1 64 64 LYS N N 99 116.464 116.464 117.693 -1.229 18179 9696 1 16 . 1 1 64 64 LYS HA H 99 4.125 4.125 3.975 0.150 18179 9697 1 16 . 1 1 64 64 LYS C C 99 179.740 179.740 179.077 0.663 18179 9698 1 16 . 1 1 64 64 LYS CA C 99 57.955 57.955 58.828 -0.873 18179 9699 1 16 . 1 1 64 64 LYS CB C 99 32.054 32.054 31.907 0.147 18179 9700 1 16 . 1 1 64 64 LYS H H 99 7.578 7.578 7.888 -0.310 18179 9701 1 16 . 1 1 65 65 LEU N N 100 122.576 122.576 121.021 1.555 18179 9702 1 16 . 1 1 65 65 LEU HA H 100 4.128 4.128 4.063 0.065 18179 9703 1 16 . 1 1 65 65 LEU C C 100 178.481 178.481 178.096 0.385 18179 9704 1 16 . 1 1 65 65 LEU CA C 100 57.044 57.044 57.329 -0.285 18179 9705 1 16 . 1 1 65 65 LEU CB C 100 41.883 41.883 41.821 0.062 18179 9706 1 16 . 1 1 65 65 LEU H H 100 7.916 7.916 7.305 0.611 18179 9707 1 16 . 1 1 66 66 ALA N N 101 119.534 119.534 120.433 -0.899 18179 9708 1 16 . 1 1 66 66 ALA HA H 101 3.810 3.810 2.412 1.398 18179 9709 1 16 . 1 1 66 66 ALA C C 101 177.520 177.520 179.484 -1.964 18179 9710 1 16 . 1 1 66 66 ALA CA C 101 54.772 54.772 54.241 0.531 18179 9711 1 16 . 1 1 66 66 ALA CB C 101 17.737 17.737 18.420 -0.683 18179 9712 1 16 . 1 1 66 66 ALA H H 101 8.511 8.511 8.190 0.321 18179 9713 1 16 . 1 1 67 67 GLU N N 102 113.081 113.081 116.700 -3.619 18179 9714 1 16 . 1 1 67 67 GLU HA H 102 4.113 4.113 3.979 0.134 18179 9715 1 16 . 1 1 67 67 GLU C C 102 178.295 178.295 177.277 1.018 18179 9716 1 16 . 1 1 67 67 GLU CA C 102 58.285 58.285 58.299 -0.014 18179 9717 1 16 . 1 1 67 67 GLU CB C 102 29.952 29.952 28.906 1.046 18179 9718 1 16 . 1 1 67 67 GLU H H 102 7.039 7.039 7.878 -0.839 18179 9719 1 16 . 1 1 68 68 GLN N N 103 116.244 116.244 116.140 0.104 18179 9720 1 16 . 1 1 68 68 GLN HA H 103 4.107 4.107 4.236 -0.129 18179 9721 1 16 . 1 1 68 68 GLN C C 103 173.173 173.173 176.105 -2.932 18179 9722 1 16 . 1 1 68 68 GLN CA C 103 56.094 56.094 57.453 -1.359 18179 9723 1 16 . 1 1 68 68 GLN CB C 103 28.703 28.703 30.126 -1.423 18179 9724 1 16 . 1 1 68 68 GLN H H 103 8.167 8.167 7.494 0.673 18179 9725 1 16 . 1 1 69 69 PHE N N 104 116.822 116.822 114.917 1.905 18179 9726 1 16 . 1 1 69 69 PHE HA H 104 4.645 4.645 4.886 -0.241 18179 9727 1 16 . 1 1 69 69 PHE C C 104 177.346 177.346 174.900 2.446 18179 9728 1 16 . 1 1 69 69 PHE CA C 104 57.254 57.254 55.047 2.207 18179 9729 1 16 . 1 1 69 69 PHE CB C 104 40.897 40.897 39.979 0.918 18179 9730 1 16 . 1 1 69 69 PHE H H 104 7.633 7.633 7.050 0.583 18179 9731 1 16 . 1 1 70 70 VAL N N 105 120.799 120.799 120.463 0.336 18179 9732 1 16 . 1 1 70 70 VAL HA H 105 3.867 3.867 4.232 -0.365 18179 9733 1 16 . 1 1 70 70 VAL C C 105 174.191 174.191 175.116 -0.925 18179 9734 1 16 . 1 1 70 70 VAL CA C 105 63.450 63.450 62.160 1.290 18179 9735 1 16 . 1 1 70 70 VAL CB C 105 31.566 31.566 32.549 -0.983 18179 9736 1 16 . 1 1 70 70 VAL H H 105 8.943 8.943 8.538 0.405 18179 9737 1 16 . 1 1 71 71 LEU N N 106 129.105 129.105 127.825 1.280 18179 9738 1 16 . 1 1 71 71 LEU HA H 106 4.850 4.850 4.784 0.066 18179 9739 1 16 . 1 1 71 71 LEU CA C 106 53.854 53.854 54.085 -0.231 18179 9740 1 16 . 1 1 71 71 LEU CB C 106 44.478 44.478 45.914 -1.436 18179 9741 1 16 . 1 1 71 71 LEU H H 106 8.432 8.432 8.475 -0.043 18179 9742 1 16 . 1 1 72 72 LEU N N 107 123.682 123.682 125.398 -1.716 18179 9743 1 16 . 1 1 72 72 LEU H H 107 8.298 8.298 8.496 -0.198 18179 9744 1 16 . 1 1 73 73 ASN N N 108 125.520 125.520 124.078 1.442 18179 9745 1 16 . 1 1 73 73 ASN CA C 108 51.631 51.631 53.586 -1.955 18179 9746 1 16 . 1 1 73 73 ASN CB C 108 41.484 41.484 38.039 3.445 18179 9747 1 16 . 1 1 73 73 ASN H H 108 9.761 9.761 8.858 0.903 18179 9748 1 16 . 1 1 74 74 LEU N N 109 122.070 122.070 123.374 -1.304 18179 9749 1 16 . 1 1 74 74 LEU H H 109 8.563 8.563 8.052 0.511 18179 9750 1 16 . 1 1 75 75 VAL HA H 110 5.100 5.100 4.395 0.705 18179 9751 1 16 . 1 1 75 75 VAL CA C 110 59.157 59.157 63.774 -4.617 18179 9752 1 16 . 1 1 76 76 TYR N N 111 120.641 120.641 120.299 0.342 18179 9753 1 16 . 1 1 76 76 TYR HA H 111 4.569 4.569 4.384 0.185 18179 9754 1 16 . 1 1 76 76 TYR C C 111 175.393 175.393 176.174 -0.781 18179 9755 1 16 . 1 1 76 76 TYR CA C 111 57.736 57.736 60.494 -2.758 18179 9756 1 16 . 1 1 76 76 TYR CB C 111 39.426 39.426 38.225 1.201 18179 9757 1 16 . 1 1 76 76 TYR H H 111 8.255 8.255 8.426 -0.171 18179 9758 1 16 . 1 1 79 79 THR HA H 114 4.180 4.180 3.832 0.348 18179 9759 1 16 . 1 1 79 79 THR CA C 114 61.295 61.295 61.755 -0.460 18179 9760 1 16 . 1 1 79 79 THR CB C 114 68.683 68.683 69.496 -0.813 18179 9761 1 16 . 1 1 80 80 ASP N N 115 121.026 121.026 124.237 -3.211 18179 9762 1 16 . 1 1 80 80 ASP C C 115 177.959 177.959 176.861 1.098 18179 9763 1 16 . 1 1 80 80 ASP CA C 115 53.276 53.276 54.413 -1.137 18179 9764 1 16 . 1 1 80 80 ASP H H 115 7.746 7.746 8.290 -0.544 18179 9765 1 16 . 1 1 81 81 LYS N N 116 129.056 129.056 124.866 4.190 18179 9766 1 16 . 1 1 81 81 LYS HA H 116 3.828 3.828 4.051 -0.223 18179 9767 1 16 . 1 1 81 81 LYS C C 116 179.118 179.118 177.284 1.834 18179 9768 1 16 . 1 1 81 81 LYS CA C 116 57.957 57.957 57.883 0.074 18179 9769 1 16 . 1 1 81 81 LYS CB C 116 31.273 31.273 32.749 -1.476 18179 9770 1 16 . 1 1 81 81 LYS H H 116 8.873 8.873 8.490 0.383 18179 9771 1 16 . 1 1 82 82 HIS N N 117 116.887 116.887 116.372 0.515 18179 9772 1 16 . 1 1 82 82 HIS HA H 117 4.290 4.290 4.652 -0.362 18179 9773 1 16 . 1 1 82 82 HIS C C 117 175.622 175.622 177.012 -1.390 18179 9774 1 16 . 1 1 82 82 HIS CA C 117 57.865 57.865 57.625 0.240 18179 9775 1 16 . 1 1 82 82 HIS CB C 117 27.704 27.704 30.157 -2.453 18179 9776 1 16 . 1 1 82 82 HIS H H 117 8.707 8.707 8.149 0.558 18179 9777 1 16 . 1 1 83 83 LEU N N 118 113.733 113.733 120.609 -6.876 18179 9778 1 16 . 1 1 83 83 LEU HA H 118 4.290 4.290 4.202 0.088 18179 9779 1 16 . 1 1 83 83 LEU C C 118 175.949 175.949 176.942 -0.993 18179 9780 1 16 . 1 1 83 83 LEU CA C 118 53.982 53.982 56.532 -2.550 18179 9781 1 16 . 1 1 83 83 LEU CB C 118 41.734 41.734 42.835 -1.101 18179 9782 1 16 . 1 1 83 83 LEU H H 118 7.332 7.332 8.867 -1.535 18179 9783 1 16 . 1 1 84 84 SER N N 119 111.979 111.979 112.042 -0.063 18179 9784 1 16 . 1 1 84 84 SER HA H 119 4.632 4.632 4.823 -0.191 18179 9785 1 16 . 1 1 84 84 SER C C 119 173.830 173.830 173.067 0.763 18179 9786 1 16 . 1 1 84 84 SER CA C 119 55.581 55.581 54.930 0.651 18179 9787 1 16 . 1 1 84 84 SER CB C 119 62.367 62.367 63.754 -1.387 18179 9788 1 16 . 1 1 84 84 SER H H 119 7.268 7.268 7.511 -0.243 18179 9789 1 16 . 1 1 85 85 PRO HA H 120 4.384 4.384 4.695 -0.311 18179 9790 1 16 . 1 1 85 85 PRO C C 120 177.881 177.881 176.715 1.166 18179 9791 1 16 . 1 1 85 85 PRO CA C 120 65.292 65.292 63.487 1.804 18179 9792 1 16 . 1 1 85 85 PRO CB C 120 31.942 31.942 32.001 -0.059 18179 9793 1 16 . 1 1 86 86 ASP N N 121 117.614 117.614 118.359 -0.745 18179 9794 1 16 . 1 1 86 86 ASP HA H 121 4.960 4.960 4.696 0.264 18179 9795 1 16 . 1 1 86 86 ASP C C 121 174.734 174.734 176.888 -2.154 18179 9796 1 16 . 1 1 86 86 ASP CA C 121 51.999 51.999 53.783 -1.784 18179 9797 1 16 . 1 1 86 86 ASP CB C 121 40.327 40.327 40.916 -0.589 18179 9798 1 16 . 1 1 86 86 ASP H H 121 8.882 8.882 8.092 0.790 18179 9799 1 16 . 1 1 87 87 GLY N N 122 106.815 106.815 108.424 -1.609 18179 9800 1 16 . 1 1 87 87 GLY C C 122 173.401 173.401 174.748 -1.347 18179 9801 1 16 . 1 1 87 87 GLY CA C 122 43.814 43.814 44.783 -0.969 18179 9802 1 16 . 1 1 87 87 GLY H H 122 6.973 6.973 7.414 -0.441 18179 9803 1 16 . 1 1 88 88 GLN N N 123 118.319 118.319 119.019 -0.700 18179 9804 1 16 . 1 1 88 88 GLN HA H 123 3.984 3.984 4.007 -0.023 18179 9805 1 16 . 1 1 88 88 GLN C C 123 174.141 174.141 176.841 -2.700 18179 9806 1 16 . 1 1 88 88 GLN CA C 123 54.717 54.717 57.244 -2.527 18179 9807 1 16 . 1 1 88 88 GLN CB C 123 27.267 27.267 28.599 -1.332 18179 9808 1 16 . 1 1 88 88 GLN H H 123 8.224 8.224 8.272 -0.048 18179 9809 1 16 . 1 1 89 89 TYR N N 124 117.220 117.220 117.827 -0.607 18179 9810 1 16 . 1 1 89 89 TYR HA H 124 4.596 4.596 4.372 0.224 18179 9811 1 16 . 1 1 89 89 TYR C C 124 173.402 173.402 176.879 -3.477 18179 9812 1 16 . 1 1 89 89 TYR CA C 124 54.672 54.672 58.513 -3.841 18179 9813 1 16 . 1 1 89 89 TYR CB C 124 38.970 38.970 39.168 -0.198 18179 9814 1 16 . 1 1 89 89 TYR H H 124 5.954 5.954 7.999 -2.045 18179 9815 1 16 . 1 1 90 90 VAL N N 125 109.249 109.249 116.808 -7.559 18179 9816 1 16 . 1 1 90 90 VAL HA H 125 4.572 4.572 4.159 0.413 18179 9817 1 16 . 1 1 90 90 VAL C C 125 173.254 173.254 175.456 -2.202 18179 9818 1 16 . 1 1 90 90 VAL CA C 125 57.982 57.982 63.968 -5.986 18179 9819 1 16 . 1 1 90 90 VAL CB C 125 35.376 35.376 30.678 4.698 18179 9820 1 16 . 1 1 90 90 VAL H H 125 8.303 8.303 8.782 -0.479 18179 9821 1 16 . 1 1 92 92 ARG HA H 127 5.178 5.178 4.498 0.680 18179 9822 1 16 . 1 1 92 92 ARG CA C 127 55.689 55.689 55.150 0.539 18179 9823 1 16 . 1 1 93 93 ILE N N 128 127.696 127.696 127.025 0.671 18179 9824 1 16 . 1 1 93 93 ILE HA H 128 5.088 5.088 4.669 0.419 18179 9825 1 16 . 1 1 93 93 ILE CA C 128 61.063 61.063 60.451 0.612 18179 9826 1 16 . 1 1 93 93 ILE CB C 128 39.101 39.101 38.279 0.822 18179 9827 1 16 . 1 1 93 93 ILE H H 128 9.099 9.099 8.386 0.713 18179 9828 1 16 . 1 1 94 94 MET N N 129 122.683 122.683 126.961 -4.278 18179 9829 1 16 . 1 1 94 94 MET C C 129 174.006 174.006 173.630 0.376 18179 9830 1 16 . 1 1 94 94 MET CA C 129 51.503 51.503 53.858 -2.355 18179 9831 1 16 . 1 1 94 94 MET CB C 129 34.764 34.764 37.606 -2.842 18179 9832 1 16 . 1 1 94 94 MET H H 129 8.496 8.496 8.142 0.354 18179 9833 1 16 . 1 1 95 95 PHE N N 130 118.014 118.014 119.059 -1.045 18179 9834 1 16 . 1 1 95 95 PHE HA H 130 5.589 5.589 5.543 0.046 18179 9835 1 16 . 1 1 95 95 PHE C C 130 174.811 174.811 173.484 1.327 18179 9836 1 16 . 1 1 95 95 PHE CA C 130 56.432 56.432 55.204 1.228 18179 9837 1 16 . 1 1 95 95 PHE CB C 130 41.941 41.941 41.552 0.389 18179 9838 1 16 . 1 1 95 95 PHE H H 130 8.573 8.573 8.400 0.173 18179 9839 1 16 . 1 1 96 96 VAL N N 131 122.847 122.847 119.227 3.620 18179 9840 1 16 . 1 1 96 96 VAL HA H 131 4.337 4.337 4.165 0.172 18179 9841 1 16 . 1 1 96 96 VAL C C 131 174.303 174.303 173.408 0.895 18179 9842 1 16 . 1 1 96 96 VAL CA C 131 61.405 61.405 60.715 0.690 18179 9843 1 16 . 1 1 96 96 VAL CB C 131 34.679 34.679 35.718 -1.039 18179 9844 1 16 . 1 1 96 96 VAL H H 131 9.855 9.855 8.748 1.107 18179 9845 1 16 . 1 1 97 97 ASP N N 132 128.042 128.042 120.695 7.347 18179 9846 1 16 . 1 1 97 97 ASP HA H 132 4.883 4.883 5.034 -0.151 18179 9847 1 16 . 1 1 97 97 ASP C C 132 174.958 174.958 173.974 0.984 18179 9848 1 16 . 1 1 97 97 ASP CA C 132 53.082 53.082 51.979 1.103 18179 9849 1 16 . 1 1 97 97 ASP CB C 132 45.484 45.484 44.304 1.180 18179 9850 1 16 . 1 1 97 97 ASP H H 132 8.399 8.399 8.312 0.087 18179 9851 1 16 . 1 1 98 98 PRO HA H 133 4.566 4.566 4.359 0.207 18179 9852 1 16 . 1 1 98 98 PRO C C 133 175.650 175.650 177.054 -1.404 18179 9853 1 16 . 1 1 98 98 PRO CA C 133 65.207 65.207 65.125 0.082 18179 9854 1 16 . 1 1 98 98 PRO CB C 133 31.858 31.858 32.206 -0.348 18179 9855 1 16 . 1 1 99 99 SER N N 134 111.171 111.171 112.055 -0.884 18179 9856 1 16 . 1 1 99 99 SER HA H 134 4.122 4.122 4.445 -0.323 18179 9857 1 16 . 1 1 99 99 SER C C 134 175.303 175.303 176.372 -1.069 18179 9858 1 16 . 1 1 99 99 SER CA C 134 60.237 60.237 60.508 -0.271 18179 9859 1 16 . 1 1 99 99 SER CB C 134 64.471 64.471 63.426 1.044 18179 9860 1 16 . 1 1 99 99 SER H H 134 8.154 8.154 8.228 -0.074 18179 9861 1 16 . 1 1 100 100 LEU N N 135 118.112 118.112 120.926 -2.814 18179 9862 1 16 . 1 1 100 100 LEU HA H 135 3.683 3.683 4.187 -0.504 18179 9863 1 16 . 1 1 100 100 LEU C C 135 175.886 175.886 177.065 -1.179 18179 9864 1 16 . 1 1 100 100 LEU CA C 135 56.548 56.548 56.257 0.291 18179 9865 1 16 . 1 1 100 100 LEU CB C 135 36.922 36.922 42.334 -5.412 18179 9866 1 16 . 1 1 100 100 LEU H H 135 9.194 9.194 9.124 0.070 18179 9867 1 16 . 1 1 101 101 THR N N 136 116.048 116.048 110.363 5.685 18179 9868 1 16 . 1 1 101 101 THR HA H 136 4.191 4.191 4.019 0.172 18179 9869 1 16 . 1 1 101 101 THR C C 136 173.771 173.771 173.606 0.165 18179 9870 1 16 . 1 1 101 101 THR CA C 136 62.123 62.123 63.331 -1.208 18179 9871 1 16 . 1 1 101 101 THR CB C 136 70.407 70.407 68.042 2.365 18179 9872 1 16 . 1 1 101 101 THR H H 136 7.022 7.022 7.683 -0.661 18179 9873 1 16 . 1 1 102 102 VAL N N 137 129.098 129.098 123.729 5.369 18179 9874 1 16 . 1 1 102 102 VAL HA H 137 3.874 3.874 4.141 -0.267 18179 9875 1 16 . 1 1 102 102 VAL C C 137 177.079 177.079 175.025 2.054 18179 9876 1 16 . 1 1 102 102 VAL CA C 137 64.163 64.163 62.266 1.897 18179 9877 1 16 . 1 1 102 102 VAL CB C 137 31.858 31.858 31.967 -0.109 18179 9878 1 16 . 1 1 102 102 VAL H H 137 9.039 9.039 8.235 0.804 18179 9879 1 16 . 1 1 103 103 ARG N N 138 128.421 128.421 129.163 -0.742 18179 9880 1 16 . 1 1 103 103 ARG HA H 138 4.724 4.724 4.712 0.012 18179 9881 1 16 . 1 1 103 103 ARG C C 138 177.315 177.315 174.418 2.897 18179 9882 1 16 . 1 1 103 103 ARG CA C 138 50.845 50.845 55.355 -4.510 18179 9883 1 16 . 1 1 103 103 ARG CB C 138 25.210 25.210 31.494 -6.284 18179 9884 1 16 . 1 1 103 103 ARG H H 138 9.355 9.355 8.920 0.435 18179 9885 1 16 . 1 1 104 104 ALA N N 139 130.638 130.638 125.000 5.638 18179 9886 1 16 . 1 1 104 104 ALA HA H 139 4.128 4.128 4.457 -0.329 18179 9887 1 16 . 1 1 104 104 ALA C C 139 170.819 170.819 174.987 -4.168 18179 9888 1 16 . 1 1 104 104 ALA CA C 139 53.517 53.517 52.308 1.209 18179 9889 1 16 . 1 1 104 104 ALA CB C 139 18.047 18.047 21.008 -2.961 18179 9890 1 16 . 1 1 104 104 ALA H H 139 8.340 8.340 8.535 -0.195 18179 9891 1 16 . 1 1 105 105 ASP N N 140 113.599 113.599 122.225 -8.626 18179 9892 1 16 . 1 1 105 105 ASP HA H 140 4.356 4.356 4.911 -0.555 18179 9893 1 16 . 1 1 105 105 ASP C C 140 175.173 175.173 175.383 -0.210 18179 9894 1 16 . 1 1 105 105 ASP CA C 140 54.097 54.097 54.090 0.007 18179 9895 1 16 . 1 1 105 105 ASP CB C 140 39.219 39.219 41.135 -1.916 18179 9896 1 16 . 1 1 105 105 ASP H H 140 9.653 9.653 8.618 1.035 18179 9897 1 16 . 1 1 106 106 ILE N N 141 122.867 122.867 124.363 -1.496 18179 9898 1 16 . 1 1 106 106 ILE HA H 141 4.332 4.332 4.290 0.042 18179 9899 1 16 . 1 1 106 106 ILE C C 141 174.778 174.778 175.587 -0.809 18179 9900 1 16 . 1 1 106 106 ILE CA C 141 62.464 62.464 60.727 1.737 18179 9901 1 16 . 1 1 106 106 ILE CB C 141 36.210 36.210 37.925 -1.716 18179 9902 1 16 . 1 1 106 106 ILE H H 141 7.541 7.541 8.519 -0.978 18179 9903 1 16 . 1 1 107 107 THR N N 142 117.525 117.525 121.710 -4.185 18179 9904 1 16 . 1 1 107 107 THR HA H 142 4.721 4.721 4.512 0.209 18179 9905 1 16 . 1 1 107 107 THR C C 142 175.898 175.898 174.254 1.644 18179 9906 1 16 . 1 1 107 107 THR CA C 142 59.199 59.199 61.766 -2.567 18179 9907 1 16 . 1 1 107 107 THR CB C 142 71.817 71.817 69.564 2.253 18179 9908 1 16 . 1 1 107 107 THR H H 142 7.816 7.816 8.320 -0.504 18179 9909 1 16 . 1 1 108 108 GLY N N 143 109.853 109.853 112.295 -2.442 18179 9910 1 16 . 1 1 108 108 GLY C C 143 174.389 174.389 172.842 1.547 18179 9911 1 16 . 1 1 108 108 GLY CA C 143 44.291 44.291 44.902 -0.611 18179 9912 1 16 . 1 1 108 108 GLY H H 143 8.891 8.891 8.296 0.595 18179 9913 1 16 . 1 1 109 109 ARG N N 144 116.076 116.076 122.911 -6.835 18179 9914 1 16 . 1 1 109 109 ARG HA H 144 4.006 4.006 4.198 -0.192 18179 9915 1 16 . 1 1 109 109 ARG C C 144 176.521 176.521 175.080 1.441 18179 9916 1 16 . 1 1 109 109 ARG CA C 144 55.989 55.989 56.014 -0.025 18179 9917 1 16 . 1 1 109 109 ARG CB C 144 30.851 30.851 31.324 -0.473 18179 9918 1 16 . 1 1 109 109 ARG H H 144 8.108 8.108 8.417 -0.309 18179 9919 1 16 . 1 1 110 110 TYR N N 145 123.010 123.010 118.858 4.152 18179 9920 1 16 . 1 1 110 110 TYR HA H 145 4.506 4.506 4.737 -0.231 18179 9921 1 16 . 1 1 110 110 TYR C C 145 178.395 178.395 175.427 2.968 18179 9922 1 16 . 1 1 110 110 TYR CA C 145 57.217 57.217 57.473 -0.256 18179 9923 1 16 . 1 1 110 110 TYR CB C 145 37.232 37.232 39.169 -1.937 18179 9924 1 16 . 1 1 110 110 TYR H H 145 8.825 8.825 8.275 0.550 18179 9925 1 16 . 1 1 111 111 SER N N 146 120.152 120.152 118.125 2.027 18179 9926 1 16 . 1 1 111 111 SER HA H 146 3.948 3.948 4.230 -0.282 18179 9927 1 16 . 1 1 111 111 SER C C 146 174.939 174.939 175.007 -0.068 18179 9928 1 16 . 1 1 111 111 SER CA C 146 60.850 60.850 60.900 -0.050 18179 9929 1 16 . 1 1 111 111 SER CB C 146 62.776 62.776 63.549 -0.773 18179 9930 1 16 . 1 1 111 111 SER H H 146 8.616 8.616 8.621 -0.005 18179 9931 1 16 . 1 1 112 112 ASN N N 147 116.146 116.146 113.799 2.347 18179 9932 1 16 . 1 1 112 112 ASN HA H 147 4.558 4.558 4.637 -0.079 18179 9933 1 16 . 1 1 112 112 ASN C C 147 173.693 173.693 174.512 -0.819 18179 9934 1 16 . 1 1 112 112 ASN CA C 147 53.209 53.209 53.835 -0.626 18179 9935 1 16 . 1 1 112 112 ASN CB C 147 37.534 37.534 38.110 -0.576 18179 9936 1 16 . 1 1 112 112 ASN H H 147 8.374 8.374 8.139 0.235 18179 9937 1 16 . 1 1 113 113 ARG N N 148 121.673 121.673 120.528 1.145 18179 9938 1 16 . 1 1 113 113 ARG HA H 148 4.226 4.226 4.529 -0.303 18179 9939 1 16 . 1 1 113 113 ARG C C 148 176.358 176.358 174.566 1.792 18179 9940 1 16 . 1 1 113 113 ARG CA C 148 55.251 55.251 55.689 -0.438 18179 9941 1 16 . 1 1 113 113 ARG CB C 148 30.973 30.973 31.980 -1.007 18179 9942 1 16 . 1 1 113 113 ARG H H 148 6.782 6.782 8.071 -1.289 18179 9943 1 16 . 1 1 114 114 LEU N N 149 125.966 125.966 122.543 3.423 18179 9944 1 16 . 1 1 114 114 LEU HA H 149 3.776 3.776 4.318 -0.542 18179 9945 1 16 . 1 1 114 114 LEU C C 149 175.787 175.787 175.737 0.050 18179 9946 1 16 . 1 1 114 114 LEU CA C 149 57.640 57.640 54.063 3.577 18179 9947 1 16 . 1 1 114 114 LEU CB C 149 43.153 43.153 41.836 1.317 18179 9948 1 16 . 1 1 114 114 LEU H H 149 9.976 9.976 8.382 1.594 18179 9949 1 16 . 1 1 115 115 TYR N N 150 115.137 115.137 118.928 -3.791 18179 9950 1 16 . 1 1 115 115 TYR HA H 150 4.947 4.947 4.625 0.322 18179 9951 1 16 . 1 1 115 115 TYR C C 150 174.449 174.449 174.463 -0.014 18179 9952 1 16 . 1 1 115 115 TYR CA C 150 55.986 55.986 57.111 -1.125 18179 9953 1 16 . 1 1 115 115 TYR CB C 150 38.660 38.660 38.956 -0.296 18179 9954 1 16 . 1 1 115 115 TYR H H 150 8.272 8.272 7.461 0.811 18179 9955 1 16 . 1 1 116 116 ALA N N 151 121.349 121.349 127.558 -6.209 18179 9956 1 16 . 1 1 116 116 ALA HA H 151 5.086 5.086 4.437 0.649 18179 9957 1 16 . 1 1 116 116 ALA C C 151 177.541 177.541 174.924 2.617 18179 9958 1 16 . 1 1 116 116 ALA CA C 151 51.614 51.614 51.126 0.488 18179 9959 1 16 . 1 1 116 116 ALA CB C 151 21.262 21.262 21.256 0.006 18179 9960 1 16 . 1 1 116 116 ALA H H 151 7.515 7.515 8.246 -0.731 18179 9961 1 16 . 1 1 117 117 TYR N N 152 115.287 115.287 115.064 0.223 18179 9962 1 16 . 1 1 117 117 TYR HA H 152 4.693 4.693 4.765 -0.072 18179 9963 1 16 . 1 1 117 117 TYR C C 152 173.749 173.749 174.858 -1.109 18179 9964 1 16 . 1 1 117 117 TYR CA C 152 58.142 58.142 56.417 1.724 18179 9965 1 16 . 1 1 117 117 TYR CB C 152 42.827 42.827 39.008 3.819 18179 9966 1 16 . 1 1 117 117 TYR H H 152 6.916 6.916 7.900 -0.984 18179 9967 1 16 . 1 1 118 118 GLU N N 153 122.624 122.624 121.924 0.700 18179 9968 1 16 . 1 1 118 118 GLU HA H 153 4.951 4.951 4.633 0.318 18179 9969 1 16 . 1 1 118 118 GLU C C 153 175.895 175.895 176.121 -0.226 18179 9970 1 16 . 1 1 118 118 GLU CA C 153 54.029 54.029 54.322 -0.293 18179 9971 1 16 . 1 1 118 118 GLU CB C 153 29.513 29.513 29.444 0.069 18179 9972 1 16 . 1 1 118 118 GLU H H 153 9.508 9.508 8.149 1.359 18179 9973 1 16 . 1 1 119 119 PRO HA H 154 4.119 4.119 4.343 -0.224 18179 9974 1 16 . 1 1 119 119 PRO C C 154 176.457 176.457 177.027 -0.570 18179 9975 1 16 . 1 1 119 119 PRO CA C 154 66.240 66.240 64.847 1.393 18179 9976 1 16 . 1 1 119 119 PRO CB C 154 31.682 31.682 31.622 0.060 18179 9977 1 16 . 1 1 120 120 ALA N N 155 114.721 114.721 119.023 -4.302 18179 9978 1 16 . 1 1 120 120 ALA HA H 155 4.372 4.372 4.207 0.165 18179 9979 1 16 . 1 1 120 120 ALA C C 155 178.528 178.528 178.527 0.001 18179 9980 1 16 . 1 1 120 120 ALA CA C 155 53.148 53.148 53.914 -0.766 18179 9981 1 16 . 1 1 120 120 ALA CB C 155 18.782 18.782 18.730 0.052 18179 9982 1 16 . 1 1 120 120 ALA H H 155 7.697 7.697 7.910 -0.213 18179 9983 1 16 . 1 1 121 121 ASP N N 156 117.502 117.502 117.424 0.078 18179 9984 1 16 . 1 1 121 121 ASP HA H 156 5.154 5.154 4.905 0.249 18179 9985 1 16 . 1 1 121 121 ASP C C 156 176.756 176.756 176.753 0.003 18179 9986 1 16 . 1 1 121 121 ASP CA C 156 54.742 54.742 53.362 1.380 18179 9987 1 16 . 1 1 121 121 ASP CB C 156 42.326 42.326 40.664 1.662 18179 9988 1 16 . 1 1 121 121 ASP H H 156 8.493 8.493 7.902 0.591 18179 9989 1 16 . 1 1 122 122 THR N N 157 111.372 111.372 115.156 -3.784 18179 9990 1 16 . 1 1 122 122 THR HA H 157 3.738 3.738 3.939 -0.201 18179 9991 1 16 . 1 1 122 122 THR C C 157 176.023 176.023 175.960 0.063 18179 9992 1 16 . 1 1 122 122 THR CA C 157 66.673 66.673 66.404 0.269 18179 9993 1 16 . 1 1 122 122 THR CB C 157 67.967 67.967 68.198 -0.231 18179 9994 1 16 . 1 1 122 122 THR H H 157 7.428 7.428 7.592 -0.164 18179 9995 1 16 . 1 1 123 123 ALA N N 158 123.853 123.853 123.349 0.504 18179 9996 1 16 . 1 1 123 123 ALA HA H 158 4.133 4.133 4.099 0.034 18179 9997 1 16 . 1 1 123 123 ALA C C 158 179.987 179.987 179.082 0.905 18179 9998 1 16 . 1 1 123 123 ALA CA C 158 55.545 55.545 54.885 0.660 18179 9999 1 16 . 1 1 123 123 ALA CB C 158 17.458 17.458 18.284 -0.826 18179 10000 1 16 . 1 1 123 123 ALA H H 158 8.663 8.663 8.443 0.220 18179 10001 1 16 . 1 1 124 124 LEU N N 159 121.199 121.199 119.999 1.200 18179 10002 1 16 . 1 1 124 124 LEU HA H 159 4.229 4.229 3.997 0.232 18179 10003 1 16 . 1 1 124 124 LEU C C 159 178.342 178.342 178.921 -0.579 18179 10004 1 16 . 1 1 124 124 LEU CA C 159 57.329 57.329 57.184 0.145 18179 10005 1 16 . 1 1 124 124 LEU CB C 159 41.956 41.956 41.704 0.252 18179 10006 1 16 . 1 1 124 124 LEU H H 159 7.444 7.444 7.704 -0.260 18179 10007 1 16 . 1 1 125 125 LEU N N 160 119.836 119.836 120.732 -0.896 18179 10008 1 16 . 1 1 125 125 LEU HA H 160 3.963 3.963 4.022 -0.059 18179 10009 1 16 . 1 1 125 125 LEU C C 160 178.168 178.168 178.492 -0.324 18179 10010 1 16 . 1 1 125 125 LEU CA C 160 58.475 58.475 58.147 0.328 18179 10011 1 16 . 1 1 125 125 LEU CB C 160 40.915 40.915 41.427 -0.512 18179 10012 1 16 . 1 1 125 125 LEU H H 160 8.430 8.430 8.627 -0.197 18179 10013 1 16 . 1 1 126 126 LEU N N 161 120.046 120.046 119.543 0.503 18179 10014 1 16 . 1 1 126 126 LEU HA H 161 4.000 4.000 3.969 0.032 18179 10015 1 16 . 1 1 126 126 LEU C C 161 178.848 178.848 178.063 0.785 18179 10016 1 16 . 1 1 126 126 LEU CA C 161 58.524 58.524 58.329 0.195 18179 10017 1 16 . 1 1 126 126 LEU CB C 161 42.005 42.005 41.371 0.634 18179 10018 1 16 . 1 1 126 126 LEU H H 161 8.127 8.127 7.810 0.317 18179 10019 1 16 . 1 1 127 127 ASP N N 162 119.057 119.057 119.153 -0.096 18179 10020 1 16 . 1 1 127 127 ASP HA H 162 4.267 4.267 4.179 0.088 18179 10021 1 16 . 1 1 127 127 ASP C C 162 179.299 179.299 178.553 0.746 18179 10022 1 16 . 1 1 127 127 ASP CA C 162 57.699 57.699 57.999 -0.300 18179 10023 1 16 . 1 1 127 127 ASP CB C 162 40.564 40.564 40.719 -0.155 18179 10024 1 16 . 1 1 127 127 ASP H H 162 7.872 7.872 8.677 -0.805 18179 10025 1 16 . 1 1 128 128 ASN N N 163 122.268 122.268 117.459 4.809 18179 10026 1 16 . 1 1 128 128 ASN HA H 163 4.423 4.423 4.462 -0.039 18179 10027 1 16 . 1 1 128 128 ASN C C 163 177.256 177.256 178.100 -0.844 18179 10028 1 16 . 1 1 128 128 ASN CA C 163 54.502 54.502 56.140 -1.638 18179 10029 1 16 . 1 1 128 128 ASN CB C 163 36.821 36.821 38.733 -1.912 18179 10030 1 16 . 1 1 128 128 ASN H H 163 8.711 8.711 8.370 0.341 18179 10031 1 16 . 1 1 129 129 MET N N 164 122.448 122.448 119.657 2.791 18179 10032 1 16 . 1 1 129 129 MET HA H 164 3.583 3.583 4.196 -0.613 18179 10033 1 16 . 1 1 129 129 MET C C 164 178.272 178.272 178.358 -0.086 18179 10034 1 16 . 1 1 129 129 MET CA C 164 59.617 59.617 59.241 0.376 18179 10035 1 16 . 1 1 129 129 MET CB C 164 34.481 34.481 33.185 1.296 18179 10036 1 16 . 1 1 129 129 MET H H 164 8.704 8.704 8.068 0.636 18179 10037 1 16 . 1 1 130 130 LYS N N 165 117.243 117.243 120.168 -2.925 18179 10038 1 16 . 1 1 130 130 LYS HA H 165 3.869 3.869 3.961 -0.092 18179 10039 1 16 . 1 1 130 130 LYS C C 165 180.050 180.050 179.376 0.674 18179 10040 1 16 . 1 1 130 130 LYS CA C 165 60.517 60.517 59.618 0.899 18179 10041 1 16 . 1 1 130 130 LYS CB C 165 31.836 31.836 32.388 -0.552 18179 10042 1 16 . 1 1 130 130 LYS H H 165 7.767 7.767 8.572 -0.805 18179 10043 1 16 . 1 1 131 131 LYS N N 166 120.486 120.486 118.685 1.801 18179 10044 1 16 . 1 1 131 131 LYS HA H 166 3.853 3.853 4.039 -0.186 18179 10045 1 16 . 1 1 131 131 LYS C C 166 179.232 179.232 178.491 0.741 18179 10046 1 16 . 1 1 131 131 LYS CA C 166 60.171 60.171 58.688 1.483 18179 10047 1 16 . 1 1 131 131 LYS CB C 166 32.783 32.783 32.239 0.544 18179 10048 1 16 . 1 1 131 131 LYS H H 166 7.914 7.914 8.026 -0.112 18179 10049 1 16 . 1 1 132 132 ALA N N 167 122.426 122.426 121.444 0.982 18179 10050 1 16 . 1 1 132 132 ALA HA H 167 3.625 3.625 3.155 0.470 18179 10051 1 16 . 1 1 132 132 ALA C C 167 177.616 177.616 178.379 -0.763 18179 10052 1 16 . 1 1 132 132 ALA CA C 167 54.246 54.246 53.870 0.376 18179 10053 1 16 . 1 1 132 132 ALA CB C 167 18.261 18.261 18.335 -0.074 18179 10054 1 16 . 1 1 132 132 ALA H H 167 7.801 7.801 7.431 0.370 18179 10055 1 16 . 1 1 133 133 LEU N N 168 113.735 113.735 117.223 -3.488 18179 10056 1 16 . 1 1 133 133 LEU HA H 168 3.747 3.747 4.187 -0.440 18179 10057 1 16 . 1 1 133 133 LEU C C 168 177.322 177.322 177.506 -0.184 18179 10058 1 16 . 1 1 133 133 LEU CA C 168 55.892 55.892 55.509 0.383 18179 10059 1 16 . 1 1 133 133 LEU CB C 168 42.159 42.159 40.864 1.295 18179 10060 1 16 . 1 1 133 133 LEU H H 168 7.010 7.010 7.453 -0.443 18179 10061 1 16 . 1 1 134 134 LYS N N 169 123.034 123.034 117.474 5.560 18179 10062 1 16 . 1 1 134 134 LYS HA H 169 4.331 4.331 4.137 0.194 18179 10063 1 16 . 1 1 134 134 LYS C C 169 174.307 174.307 176.475 -2.168 18179 10064 1 16 . 1 1 134 134 LYS CA C 169 55.382 55.382 56.215 -0.833 18179 10065 1 16 . 1 1 134 134 LYS CB C 169 29.718 29.718 32.255 -2.537 18179 10066 1 16 . 1 1 134 134 LYS H H 169 7.202 7.202 7.054 0.148 18179 10067 1 16 . 1 1 135 135 LEU N N 170 120.490 120.490 122.164 -1.674 18179 10068 1 16 . 1 1 135 135 LEU HA H 170 3.980 3.980 4.409 -0.428 18179 10069 1 16 . 1 1 135 135 LEU C C 170 178.427 178.427 177.291 1.136 18179 10070 1 16 . 1 1 135 135 LEU CA C 170 54.884 54.884 55.300 -0.416 18179 10071 1 16 . 1 1 135 135 LEU CB C 170 40.903 40.903 41.452 -0.549 18179 10072 1 16 . 1 1 135 135 LEU H H 170 7.334 7.334 7.305 0.029 18179 10073 1 16 . 1 1 136 136 LEU N N 171 120.084 120.084 127.156 -7.072 18179 10074 1 16 . 1 1 136 136 LEU HA H 171 4.040 4.040 4.116 -0.076 18179 10075 1 16 . 1 1 136 136 LEU C C 171 178.231 178.231 174.613 3.618 18179 10076 1 16 . 1 1 136 136 LEU CA C 171 55.750 55.750 55.709 0.041 18179 10077 1 16 . 1 1 136 136 LEU CB C 171 41.734 41.734 42.395 -0.661 18179 10078 1 16 . 1 1 136 136 LEU H H 171 8.614 8.614 8.396 0.218 18179 10079 1 16 . 1 1 137 137 LYS N N 172 121.059 121.059 124.775 -3.716 18179 10080 1 16 . 1 1 137 137 LYS HA H 172 4.333 4.333 4.592 -0.259 18179 10081 1 16 . 1 1 137 137 LYS C C 172 174.388 174.388 175.701 -1.313 18179 10082 1 16 . 1 1 137 137 LYS CA C 172 55.903 55.903 55.746 0.157 18179 10083 1 16 . 1 1 137 137 LYS CB C 172 32.681 32.681 32.841 -0.160 18179 10084 1 16 . 1 1 137 137 LYS H H 172 8.468 8.468 8.261 0.207 18179 10085 1 16 . 1 1 138 138 THR N N 173 116.267 116.267 118.055 -1.788 18179 10086 1 16 . 1 1 138 138 THR HA H 173 4.261 4.261 4.235 0.026 18179 10087 1 16 . 1 1 138 138 THR C C 173 174.267 174.267 173.795 0.472 18179 10088 1 16 . 1 1 138 138 THR CA C 173 61.867 61.867 62.940 -1.073 18179 10089 1 16 . 1 1 138 138 THR CB C 173 69.848 69.848 68.216 1.632 18179 10090 1 16 . 1 1 138 138 THR H H 173 8.095 8.095 8.275 -0.180 18179 10091 1 16 . 1 1 139 139 GLU N N 174 123.648 123.648 126.959 -3.311 18179 10092 1 16 . 1 1 139 139 GLU HA H 174 4.288 4.288 4.598 -0.310 18179 10093 1 16 . 1 1 139 139 GLU C C 174 175.178 175.178 175.070 0.108 18179 10094 1 16 . 1 1 139 139 GLU CA C 174 56.205 56.205 55.573 0.632 18179 10095 1 16 . 1 1 139 139 GLU CB C 174 30.353 30.353 30.809 -0.456 18179 10096 1 16 . 1 1 139 139 GLU H H 174 8.293 8.293 8.313 -0.020 18179 10097 1 17 . 1 1 17 17 LEU N N 52 120.529 120.529 119.852 0.677 18179 10098 1 17 . 1 1 17 17 LEU HA H 52 4.317 4.317 3.989 0.328 18179 10099 1 17 . 1 1 17 17 LEU CA C 52 53.456 53.456 55.184 -1.728 18179 10100 1 17 . 1 1 17 17 LEU CB C 52 42.494 42.494 41.753 0.741 18179 10101 1 17 . 1 1 17 17 LEU H H 52 7.103 7.103 8.490 -1.387 18179 10102 1 17 . 1 1 18 18 ILE CB C 53 36.458 36.458 41.334 -4.876 18179 10103 1 17 . 1 1 23 23 TYR HA H 58 4.359 4.359 4.018 0.341 18179 10104 1 17 . 1 1 23 23 TYR C C 58 176.387 176.387 177.128 -0.741 18179 10105 1 17 . 1 1 23 23 TYR CA C 58 59.597 59.597 63.329 -3.732 18179 10106 1 17 . 1 1 23 23 TYR CB C 58 38.572 38.572 38.821 -0.249 18179 10107 1 17 . 1 1 24 24 GLU N N 59 117.335 117.335 118.860 -1.525 18179 10108 1 17 . 1 1 24 24 GLU CA C 59 60.871 60.871 59.625 1.246 18179 10109 1 17 . 1 1 24 24 GLU CB C 59 28.494 28.494 29.537 -1.043 18179 10110 1 17 . 1 1 24 24 GLU H H 59 9.191 9.191 8.661 0.530 18179 10111 1 17 . 1 1 25 25 ALA N N 60 120.861 120.861 121.445 -0.584 18179 10112 1 17 . 1 1 25 25 ALA CA C 60 54.555 54.555 54.740 -0.185 18179 10113 1 17 . 1 1 25 25 ALA CB C 60 18.528 18.528 18.367 0.161 18179 10114 1 17 . 1 1 25 25 ALA H H 60 7.688 7.688 7.523 0.165 18179 10115 1 17 . 1 1 26 26 ALA N N 61 123.402 123.402 122.546 0.856 18179 10116 1 17 . 1 1 26 26 ALA HA H 61 3.900 3.900 3.969 -0.069 18179 10117 1 17 . 1 1 26 26 ALA CA C 61 55.346 55.346 55.279 0.067 18179 10118 1 17 . 1 1 26 26 ALA CB C 61 19.104 19.104 18.404 0.700 18179 10119 1 17 . 1 1 26 26 ALA H H 61 8.225 8.225 8.427 -0.202 18179 10120 1 17 . 1 1 27 27 LEU N N 62 118.742 118.742 119.574 -0.832 18179 10121 1 17 . 1 1 27 27 LEU HA H 62 3.700 3.700 3.931 -0.231 18179 10122 1 17 . 1 1 27 27 LEU C C 62 171.911 171.911 179.680 -7.769 18179 10123 1 17 . 1 1 27 27 LEU CA C 62 57.654 57.654 58.177 -0.523 18179 10124 1 17 . 1 1 27 27 LEU CB C 62 41.905 41.905 41.476 0.429 18179 10125 1 17 . 1 1 27 27 LEU H H 62 8.336 8.336 7.622 0.714 18179 10126 1 17 . 1 1 28 28 TYR N N 63 117.594 117.594 117.193 0.401 18179 10127 1 17 . 1 1 28 28 TYR HA H 63 4.007 4.007 4.080 -0.073 18179 10128 1 17 . 1 1 28 28 TYR C C 63 179.075 179.075 178.137 0.938 18179 10129 1 17 . 1 1 28 28 TYR CA C 63 61.769 61.769 61.639 0.130 18179 10130 1 17 . 1 1 28 28 TYR CB C 63 38.071 38.071 38.170 -0.099 18179 10131 1 17 . 1 1 28 28 TYR H H 63 7.279 7.279 7.696 -0.417 18179 10132 1 17 . 1 1 29 29 LYS N N 64 121.077 121.077 120.970 0.107 18179 10133 1 17 . 1 1 29 29 LYS HA H 64 3.663 3.663 4.011 -0.348 18179 10134 1 17 . 1 1 29 29 LYS C C 64 176.394 176.394 179.015 -2.621 18179 10135 1 17 . 1 1 29 29 LYS CA C 64 59.230 59.230 59.440 -0.210 18179 10136 1 17 . 1 1 29 29 LYS CB C 64 32.573 32.573 32.587 -0.014 18179 10137 1 17 . 1 1 29 29 LYS H H 64 8.472 8.472 8.065 0.407 18179 10138 1 17 . 1 1 30 30 SER N N 65 117.933 117.933 115.350 2.583 18179 10139 1 17 . 1 1 30 30 SER HA H 65 4.160 4.160 4.166 -0.006 18179 10140 1 17 . 1 1 30 30 SER C C 65 176.518 176.518 176.354 0.164 18179 10141 1 17 . 1 1 30 30 SER CA C 65 61.706 61.706 61.970 -0.264 18179 10142 1 17 . 1 1 30 30 SER CB C 65 64.022 64.022 62.574 1.448 18179 10143 1 17 . 1 1 30 30 SER H H 65 8.500 8.500 8.641 -0.141 18179 10144 1 17 . 1 1 31 31 LYS N N 66 117.248 117.248 122.373 -5.125 18179 10145 1 17 . 1 1 31 31 LYS HA H 66 4.301 4.301 4.271 0.030 18179 10146 1 17 . 1 1 31 31 LYS C C 66 179.721 179.721 179.359 0.362 18179 10147 1 17 . 1 1 31 31 LYS CA C 66 59.165 59.165 59.129 0.036 18179 10148 1 17 . 1 1 31 31 LYS CB C 66 32.372 32.372 32.261 0.111 18179 10149 1 17 . 1 1 31 31 LYS H H 66 8.020 8.020 7.829 0.191 18179 10150 1 17 . 1 1 32 32 THR N N 67 109.772 109.772 109.591 0.181 18179 10151 1 17 . 1 1 32 32 THR HA H 67 3.883 3.883 4.330 -0.447 18179 10152 1 17 . 1 1 32 32 THR C C 67 176.237 176.237 175.628 0.609 18179 10153 1 17 . 1 1 32 32 THR CA C 67 64.813 64.813 64.311 0.503 18179 10154 1 17 . 1 1 32 32 THR CB C 67 69.445 69.445 68.781 0.663 18179 10155 1 17 . 1 1 32 32 THR H H 67 7.844 7.844 7.782 0.062 18179 10156 1 17 . 1 1 33 33 SER N N 68 115.610 115.610 115.234 0.376 18179 10157 1 17 . 1 1 33 33 SER HA H 68 4.369 4.369 4.530 -0.161 18179 10158 1 17 . 1 1 33 33 SER C C 68 174.628 174.628 174.088 0.540 18179 10159 1 17 . 1 1 33 33 SER CA C 68 59.242 59.242 58.003 1.239 18179 10160 1 17 . 1 1 33 33 SER CB C 68 65.166 65.166 64.101 1.065 18179 10161 1 17 . 1 1 33 33 SER H H 68 8.047 8.047 7.507 0.540 18179 10162 1 17 . 1 1 34 34 ASN N N 69 110.215 110.215 116.919 -6.704 18179 10163 1 17 . 1 1 34 34 ASN HA H 69 4.181 4.181 4.404 -0.223 18179 10164 1 17 . 1 1 34 34 ASN C C 69 173.253 173.253 174.586 -1.333 18179 10165 1 17 . 1 1 34 34 ASN CA C 69 54.302 54.302 54.498 -0.196 18179 10166 1 17 . 1 1 34 34 ASN CB C 69 38.506 38.506 36.644 1.862 18179 10167 1 17 . 1 1 34 34 ASN H H 69 8.061 8.061 7.827 0.234 18179 10168 1 17 . 1 1 35 35 LYS N N 70 117.312 117.312 119.483 -2.171 18179 10169 1 17 . 1 1 35 35 LYS HA H 70 4.676 4.676 4.724 -0.048 18179 10170 1 17 . 1 1 35 35 LYS CA C 70 53.385 53.385 53.928 -0.543 18179 10171 1 17 . 1 1 35 35 LYS CB C 70 34.049 34.049 32.327 1.722 18179 10172 1 17 . 1 1 35 35 LYS H H 70 7.589 7.589 7.875 -0.286 18179 10173 1 17 . 1 1 36 36 PRO HA H 71 4.371 4.371 4.284 0.087 18179 10174 1 17 . 1 1 36 36 PRO C C 71 172.189 172.189 175.884 -3.695 18179 10175 1 17 . 1 1 36 36 PRO CA C 71 62.356 62.356 63.964 -1.608 18179 10176 1 17 . 1 1 36 36 PRO CB C 71 31.785 31.785 32.180 -0.395 18179 10177 1 17 . 1 1 37 37 LEU N N 72 122.894 122.894 125.183 -2.289 18179 10178 1 17 . 1 1 37 37 LEU HA H 72 5.392 5.392 4.597 0.795 18179 10179 1 17 . 1 1 37 37 LEU C C 72 174.422 174.422 175.412 -0.990 18179 10180 1 17 . 1 1 37 37 LEU CA C 72 52.656 52.656 53.697 -1.040 18179 10181 1 17 . 1 1 37 37 LEU CB C 72 45.220 45.220 42.441 2.779 18179 10182 1 17 . 1 1 37 37 LEU H H 72 8.936 8.936 8.051 0.885 18179 10183 1 17 . 1 1 38 38 MET N N 73 128.922 128.922 123.684 5.238 18179 10184 1 17 . 1 1 38 38 MET C C 73 172.488 172.488 175.019 -2.531 18179 10185 1 17 . 1 1 38 38 MET CA C 73 54.806 54.806 53.399 1.407 18179 10186 1 17 . 1 1 38 38 MET CB C 73 35.127 35.127 33.368 1.759 18179 10187 1 17 . 1 1 38 38 MET H H 73 8.965 8.965 8.399 0.566 18179 10188 1 17 . 1 1 39 39 ILE N N 74 124.016 124.016 126.183 -2.167 18179 10189 1 17 . 1 1 39 39 ILE HA H 74 4.819 4.819 4.234 0.585 18179 10190 1 17 . 1 1 39 39 ILE C C 74 175.018 175.018 174.471 0.547 18179 10191 1 17 . 1 1 39 39 ILE CA C 74 59.688 59.688 59.342 0.346 18179 10192 1 17 . 1 1 39 39 ILE CB C 74 40.407 40.407 36.880 3.526 18179 10193 1 17 . 1 1 39 39 ILE H H 74 8.727 8.727 8.492 0.235 18179 10194 1 17 . 1 1 40 40 ILE N N 75 126.837 126.837 129.497 -2.660 18179 10195 1 17 . 1 1 40 40 ILE HA H 75 4.038 4.038 4.717 -0.679 18179 10196 1 17 . 1 1 40 40 ILE C C 75 175.282 175.282 174.525 0.757 18179 10197 1 17 . 1 1 40 40 ILE CA C 75 60.408 60.408 59.830 0.578 18179 10198 1 17 . 1 1 40 40 ILE CB C 75 40.028 40.028 40.409 -0.381 18179 10199 1 17 . 1 1 40 40 ILE H H 75 8.587 8.587 8.247 0.340 18179 10200 1 17 . 1 1 41 41 HIS N N 76 128.633 128.633 123.748 4.885 18179 10201 1 17 . 1 1 41 41 HIS CA C 76 56.453 56.453 53.774 2.679 18179 10202 1 17 . 1 1 41 41 HIS CB C 76 29.368 29.368 32.843 -3.474 18179 10203 1 17 . 1 1 41 41 HIS H H 76 9.145 9.145 8.181 0.964 18179 10204 1 17 . 1 1 42 42 HIS HA H 77 4.822 4.822 4.753 0.069 18179 10205 1 17 . 1 1 42 42 HIS C C 77 170.942 170.942 172.848 -1.906 18179 10206 1 17 . 1 1 42 42 HIS CA C 77 54.441 54.441 54.685 -0.244 18179 10207 1 17 . 1 1 42 42 HIS CB C 77 34.768 34.768 32.080 2.688 18179 10208 1 17 . 1 1 43 43 LEU N N 78 114.526 114.526 121.728 -7.202 18179 10209 1 17 . 1 1 43 43 LEU HA H 78 4.540 4.540 4.619 -0.079 18179 10210 1 17 . 1 1 43 43 LEU C C 78 177.855 177.855 177.021 0.834 18179 10211 1 17 . 1 1 43 43 LEU CA C 78 54.020 54.020 53.602 0.418 18179 10212 1 17 . 1 1 43 43 LEU CB C 78 46.643 46.643 44.861 1.782 18179 10213 1 17 . 1 1 43 43 LEU H H 78 7.077 7.077 8.237 -1.160 18179 10214 1 17 . 1 1 44 44 ASP N N 79 123.675 123.675 124.575 -0.900 18179 10215 1 17 . 1 1 44 44 ASP HA H 79 4.452 4.452 4.377 0.075 18179 10216 1 17 . 1 1 44 44 ASP C C 79 177.872 177.872 175.724 2.148 18179 10217 1 17 . 1 1 44 44 ASP CA C 79 57.458 57.458 55.935 1.523 18179 10218 1 17 . 1 1 44 44 ASP CB C 79 40.739 40.739 41.316 -0.577 18179 10219 1 17 . 1 1 44 44 ASP H H 79 8.783 8.783 8.834 -0.051 18179 10220 1 17 . 1 1 45 45 GLU N N 80 115.578 115.578 116.689 -1.111 18179 10221 1 17 . 1 1 45 45 GLU HA H 80 4.156 4.156 4.093 0.063 18179 10222 1 17 . 1 1 45 45 GLU C C 80 175.108 175.108 176.754 -1.646 18179 10223 1 17 . 1 1 45 45 GLU CA C 80 56.661 56.661 57.309 -0.648 18179 10224 1 17 . 1 1 45 45 GLU CB C 80 28.604 28.604 29.290 -0.686 18179 10225 1 17 . 1 1 45 45 GLU H H 80 9.146 9.146 8.005 1.141 18179 10226 1 17 . 1 1 46 46 CYS N N 81 125.642 125.642 120.322 5.320 18179 10227 1 17 . 1 1 46 46 CYS HA H 81 4.814 4.814 4.604 0.210 18179 10228 1 17 . 1 1 46 46 CYS C C 81 175.453 175.453 172.995 2.458 18179 10229 1 17 . 1 1 46 46 CYS CA C 81 56.298 56.298 56.394 -0.096 18179 10230 1 17 . 1 1 46 46 CYS CB C 81 30.378 30.378 25.948 4.430 18179 10231 1 17 . 1 1 46 46 CYS H H 81 7.146 7.146 7.404 -0.258 18179 10232 1 17 . 1 1 47 47 PRO HA H 82 4.311 4.311 4.191 0.120 18179 10233 1 17 . 1 1 47 47 PRO CA C 82 64.536 64.536 63.641 0.895 18179 10234 1 17 . 1 1 47 47 PRO CB C 82 32.069 32.069 31.889 0.180 18179 10235 1 17 . 1 1 48 48 HIS N N 83 124.416 124.416 123.359 1.057 18179 10236 1 17 . 1 1 48 48 HIS HA H 83 4.511 4.511 4.312 0.199 18179 10237 1 17 . 1 1 48 48 HIS C C 83 178.820 178.820 177.309 1.511 18179 10238 1 17 . 1 1 48 48 HIS CA C 83 59.042 59.042 56.894 2.148 18179 10239 1 17 . 1 1 48 48 HIS CB C 83 28.921 28.921 30.040 -1.119 18179 10240 1 17 . 1 1 48 48 HIS H H 83 8.936 8.936 8.417 0.519 18179 10241 1 17 . 1 1 49 49 SER N N 84 129.973 129.973 118.547 11.426 18179 10242 1 17 . 1 1 49 49 SER HA H 84 4.152 4.152 3.998 0.154 18179 10243 1 17 . 1 1 49 49 SER C C 84 175.397 175.397 175.758 -0.361 18179 10244 1 17 . 1 1 49 49 SER CA C 84 63.873 63.873 61.192 2.681 18179 10245 1 17 . 1 1 49 49 SER CB C 84 65.516 65.516 62.300 3.216 18179 10246 1 17 . 1 1 49 49 SER H H 84 11.408 11.408 8.952 2.456 18179 10247 1 17 . 1 1 50 50 GLN N N 85 118.214 118.214 120.557 -2.343 18179 10248 1 17 . 1 1 50 50 GLN HA H 85 3.701 3.701 4.067 -0.366 18179 10249 1 17 . 1 1 50 50 GLN C C 85 178.213 178.213 177.804 0.409 18179 10250 1 17 . 1 1 50 50 GLN CA C 85 58.201 58.201 58.532 -0.331 18179 10251 1 17 . 1 1 50 50 GLN CB C 85 27.294 27.294 27.813 -0.519 18179 10252 1 17 . 1 1 50 50 GLN H H 85 8.192 8.192 8.126 0.066 18179 10253 1 17 . 1 1 51 51 ALA N N 86 121.790 121.790 122.419 -0.629 18179 10254 1 17 . 1 1 51 51 ALA HA H 86 4.099 4.099 4.140 -0.041 18179 10255 1 17 . 1 1 51 51 ALA C C 86 180.512 180.512 179.477 1.035 18179 10256 1 17 . 1 1 51 51 ALA CA C 86 54.742 54.742 54.724 0.018 18179 10257 1 17 . 1 1 51 51 ALA CB C 86 18.559 18.559 18.358 0.201 18179 10258 1 17 . 1 1 51 51 ALA H H 86 7.748 7.748 7.987 -0.239 18179 10259 1 17 . 1 1 52 52 LEU N N 87 118.528 118.528 118.613 -0.085 18179 10260 1 17 . 1 1 52 52 LEU HA H 87 4.076 4.076 4.056 0.020 18179 10261 1 17 . 1 1 52 52 LEU CA C 87 57.266 57.266 57.906 -0.640 18179 10262 1 17 . 1 1 52 52 LEU CB C 87 41.947 41.947 41.538 0.409 18179 10263 1 17 . 1 1 52 52 LEU H H 87 7.918 7.918 7.688 0.230 18179 10264 1 17 . 1 1 53 53 LYS N N 88 120.398 120.398 119.479 0.919 18179 10265 1 17 . 1 1 53 53 LYS H H 88 7.932 7.932 8.254 -0.322 18179 10266 1 17 . 1 1 54 54 LYS N N 89 115.219 115.219 119.883 -4.664 18179 10267 1 17 . 1 1 54 54 LYS HA H 89 3.790 3.790 4.110 -0.320 18179 10268 1 17 . 1 1 54 54 LYS C C 89 178.614 178.614 178.793 -0.179 18179 10269 1 17 . 1 1 54 54 LYS CA C 89 59.308 59.308 58.948 0.360 18179 10270 1 17 . 1 1 54 54 LYS CB C 89 32.530 32.530 31.944 0.586 18179 10271 1 17 . 1 1 54 54 LYS H H 89 6.889 6.889 7.518 -0.629 18179 10272 1 17 . 1 1 55 55 VAL N N 90 110.991 110.991 119.372 -8.381 18179 10273 1 17 . 1 1 55 55 VAL HA H 90 4.049 4.049 3.741 0.308 18179 10274 1 17 . 1 1 55 55 VAL C C 90 178.054 178.054 177.506 0.548 18179 10275 1 17 . 1 1 55 55 VAL CA C 90 64.467 64.467 65.422 -0.955 18179 10276 1 17 . 1 1 55 55 VAL CB C 90 31.625 31.625 31.756 -0.131 18179 10277 1 17 . 1 1 55 55 VAL H H 90 6.748 6.748 7.321 -0.573 18179 10278 1 17 . 1 1 56 56 PHE N N 91 124.010 124.010 120.746 3.264 18179 10279 1 17 . 1 1 56 56 PHE HA H 91 3.829 3.829 4.050 -0.221 18179 10280 1 17 . 1 1 56 56 PHE C C 91 177.496 177.496 175.766 1.730 18179 10281 1 17 . 1 1 56 56 PHE CA C 91 61.854 61.854 61.422 0.432 18179 10282 1 17 . 1 1 56 56 PHE CB C 91 41.828 41.828 39.178 2.651 18179 10283 1 17 . 1 1 56 56 PHE H H 91 8.722 8.722 8.494 0.228 18179 10284 1 17 . 1 1 57 57 ALA N N 92 118.444 118.444 118.533 -0.089 18179 10285 1 17 . 1 1 57 57 ALA HA H 92 4.185 4.185 4.018 0.167 18179 10286 1 17 . 1 1 57 57 ALA C C 92 180.660 180.660 178.900 1.760 18179 10287 1 17 . 1 1 57 57 ALA CA C 92 54.288 54.288 53.819 0.469 18179 10288 1 17 . 1 1 57 57 ALA CB C 92 18.487 18.487 18.936 -0.449 18179 10289 1 17 . 1 1 57 57 ALA H H 92 8.695 8.695 8.023 0.672 18179 10290 1 17 . 1 1 58 58 GLU N N 93 112.263 112.263 118.527 -6.264 18179 10291 1 17 . 1 1 58 58 GLU HA H 93 4.156 4.156 4.178 -0.022 18179 10292 1 17 . 1 1 58 58 GLU C C 93 175.641 175.641 176.280 -0.639 18179 10293 1 17 . 1 1 58 58 GLU CA C 93 55.883 55.883 57.666 -1.783 18179 10294 1 17 . 1 1 58 58 GLU CB C 93 30.495 30.495 30.173 0.322 18179 10295 1 17 . 1 1 58 58 GLU H H 93 7.108 7.108 7.913 -0.805 18179 10296 1 17 . 1 1 59 59 ASN N N 94 120.422 120.422 117.652 2.770 18179 10297 1 17 . 1 1 59 59 ASN HA H 94 4.590 4.590 4.913 -0.323 18179 10298 1 17 . 1 1 59 59 ASN C C 94 174.151 174.151 175.611 -1.460 18179 10299 1 17 . 1 1 59 59 ASN CA C 94 54.056 54.056 52.134 1.922 18179 10300 1 17 . 1 1 59 59 ASN CB C 94 38.723 38.723 40.267 -1.544 18179 10301 1 17 . 1 1 59 59 ASN H H 94 7.269 7.269 7.783 -0.514 18179 10302 1 17 . 1 1 60 60 LYS N N 95 127.497 127.497 122.189 5.308 18179 10303 1 17 . 1 1 60 60 LYS HA H 95 3.770 3.770 4.142 -0.372 18179 10304 1 17 . 1 1 60 60 LYS C C 95 178.959 178.959 177.603 1.356 18179 10305 1 17 . 1 1 60 60 LYS CA C 95 59.337 59.337 57.879 1.458 18179 10306 1 17 . 1 1 60 60 LYS CB C 95 32.170 32.170 32.569 -0.399 18179 10307 1 17 . 1 1 60 60 LYS H H 95 8.672 8.672 8.669 0.003 18179 10308 1 17 . 1 1 61 61 GLU N N 96 119.409 119.409 119.356 0.053 18179 10309 1 17 . 1 1 61 61 GLU HA H 96 3.984 3.984 4.072 -0.088 18179 10310 1 17 . 1 1 61 61 GLU C C 96 179.574 179.574 178.734 0.840 18179 10311 1 17 . 1 1 61 61 GLU CA C 96 59.955 59.955 59.714 0.241 18179 10312 1 17 . 1 1 61 61 GLU CB C 96 29.246 29.246 28.878 0.367 18179 10313 1 17 . 1 1 61 61 GLU H H 96 7.988 7.988 8.383 -0.395 18179 10314 1 17 . 1 1 62 62 ILE N N 97 122.621 122.621 118.698 3.923 18179 10315 1 17 . 1 1 62 62 ILE HA H 97 3.224 3.224 3.903 -0.679 18179 10316 1 17 . 1 1 62 62 ILE C C 97 177.158 177.158 177.765 -0.607 18179 10317 1 17 . 1 1 62 62 ILE CA C 97 65.787 65.787 64.497 1.290 18179 10318 1 17 . 1 1 62 62 ILE CB C 97 37.710 37.710 37.803 -0.093 18179 10319 1 17 . 1 1 62 62 ILE H H 97 8.484 8.484 7.552 0.932 18179 10320 1 17 . 1 1 63 63 GLN N N 98 115.619 115.619 119.371 -3.752 18179 10321 1 17 . 1 1 63 63 GLN HA H 98 3.481 3.481 3.350 0.131 18179 10322 1 17 . 1 1 63 63 GLN C C 98 178.097 178.097 178.082 0.015 18179 10323 1 17 . 1 1 63 63 GLN CA C 98 58.601 58.601 58.581 0.020 18179 10324 1 17 . 1 1 63 63 GLN CB C 98 28.834 28.834 27.949 0.885 18179 10325 1 17 . 1 1 63 63 GLN H H 98 8.046 8.046 7.548 0.498 18179 10326 1 17 . 1 1 64 64 LYS N N 99 116.464 116.464 118.141 -1.677 18179 10327 1 17 . 1 1 64 64 LYS HA H 99 4.125 4.125 3.995 0.130 18179 10328 1 17 . 1 1 64 64 LYS C C 99 179.740 179.740 179.072 0.668 18179 10329 1 17 . 1 1 64 64 LYS CA C 99 57.955 57.955 58.770 -0.815 18179 10330 1 17 . 1 1 64 64 LYS CB C 99 32.054 32.054 32.319 -0.265 18179 10331 1 17 . 1 1 64 64 LYS H H 99 7.578 7.578 7.847 -0.269 18179 10332 1 17 . 1 1 65 65 LEU N N 100 122.576 122.576 120.632 1.944 18179 10333 1 17 . 1 1 65 65 LEU HA H 100 4.128 4.128 4.125 0.003 18179 10334 1 17 . 1 1 65 65 LEU C C 100 178.481 178.481 177.831 0.650 18179 10335 1 17 . 1 1 65 65 LEU CA C 100 57.044 57.044 57.440 -0.396 18179 10336 1 17 . 1 1 65 65 LEU CB C 100 41.883 41.883 41.987 -0.104 18179 10337 1 17 . 1 1 65 65 LEU H H 100 7.916 7.916 7.366 0.550 18179 10338 1 17 . 1 1 66 66 ALA N N 101 119.534 119.534 119.635 -0.101 18179 10339 1 17 . 1 1 66 66 ALA HA H 101 3.810 3.810 1.904 1.906 18179 10340 1 17 . 1 1 66 66 ALA C C 101 177.520 177.520 178.625 -1.105 18179 10341 1 17 . 1 1 66 66 ALA CA C 101 54.772 54.772 53.794 0.978 18179 10342 1 17 . 1 1 66 66 ALA CB C 101 17.737 17.737 17.849 -0.112 18179 10343 1 17 . 1 1 66 66 ALA H H 101 8.511 8.511 7.526 0.985 18179 10344 1 17 . 1 1 67 67 GLU N N 102 113.081 113.081 118.083 -5.002 18179 10345 1 17 . 1 1 67 67 GLU HA H 102 4.113 4.113 3.998 0.115 18179 10346 1 17 . 1 1 67 67 GLU C C 102 178.295 178.295 177.857 0.438 18179 10347 1 17 . 1 1 67 67 GLU CA C 102 58.285 58.285 59.089 -0.804 18179 10348 1 17 . 1 1 67 67 GLU CB C 102 29.952 29.952 29.475 0.477 18179 10349 1 17 . 1 1 67 67 GLU H H 102 7.039 7.039 7.667 -0.628 18179 10350 1 17 . 1 1 68 68 GLN N N 103 116.244 116.244 116.282 -0.038 18179 10351 1 17 . 1 1 68 68 GLN HA H 103 4.107 4.107 4.203 -0.096 18179 10352 1 17 . 1 1 68 68 GLN C C 103 173.173 173.173 176.003 -2.830 18179 10353 1 17 . 1 1 68 68 GLN CA C 103 56.094 56.094 56.913 -0.819 18179 10354 1 17 . 1 1 68 68 GLN CB C 103 28.703 28.703 29.602 -0.899 18179 10355 1 17 . 1 1 68 68 GLN H H 103 8.167 8.167 7.548 0.619 18179 10356 1 17 . 1 1 69 69 PHE N N 104 116.822 116.822 114.555 2.267 18179 10357 1 17 . 1 1 69 69 PHE HA H 104 4.645 4.645 5.270 -0.625 18179 10358 1 17 . 1 1 69 69 PHE C C 104 177.346 177.346 174.769 2.577 18179 10359 1 17 . 1 1 69 69 PHE CA C 104 57.254 57.254 54.595 2.659 18179 10360 1 17 . 1 1 69 69 PHE CB C 104 40.897 40.897 41.168 -0.271 18179 10361 1 17 . 1 1 69 69 PHE H H 104 7.633 7.633 6.875 0.758 18179 10362 1 17 . 1 1 70 70 VAL N N 105 120.799 120.799 120.643 0.156 18179 10363 1 17 . 1 1 70 70 VAL HA H 105 3.867 3.867 4.251 -0.384 18179 10364 1 17 . 1 1 70 70 VAL C C 105 174.191 174.191 174.937 -0.746 18179 10365 1 17 . 1 1 70 70 VAL CA C 105 63.450 63.450 62.140 1.310 18179 10366 1 17 . 1 1 70 70 VAL CB C 105 31.566 31.566 32.754 -1.188 18179 10367 1 17 . 1 1 70 70 VAL H H 105 8.943 8.943 8.207 0.736 18179 10368 1 17 . 1 1 71 71 LEU N N 106 129.105 129.105 128.830 0.275 18179 10369 1 17 . 1 1 71 71 LEU HA H 106 4.850 4.850 4.782 0.068 18179 10370 1 17 . 1 1 71 71 LEU CA C 106 53.854 53.854 53.982 -0.128 18179 10371 1 17 . 1 1 71 71 LEU CB C 106 44.478 44.478 44.055 0.423 18179 10372 1 17 . 1 1 71 71 LEU H H 106 8.432 8.432 8.466 -0.034 18179 10373 1 17 . 1 1 72 72 LEU N N 107 123.682 123.682 125.864 -2.182 18179 10374 1 17 . 1 1 72 72 LEU H H 107 8.298 8.298 8.007 0.291 18179 10375 1 17 . 1 1 73 73 ASN N N 108 125.520 125.520 119.872 5.648 18179 10376 1 17 . 1 1 73 73 ASN CA C 108 51.631 51.631 54.191 -2.560 18179 10377 1 17 . 1 1 73 73 ASN CB C 108 41.484 41.484 39.379 2.105 18179 10378 1 17 . 1 1 73 73 ASN H H 108 9.761 9.761 8.699 1.062 18179 10379 1 17 . 1 1 74 74 LEU N N 109 122.070 122.070 117.400 4.670 18179 10380 1 17 . 1 1 74 74 LEU H H 109 8.563 8.563 7.689 0.874 18179 10381 1 17 . 1 1 75 75 VAL HA H 110 5.100 5.100 4.192 0.908 18179 10382 1 17 . 1 1 75 75 VAL CA C 110 59.157 59.157 62.868 -3.711 18179 10383 1 17 . 1 1 76 76 TYR N N 111 120.641 120.641 117.667 2.974 18179 10384 1 17 . 1 1 76 76 TYR HA H 111 4.569 4.569 4.142 0.427 18179 10385 1 17 . 1 1 76 76 TYR C C 111 175.393 175.393 175.872 -0.479 18179 10386 1 17 . 1 1 76 76 TYR CA C 111 57.736 57.736 58.964 -1.228 18179 10387 1 17 . 1 1 76 76 TYR CB C 111 39.426 39.426 37.377 2.049 18179 10388 1 17 . 1 1 76 76 TYR H H 111 8.255 8.255 7.758 0.497 18179 10389 1 17 . 1 1 79 79 THR HA H 114 4.180 4.180 3.995 0.185 18179 10390 1 17 . 1 1 79 79 THR CA C 114 61.295 61.295 61.507 -0.212 18179 10391 1 17 . 1 1 79 79 THR CB C 114 68.683 68.683 69.584 -0.901 18179 10392 1 17 . 1 1 80 80 ASP N N 115 121.026 121.026 123.790 -2.764 18179 10393 1 17 . 1 1 80 80 ASP C C 115 177.959 177.959 176.779 1.180 18179 10394 1 17 . 1 1 80 80 ASP CA C 115 53.276 53.276 53.949 -0.673 18179 10395 1 17 . 1 1 80 80 ASP H H 115 7.746 7.746 7.756 -0.010 18179 10396 1 17 . 1 1 81 81 LYS N N 116 129.056 129.056 126.170 2.886 18179 10397 1 17 . 1 1 81 81 LYS HA H 116 3.828 3.828 3.981 -0.153 18179 10398 1 17 . 1 1 81 81 LYS C C 116 179.118 179.118 178.180 0.938 18179 10399 1 17 . 1 1 81 81 LYS CA C 116 57.957 57.957 58.526 -0.569 18179 10400 1 17 . 1 1 81 81 LYS CB C 116 31.273 31.273 32.519 -1.246 18179 10401 1 17 . 1 1 81 81 LYS H H 116 8.873 8.873 8.712 0.161 18179 10402 1 17 . 1 1 82 82 HIS N N 117 116.887 116.887 118.553 -1.666 18179 10403 1 17 . 1 1 82 82 HIS HA H 117 4.290 4.290 4.285 0.005 18179 10404 1 17 . 1 1 82 82 HIS C C 117 175.622 175.622 176.521 -0.899 18179 10405 1 17 . 1 1 82 82 HIS CA C 117 57.865 57.865 59.412 -1.547 18179 10406 1 17 . 1 1 82 82 HIS CB C 117 27.704 27.704 29.674 -1.970 18179 10407 1 17 . 1 1 82 82 HIS H H 117 8.707 8.707 8.241 0.466 18179 10408 1 17 . 1 1 83 83 LEU N N 118 113.733 113.733 119.770 -6.037 18179 10409 1 17 . 1 1 83 83 LEU HA H 118 4.290 4.290 4.416 -0.126 18179 10410 1 17 . 1 1 83 83 LEU C C 118 175.949 175.949 176.546 -0.597 18179 10411 1 17 . 1 1 83 83 LEU CA C 118 53.982 53.982 56.588 -2.606 18179 10412 1 17 . 1 1 83 83 LEU CB C 118 41.734 41.734 43.079 -1.345 18179 10413 1 17 . 1 1 83 83 LEU H H 118 7.332 7.332 8.668 -1.336 18179 10414 1 17 . 1 1 84 84 SER N N 119 111.979 111.979 111.782 0.197 18179 10415 1 17 . 1 1 84 84 SER HA H 119 4.632 4.632 4.318 0.314 18179 10416 1 17 . 1 1 84 84 SER C C 119 173.830 173.830 172.353 1.477 18179 10417 1 17 . 1 1 84 84 SER CA C 119 55.581 55.581 58.444 -2.863 18179 10418 1 17 . 1 1 84 84 SER CB C 119 62.367 62.367 61.579 0.788 18179 10419 1 17 . 1 1 84 84 SER H H 119 7.268 7.268 7.800 -0.532 18179 10420 1 17 . 1 1 85 85 PRO HA H 120 4.384 4.384 4.406 -0.022 18179 10421 1 17 . 1 1 85 85 PRO C C 120 177.881 177.881 175.888 1.993 18179 10422 1 17 . 1 1 85 85 PRO CA C 120 65.292 65.292 63.680 1.612 18179 10423 1 17 . 1 1 85 85 PRO CB C 120 31.942 31.942 32.037 -0.095 18179 10424 1 17 . 1 1 86 86 ASP N N 121 117.614 117.614 118.348 -0.734 18179 10425 1 17 . 1 1 86 86 ASP HA H 121 4.960 4.960 4.884 0.076 18179 10426 1 17 . 1 1 86 86 ASP C C 121 174.734 174.734 176.447 -1.713 18179 10427 1 17 . 1 1 86 86 ASP CA C 121 51.999 51.999 54.030 -2.031 18179 10428 1 17 . 1 1 86 86 ASP CB C 121 40.327 40.327 40.223 0.104 18179 10429 1 17 . 1 1 86 86 ASP H H 121 8.882 8.882 8.138 0.744 18179 10430 1 17 . 1 1 87 87 GLY N N 122 106.815 106.815 106.981 -0.166 18179 10431 1 17 . 1 1 87 87 GLY C C 122 173.401 173.401 174.741 -1.340 18179 10432 1 17 . 1 1 87 87 GLY CA C 122 43.814 43.814 45.888 -2.074 18179 10433 1 17 . 1 1 87 87 GLY H H 122 6.973 6.973 8.337 -1.364 18179 10434 1 17 . 1 1 88 88 GLN N N 123 118.319 118.319 117.472 0.847 18179 10435 1 17 . 1 1 88 88 GLN HA H 123 3.984 3.984 4.485 -0.501 18179 10436 1 17 . 1 1 88 88 GLN C C 123 174.141 174.141 175.043 -0.902 18179 10437 1 17 . 1 1 88 88 GLN CA C 123 54.717 54.717 56.211 -1.494 18179 10438 1 17 . 1 1 88 88 GLN CB C 123 27.267 27.267 30.775 -3.508 18179 10439 1 17 . 1 1 88 88 GLN H H 123 8.224 8.224 8.068 0.156 18179 10440 1 17 . 1 1 89 89 TYR N N 124 117.220 117.220 116.585 0.635 18179 10441 1 17 . 1 1 89 89 TYR HA H 124 4.596 4.596 4.523 0.073 18179 10442 1 17 . 1 1 89 89 TYR C C 124 173.402 173.402 174.593 -1.191 18179 10443 1 17 . 1 1 89 89 TYR CA C 124 54.672 54.672 57.770 -3.098 18179 10444 1 17 . 1 1 89 89 TYR CB C 124 38.970 38.970 39.395 -0.425 18179 10445 1 17 . 1 1 89 89 TYR H H 124 5.954 5.954 7.568 -1.614 18179 10446 1 17 . 1 1 90 90 VAL N N 125 109.249 109.249 119.282 -10.033 18179 10447 1 17 . 1 1 90 90 VAL HA H 125 4.572 4.572 4.072 0.499 18179 10448 1 17 . 1 1 90 90 VAL C C 125 173.254 173.254 174.282 -1.028 18179 10449 1 17 . 1 1 90 90 VAL CA C 125 57.982 57.982 64.003 -6.021 18179 10450 1 17 . 1 1 90 90 VAL CB C 125 35.376 35.376 30.255 5.121 18179 10451 1 17 . 1 1 90 90 VAL H H 125 8.303 8.303 7.958 0.345 18179 10452 1 17 . 1 1 92 92 ARG HA H 127 5.178 5.178 4.701 0.477 18179 10453 1 17 . 1 1 92 92 ARG CA C 127 55.689 55.689 54.087 1.601 18179 10454 1 17 . 1 1 93 93 ILE N N 128 127.696 127.696 127.105 0.591 18179 10455 1 17 . 1 1 93 93 ILE HA H 128 5.088 5.088 4.200 0.888 18179 10456 1 17 . 1 1 93 93 ILE CA C 128 61.063 61.063 61.225 -0.162 18179 10457 1 17 . 1 1 93 93 ILE CB C 128 39.101 39.101 37.751 1.350 18179 10458 1 17 . 1 1 93 93 ILE H H 128 9.099 9.099 8.793 0.306 18179 10459 1 17 . 1 1 94 94 MET N N 129 122.683 122.683 128.591 -5.908 18179 10460 1 17 . 1 1 94 94 MET C C 129 174.006 174.006 174.223 -0.217 18179 10461 1 17 . 1 1 94 94 MET CA C 129 51.503 51.503 52.891 -1.388 18179 10462 1 17 . 1 1 94 94 MET CB C 129 34.764 34.764 36.005 -1.241 18179 10463 1 17 . 1 1 94 94 MET H H 129 8.496 8.496 8.844 -0.348 18179 10464 1 17 . 1 1 95 95 PHE N N 130 118.014 118.014 120.856 -2.842 18179 10465 1 17 . 1 1 95 95 PHE HA H 130 5.589 5.589 5.064 0.525 18179 10466 1 17 . 1 1 95 95 PHE C C 130 174.811 174.811 174.150 0.661 18179 10467 1 17 . 1 1 95 95 PHE CA C 130 56.432 56.432 55.504 0.928 18179 10468 1 17 . 1 1 95 95 PHE CB C 130 41.941 41.941 41.499 0.442 18179 10469 1 17 . 1 1 95 95 PHE H H 130 8.573 8.573 7.466 1.107 18179 10470 1 17 . 1 1 96 96 VAL N N 131 122.847 122.847 116.266 6.581 18179 10471 1 17 . 1 1 96 96 VAL HA H 131 4.337 4.337 4.626 -0.289 18179 10472 1 17 . 1 1 96 96 VAL C C 131 174.303 174.303 174.177 0.126 18179 10473 1 17 . 1 1 96 96 VAL CA C 131 61.405 61.405 59.321 2.084 18179 10474 1 17 . 1 1 96 96 VAL CB C 131 34.679 34.679 35.054 -0.375 18179 10475 1 17 . 1 1 96 96 VAL H H 131 9.855 9.855 8.960 0.895 18179 10476 1 17 . 1 1 97 97 ASP N N 132 128.042 128.042 118.311 9.731 18179 10477 1 17 . 1 1 97 97 ASP HA H 132 4.883 4.883 4.993 -0.110 18179 10478 1 17 . 1 1 97 97 ASP C C 132 174.958 174.958 176.019 -1.061 18179 10479 1 17 . 1 1 97 97 ASP CA C 132 53.082 53.082 51.779 1.303 18179 10480 1 17 . 1 1 97 97 ASP CB C 132 45.484 45.484 42.356 3.128 18179 10481 1 17 . 1 1 97 97 ASP H H 132 8.399 8.399 8.469 -0.070 18179 10482 1 17 . 1 1 98 98 PRO HA H 133 4.566 4.566 4.390 0.176 18179 10483 1 17 . 1 1 98 98 PRO C C 133 175.650 175.650 177.944 -2.294 18179 10484 1 17 . 1 1 98 98 PRO CA C 133 65.207 65.207 64.764 0.443 18179 10485 1 17 . 1 1 98 98 PRO CB C 133 31.858 31.858 32.195 -0.337 18179 10486 1 17 . 1 1 99 99 SER N N 134 111.171 111.171 114.282 -3.111 18179 10487 1 17 . 1 1 99 99 SER HA H 134 4.122 4.122 4.198 -0.076 18179 10488 1 17 . 1 1 99 99 SER C C 134 175.303 175.303 174.287 1.016 18179 10489 1 17 . 1 1 99 99 SER CA C 134 60.237 60.237 61.885 -1.648 18179 10490 1 17 . 1 1 99 99 SER CB C 134 64.471 64.471 63.757 0.714 18179 10491 1 17 . 1 1 99 99 SER H H 134 8.154 8.154 8.334 -0.180 18179 10492 1 17 . 1 1 100 100 LEU N N 135 118.112 118.112 119.767 -1.655 18179 10493 1 17 . 1 1 100 100 LEU HA H 135 3.683 3.683 4.257 -0.574 18179 10494 1 17 . 1 1 100 100 LEU C C 135 175.886 175.886 175.225 0.661 18179 10495 1 17 . 1 1 100 100 LEU CA C 135 56.548 56.548 55.150 1.398 18179 10496 1 17 . 1 1 100 100 LEU CB C 135 36.922 36.922 41.085 -4.163 18179 10497 1 17 . 1 1 100 100 LEU H H 135 9.194 9.194 7.486 1.708 18179 10498 1 17 . 1 1 101 101 THR N N 136 116.048 116.048 112.237 3.811 18179 10499 1 17 . 1 1 101 101 THR HA H 136 4.191 4.191 3.992 0.199 18179 10500 1 17 . 1 1 101 101 THR C C 136 173.771 173.771 172.534 1.237 18179 10501 1 17 . 1 1 101 101 THR CA C 136 62.123 62.123 62.670 -0.547 18179 10502 1 17 . 1 1 101 101 THR CB C 136 70.407 70.407 68.924 1.483 18179 10503 1 17 . 1 1 101 101 THR H H 136 7.022 7.022 7.925 -0.903 18179 10504 1 17 . 1 1 102 102 VAL N N 137 129.098 129.098 116.353 12.745 18179 10505 1 17 . 1 1 102 102 VAL HA H 137 3.874 3.874 4.393 -0.519 18179 10506 1 17 . 1 1 102 102 VAL C C 137 177.079 177.079 174.345 2.734 18179 10507 1 17 . 1 1 102 102 VAL CA C 137 64.163 64.163 60.203 3.959 18179 10508 1 17 . 1 1 102 102 VAL CB C 137 31.858 31.858 34.815 -2.957 18179 10509 1 17 . 1 1 102 102 VAL H H 137 9.039 9.039 8.284 0.755 18179 10510 1 17 . 1 1 103 103 ARG N N 138 128.421 128.421 123.182 5.239 18179 10511 1 17 . 1 1 103 103 ARG HA H 138 4.724 4.724 4.721 0.003 18179 10512 1 17 . 1 1 103 103 ARG C C 138 177.315 177.315 174.534 2.781 18179 10513 1 17 . 1 1 103 103 ARG CA C 138 50.845 50.845 55.396 -4.551 18179 10514 1 17 . 1 1 103 103 ARG CB C 138 25.210 25.210 31.318 -6.108 18179 10515 1 17 . 1 1 103 103 ARG H H 138 9.355 9.355 8.521 0.834 18179 10516 1 17 . 1 1 104 104 ALA N N 139 130.638 130.638 124.484 6.154 18179 10517 1 17 . 1 1 104 104 ALA HA H 139 4.128 4.128 4.549 -0.421 18179 10518 1 17 . 1 1 104 104 ALA C C 139 170.819 170.819 175.751 -4.932 18179 10519 1 17 . 1 1 104 104 ALA CA C 139 53.517 53.517 52.388 1.129 18179 10520 1 17 . 1 1 104 104 ALA CB C 139 18.047 18.047 19.116 -1.069 18179 10521 1 17 . 1 1 104 104 ALA H H 139 8.340 8.340 8.712 -0.372 18179 10522 1 17 . 1 1 105 105 ASP N N 140 113.599 113.599 121.425 -7.826 18179 10523 1 17 . 1 1 105 105 ASP HA H 140 4.356 4.356 4.756 -0.400 18179 10524 1 17 . 1 1 105 105 ASP C C 140 175.173 175.173 174.647 0.526 18179 10525 1 17 . 1 1 105 105 ASP CA C 140 54.097 54.097 54.722 -0.625 18179 10526 1 17 . 1 1 105 105 ASP CB C 140 39.219 39.219 41.172 -1.953 18179 10527 1 17 . 1 1 105 105 ASP H H 140 9.653 9.653 8.333 1.320 18179 10528 1 17 . 1 1 106 106 ILE N N 141 122.867 122.867 125.828 -2.961 18179 10529 1 17 . 1 1 106 106 ILE HA H 141 4.332 4.332 4.331 0.001 18179 10530 1 17 . 1 1 106 106 ILE C C 141 174.778 174.778 176.203 -1.425 18179 10531 1 17 . 1 1 106 106 ILE CA C 141 62.464 62.464 61.158 1.306 18179 10532 1 17 . 1 1 106 106 ILE CB C 141 36.210 36.210 36.786 -0.577 18179 10533 1 17 . 1 1 106 106 ILE H H 141 7.541 7.541 8.499 -0.958 18179 10534 1 17 . 1 1 107 107 THR N N 142 117.525 117.525 123.271 -5.746 18179 10535 1 17 . 1 1 107 107 THR HA H 142 4.721 4.721 4.600 0.121 18179 10536 1 17 . 1 1 107 107 THR C C 142 175.898 175.898 174.669 1.229 18179 10537 1 17 . 1 1 107 107 THR CA C 142 59.199 59.199 61.893 -2.694 18179 10538 1 17 . 1 1 107 107 THR CB C 142 71.817 71.817 70.306 1.511 18179 10539 1 17 . 1 1 107 107 THR H H 142 7.816 7.816 8.294 -0.478 18179 10540 1 17 . 1 1 108 108 GLY N N 143 109.853 109.853 113.339 -3.486 18179 10541 1 17 . 1 1 108 108 GLY C C 143 174.389 174.389 173.463 0.926 18179 10542 1 17 . 1 1 108 108 GLY CA C 143 44.291 44.291 44.636 -0.346 18179 10543 1 17 . 1 1 108 108 GLY H H 143 8.891 8.891 8.538 0.353 18179 10544 1 17 . 1 1 109 109 ARG N N 144 116.076 116.076 116.957 -0.881 18179 10545 1 17 . 1 1 109 109 ARG HA H 144 4.006 4.006 4.589 -0.583 18179 10546 1 17 . 1 1 109 109 ARG C C 144 176.521 176.521 175.083 1.438 18179 10547 1 17 . 1 1 109 109 ARG CA C 144 55.989 55.989 55.888 0.101 18179 10548 1 17 . 1 1 109 109 ARG CB C 144 30.851 30.851 30.263 0.588 18179 10549 1 17 . 1 1 109 109 ARG H H 144 8.108 8.108 8.580 -0.472 18179 10550 1 17 . 1 1 110 110 TYR N N 145 123.010 123.010 121.281 1.729 18179 10551 1 17 . 1 1 110 110 TYR HA H 145 4.506 4.506 4.653 -0.147 18179 10552 1 17 . 1 1 110 110 TYR C C 145 178.395 178.395 174.551 3.844 18179 10553 1 17 . 1 1 110 110 TYR CA C 145 57.217 57.217 57.637 -0.420 18179 10554 1 17 . 1 1 110 110 TYR CB C 145 37.232 37.232 39.946 -2.714 18179 10555 1 17 . 1 1 110 110 TYR H H 145 8.825 8.825 7.694 1.131 18179 10556 1 17 . 1 1 111 111 SER N N 146 120.152 120.152 119.978 0.174 18179 10557 1 17 . 1 1 111 111 SER HA H 146 3.948 3.948 4.279 -0.331 18179 10558 1 17 . 1 1 111 111 SER C C 146 174.939 174.939 175.559 -0.620 18179 10559 1 17 . 1 1 111 111 SER CA C 146 60.850 60.850 59.151 1.699 18179 10560 1 17 . 1 1 111 111 SER CB C 146 62.776 62.776 63.751 -0.975 18179 10561 1 17 . 1 1 111 111 SER H H 146 8.616 8.616 8.229 0.387 18179 10562 1 17 . 1 1 112 112 ASN N N 147 116.146 116.146 120.405 -4.259 18179 10563 1 17 . 1 1 112 112 ASN HA H 147 4.558 4.558 4.467 0.091 18179 10564 1 17 . 1 1 112 112 ASN C C 147 173.693 173.693 175.881 -2.188 18179 10565 1 17 . 1 1 112 112 ASN CA C 147 53.209 53.209 54.927 -1.718 18179 10566 1 17 . 1 1 112 112 ASN CB C 147 37.534 37.534 38.519 -0.985 18179 10567 1 17 . 1 1 112 112 ASN H H 147 8.374 8.374 7.994 0.380 18179 10568 1 17 . 1 1 113 113 ARG N N 148 121.673 121.673 119.546 2.127 18179 10569 1 17 . 1 1 113 113 ARG HA H 148 4.226 4.226 4.546 -0.320 18179 10570 1 17 . 1 1 113 113 ARG C C 148 176.358 176.358 175.186 1.172 18179 10571 1 17 . 1 1 113 113 ARG CA C 148 55.251 55.251 55.742 -0.491 18179 10572 1 17 . 1 1 113 113 ARG CB C 148 30.973 30.973 30.568 0.405 18179 10573 1 17 . 1 1 113 113 ARG H H 148 6.782 6.782 8.484 -1.702 18179 10574 1 17 . 1 1 114 114 LEU N N 149 125.966 125.966 125.090 0.876 18179 10575 1 17 . 1 1 114 114 LEU HA H 149 3.776 3.776 4.340 -0.564 18179 10576 1 17 . 1 1 114 114 LEU C C 149 175.787 175.787 176.206 -0.419 18179 10577 1 17 . 1 1 114 114 LEU CA C 149 57.640 57.640 55.819 1.821 18179 10578 1 17 . 1 1 114 114 LEU CB C 149 43.153 43.153 42.927 0.226 18179 10579 1 17 . 1 1 114 114 LEU H H 149 9.976 9.976 8.437 1.539 18179 10580 1 17 . 1 1 115 115 TYR N N 150 115.137 115.137 117.569 -2.432 18179 10581 1 17 . 1 1 115 115 TYR HA H 150 4.947 4.947 4.585 0.362 18179 10582 1 17 . 1 1 115 115 TYR C C 150 174.449 174.449 174.649 -0.200 18179 10583 1 17 . 1 1 115 115 TYR CA C 150 55.986 55.986 58.060 -2.074 18179 10584 1 17 . 1 1 115 115 TYR CB C 150 38.660 38.660 37.265 1.395 18179 10585 1 17 . 1 1 115 115 TYR H H 150 8.272 8.272 8.035 0.237 18179 10586 1 17 . 1 1 116 116 ALA N N 151 121.349 121.349 128.181 -6.832 18179 10587 1 17 . 1 1 116 116 ALA HA H 151 5.086 5.086 4.584 0.502 18179 10588 1 17 . 1 1 116 116 ALA C C 151 177.541 177.541 175.261 2.280 18179 10589 1 17 . 1 1 116 116 ALA CA C 151 51.614 51.614 50.918 0.696 18179 10590 1 17 . 1 1 116 116 ALA CB C 151 21.262 21.262 21.255 0.007 18179 10591 1 17 . 1 1 116 116 ALA H H 151 7.515 7.515 8.075 -0.560 18179 10592 1 17 . 1 1 117 117 TYR N N 152 115.287 115.287 113.747 1.540 18179 10593 1 17 . 1 1 117 117 TYR HA H 152 4.693 4.693 4.841 -0.148 18179 10594 1 17 . 1 1 117 117 TYR C C 152 173.749 173.749 174.845 -1.096 18179 10595 1 17 . 1 1 117 117 TYR CA C 152 58.142 58.142 57.546 0.596 18179 10596 1 17 . 1 1 117 117 TYR CB C 152 42.827 42.827 39.191 3.636 18179 10597 1 17 . 1 1 117 117 TYR H H 152 6.916 6.916 8.051 -1.135 18179 10598 1 17 . 1 1 118 118 GLU N N 153 122.624 122.624 122.491 0.133 18179 10599 1 17 . 1 1 118 118 GLU HA H 153 4.951 4.951 4.453 0.498 18179 10600 1 17 . 1 1 118 118 GLU C C 153 175.895 175.895 176.043 -0.148 18179 10601 1 17 . 1 1 118 118 GLU CA C 153 54.029 54.029 54.951 -0.922 18179 10602 1 17 . 1 1 118 118 GLU CB C 153 29.513 29.513 29.430 0.083 18179 10603 1 17 . 1 1 118 118 GLU H H 153 9.508 9.508 7.733 1.775 18179 10604 1 17 . 1 1 119 119 PRO HA H 154 4.119 4.119 4.269 -0.150 18179 10605 1 17 . 1 1 119 119 PRO C C 154 176.457 176.457 177.172 -0.715 18179 10606 1 17 . 1 1 119 119 PRO CA C 154 66.240 66.240 65.261 0.979 18179 10607 1 17 . 1 1 119 119 PRO CB C 154 31.682 31.682 31.777 -0.095 18179 10608 1 17 . 1 1 120 120 ALA N N 155 114.721 114.721 116.490 -1.769 18179 10609 1 17 . 1 1 120 120 ALA HA H 155 4.372 4.372 4.232 0.140 18179 10610 1 17 . 1 1 120 120 ALA C C 155 178.528 178.528 177.803 0.725 18179 10611 1 17 . 1 1 120 120 ALA CA C 155 53.148 53.148 53.262 -0.114 18179 10612 1 17 . 1 1 120 120 ALA CB C 155 18.782 18.782 18.632 0.150 18179 10613 1 17 . 1 1 120 120 ALA H H 155 7.697 7.697 7.820 -0.123 18179 10614 1 17 . 1 1 121 121 ASP N N 156 117.502 117.502 118.232 -0.730 18179 10615 1 17 . 1 1 121 121 ASP HA H 156 5.154 5.154 4.925 0.229 18179 10616 1 17 . 1 1 121 121 ASP C C 156 176.756 176.756 176.682 0.074 18179 10617 1 17 . 1 1 121 121 ASP CA C 156 54.742 54.742 53.432 1.310 18179 10618 1 17 . 1 1 121 121 ASP CB C 156 42.326 42.326 41.243 1.083 18179 10619 1 17 . 1 1 121 121 ASP H H 156 8.493 8.493 8.056 0.437 18179 10620 1 17 . 1 1 122 122 THR N N 157 111.372 111.372 114.382 -3.010 18179 10621 1 17 . 1 1 122 122 THR HA H 157 3.738 3.738 3.973 -0.235 18179 10622 1 17 . 1 1 122 122 THR C C 157 176.023 176.023 175.830 0.193 18179 10623 1 17 . 1 1 122 122 THR CA C 157 66.673 66.673 65.882 0.791 18179 10624 1 17 . 1 1 122 122 THR CB C 157 67.967 67.967 68.435 -0.468 18179 10625 1 17 . 1 1 122 122 THR H H 157 7.428 7.428 7.505 -0.077 18179 10626 1 17 . 1 1 123 123 ALA N N 158 123.853 123.853 123.842 0.011 18179 10627 1 17 . 1 1 123 123 ALA HA H 158 4.133 4.133 4.110 0.023 18179 10628 1 17 . 1 1 123 123 ALA C C 158 179.987 179.987 179.209 0.778 18179 10629 1 17 . 1 1 123 123 ALA CA C 158 55.545 55.545 54.644 0.901 18179 10630 1 17 . 1 1 123 123 ALA CB C 158 17.458 17.458 18.041 -0.583 18179 10631 1 17 . 1 1 123 123 ALA H H 158 8.663 8.663 8.171 0.492 18179 10632 1 17 . 1 1 124 124 LEU N N 159 121.199 121.199 119.044 2.155 18179 10633 1 17 . 1 1 124 124 LEU HA H 159 4.229 4.229 3.935 0.294 18179 10634 1 17 . 1 1 124 124 LEU C C 159 178.342 178.342 179.154 -0.812 18179 10635 1 17 . 1 1 124 124 LEU CA C 159 57.329 57.329 57.542 -0.213 18179 10636 1 17 . 1 1 124 124 LEU CB C 159 41.956 41.956 40.678 1.278 18179 10637 1 17 . 1 1 124 124 LEU H H 159 7.444 7.444 7.529 -0.085 18179 10638 1 17 . 1 1 125 125 LEU N N 160 119.836 119.836 118.941 0.895 18179 10639 1 17 . 1 1 125 125 LEU HA H 160 3.963 3.963 3.911 0.052 18179 10640 1 17 . 1 1 125 125 LEU C C 160 178.168 178.168 179.360 -1.192 18179 10641 1 17 . 1 1 125 125 LEU CA C 160 58.475 58.475 57.887 0.588 18179 10642 1 17 . 1 1 125 125 LEU CB C 160 40.915 40.915 41.543 -0.628 18179 10643 1 17 . 1 1 125 125 LEU H H 160 8.430 8.430 7.230 1.200 18179 10644 1 17 . 1 1 126 126 LEU N N 161 120.046 120.046 119.044 1.002 18179 10645 1 17 . 1 1 126 126 LEU HA H 161 4.000 4.000 3.951 0.049 18179 10646 1 17 . 1 1 126 126 LEU C C 161 178.848 178.848 179.660 -0.812 18179 10647 1 17 . 1 1 126 126 LEU CA C 161 58.524 58.524 57.450 1.074 18179 10648 1 17 . 1 1 126 126 LEU CB C 161 42.005 42.005 40.346 1.659 18179 10649 1 17 . 1 1 126 126 LEU H H 161 8.127 8.127 8.077 0.050 18179 10650 1 17 . 1 1 127 127 ASP N N 162 119.057 119.057 119.471 -0.414 18179 10651 1 17 . 1 1 127 127 ASP HA H 162 4.267 4.267 4.351 -0.084 18179 10652 1 17 . 1 1 127 127 ASP C C 162 179.299 179.299 177.759 1.540 18179 10653 1 17 . 1 1 127 127 ASP CA C 162 57.699 57.699 56.672 1.027 18179 10654 1 17 . 1 1 127 127 ASP CB C 162 40.564 40.564 41.292 -0.728 18179 10655 1 17 . 1 1 127 127 ASP H H 162 7.872 7.872 7.856 0.016 18179 10656 1 17 . 1 1 128 128 ASN N N 163 122.268 122.268 118.843 3.425 18179 10657 1 17 . 1 1 128 128 ASN HA H 163 4.423 4.423 4.187 0.236 18179 10658 1 17 . 1 1 128 128 ASN C C 163 177.256 177.256 177.165 0.091 18179 10659 1 17 . 1 1 128 128 ASN CA C 163 54.502 54.502 55.725 -1.223 18179 10660 1 17 . 1 1 128 128 ASN CB C 163 36.821 36.821 38.077 -1.256 18179 10661 1 17 . 1 1 128 128 ASN H H 163 8.711 8.711 7.622 1.089 18179 10662 1 17 . 1 1 129 129 MET N N 164 122.448 122.448 117.004 5.444 18179 10663 1 17 . 1 1 129 129 MET HA H 164 3.583 3.583 3.971 -0.388 18179 10664 1 17 . 1 1 129 129 MET C C 164 178.272 178.272 177.793 0.479 18179 10665 1 17 . 1 1 129 129 MET CA C 164 59.617 59.617 58.048 1.569 18179 10666 1 17 . 1 1 129 129 MET CB C 164 34.481 34.481 31.675 2.806 18179 10667 1 17 . 1 1 129 129 MET H H 164 8.704 8.704 8.489 0.215 18179 10668 1 17 . 1 1 130 130 LYS N N 165 117.243 117.243 120.489 -3.246 18179 10669 1 17 . 1 1 130 130 LYS HA H 165 3.869 3.869 3.968 -0.099 18179 10670 1 17 . 1 1 130 130 LYS C C 165 180.050 180.050 178.189 1.861 18179 10671 1 17 . 1 1 130 130 LYS CA C 165 60.517 60.517 58.995 1.522 18179 10672 1 17 . 1 1 130 130 LYS CB C 165 31.836 31.836 32.134 -0.298 18179 10673 1 17 . 1 1 130 130 LYS H H 165 7.767 7.767 7.442 0.325 18179 10674 1 17 . 1 1 131 131 LYS N N 166 120.486 120.486 116.401 4.085 18179 10675 1 17 . 1 1 131 131 LYS HA H 166 3.853 3.853 4.125 -0.272 18179 10676 1 17 . 1 1 131 131 LYS C C 166 179.232 179.232 177.582 1.650 18179 10677 1 17 . 1 1 131 131 LYS CA C 166 60.171 60.171 58.771 1.400 18179 10678 1 17 . 1 1 131 131 LYS CB C 166 32.783 32.783 32.700 0.083 18179 10679 1 17 . 1 1 131 131 LYS H H 166 7.914 7.914 7.328 0.586 18179 10680 1 17 . 1 1 132 132 ALA N N 167 122.426 122.426 120.752 1.674 18179 10681 1 17 . 1 1 132 132 ALA HA H 167 3.625 3.625 4.300 -0.675 18179 10682 1 17 . 1 1 132 132 ALA C C 167 177.616 177.616 179.735 -2.119 18179 10683 1 17 . 1 1 132 132 ALA CA C 167 54.246 54.246 54.252 -0.006 18179 10684 1 17 . 1 1 132 132 ALA CB C 167 18.261 18.261 18.785 -0.524 18179 10685 1 17 . 1 1 132 132 ALA H H 167 7.801 7.801 7.275 0.526 18179 10686 1 17 . 1 1 133 133 LEU N N 168 113.735 113.735 118.458 -4.723 18179 10687 1 17 . 1 1 133 133 LEU HA H 168 3.747 3.747 4.230 -0.483 18179 10688 1 17 . 1 1 133 133 LEU C C 168 177.322 177.322 176.637 0.685 18179 10689 1 17 . 1 1 133 133 LEU CA C 168 55.892 55.892 56.547 -0.655 18179 10690 1 17 . 1 1 133 133 LEU CB C 168 42.159 42.159 42.332 -0.173 18179 10691 1 17 . 1 1 133 133 LEU H H 168 7.010 7.010 8.020 -1.010 18179 10692 1 17 . 1 1 134 134 LYS N N 169 123.034 123.034 117.647 5.387 18179 10693 1 17 . 1 1 134 134 LYS HA H 169 4.331 4.331 4.460 -0.129 18179 10694 1 17 . 1 1 134 134 LYS C C 169 174.307 174.307 175.141 -0.834 18179 10695 1 17 . 1 1 134 134 LYS CA C 169 55.382 55.382 54.388 0.994 18179 10696 1 17 . 1 1 134 134 LYS CB C 169 29.718 29.718 32.055 -2.337 18179 10697 1 17 . 1 1 134 134 LYS H H 169 7.202 7.202 7.656 -0.454 18179 10698 1 17 . 1 1 135 135 LEU N N 170 120.490 120.490 124.145 -3.655 18179 10699 1 17 . 1 1 135 135 LEU HA H 170 3.980 3.980 4.258 -0.278 18179 10700 1 17 . 1 1 135 135 LEU C C 170 178.427 178.427 175.860 2.567 18179 10701 1 17 . 1 1 135 135 LEU CA C 170 54.884 54.884 55.010 -0.126 18179 10702 1 17 . 1 1 135 135 LEU CB C 170 40.903 40.903 40.384 0.519 18179 10703 1 17 . 1 1 135 135 LEU H H 170 7.334 7.334 7.422 -0.088 18179 10704 1 17 . 1 1 136 136 LEU N N 171 120.084 120.084 128.106 -8.022 18179 10705 1 17 . 1 1 136 136 LEU HA H 171 4.040 4.040 4.692 -0.652 18179 10706 1 17 . 1 1 136 136 LEU C C 171 178.231 178.231 175.397 2.834 18179 10707 1 17 . 1 1 136 136 LEU CA C 171 55.750 55.750 53.694 2.057 18179 10708 1 17 . 1 1 136 136 LEU CB C 171 41.734 41.734 45.772 -4.038 18179 10709 1 17 . 1 1 136 136 LEU H H 171 8.614 8.614 7.957 0.657 18179 10710 1 17 . 1 1 137 137 LYS N N 172 121.059 121.059 123.912 -2.853 18179 10711 1 17 . 1 1 137 137 LYS HA H 172 4.333 4.333 4.604 -0.271 18179 10712 1 17 . 1 1 137 137 LYS C C 172 174.388 174.388 175.552 -1.164 18179 10713 1 17 . 1 1 137 137 LYS CA C 172 55.903 55.903 56.165 -0.262 18179 10714 1 17 . 1 1 137 137 LYS CB C 172 32.681 32.681 32.793 -0.112 18179 10715 1 17 . 1 1 137 137 LYS H H 172 8.468 8.468 8.467 0.001 18179 10716 1 17 . 1 1 138 138 THR N N 173 116.267 116.267 116.454 -0.187 18179 10717 1 17 . 1 1 138 138 THR HA H 173 4.261 4.261 4.478 -0.217 18179 10718 1 17 . 1 1 138 138 THR C C 173 174.267 174.267 173.661 0.606 18179 10719 1 17 . 1 1 138 138 THR CA C 173 61.867 61.867 61.634 0.233 18179 10720 1 17 . 1 1 138 138 THR CB C 173 69.848 69.848 70.265 -0.417 18179 10721 1 17 . 1 1 138 138 THR H H 173 8.095 8.095 7.999 0.096 18179 10722 1 17 . 1 1 139 139 GLU N N 174 123.648 123.648 121.746 1.902 18179 10723 1 17 . 1 1 139 139 GLU HA H 174 4.288 4.288 4.559 -0.271 18179 10724 1 17 . 1 1 139 139 GLU C C 174 175.178 175.178 174.935 0.243 18179 10725 1 17 . 1 1 139 139 GLU CA C 174 56.205 56.205 56.627 -0.422 18179 10726 1 17 . 1 1 139 139 GLU CB C 174 30.353 30.353 31.515 -1.162 18179 10727 1 17 . 1 1 139 139 GLU H H 174 8.293 8.293 8.644 -0.351 18179 10728 1 18 . 1 1 17 17 LEU N N 52 120.529 120.529 121.390 -0.861 18179 10729 1 18 . 1 1 17 17 LEU HA H 52 4.317 4.317 4.186 0.131 18179 10730 1 18 . 1 1 17 17 LEU CA C 52 53.456 53.456 55.137 -1.681 18179 10731 1 18 . 1 1 17 17 LEU CB C 52 42.494 42.494 41.754 0.740 18179 10732 1 18 . 1 1 17 17 LEU H H 52 7.103 7.103 8.048 -0.945 18179 10733 1 18 . 1 1 18 18 ILE CB C 53 36.458 36.458 37.889 -1.431 18179 10734 1 18 . 1 1 23 23 TYR HA H 58 4.359 4.359 4.127 0.232 18179 10735 1 18 . 1 1 23 23 TYR C C 58 176.387 176.387 177.501 -1.114 18179 10736 1 18 . 1 1 23 23 TYR CA C 58 59.597 59.597 60.776 -1.179 18179 10737 1 18 . 1 1 23 23 TYR CB C 58 38.572 38.572 37.485 1.087 18179 10738 1 18 . 1 1 24 24 GLU N N 59 117.335 117.335 121.228 -3.893 18179 10739 1 18 . 1 1 24 24 GLU CA C 59 60.871 60.871 59.458 1.413 18179 10740 1 18 . 1 1 24 24 GLU CB C 59 28.494 28.494 28.369 0.125 18179 10741 1 18 . 1 1 24 24 GLU H H 59 9.191 9.191 8.193 0.998 18179 10742 1 18 . 1 1 25 25 ALA N N 60 120.861 120.861 121.028 -0.167 18179 10743 1 18 . 1 1 25 25 ALA CA C 60 54.555 54.555 54.625 -0.070 18179 10744 1 18 . 1 1 25 25 ALA CB C 60 18.528 18.528 18.048 0.480 18179 10745 1 18 . 1 1 25 25 ALA H H 60 7.688 7.688 7.537 0.151 18179 10746 1 18 . 1 1 26 26 ALA N N 61 123.402 123.402 122.267 1.135 18179 10747 1 18 . 1 1 26 26 ALA HA H 61 3.900 3.900 4.035 -0.135 18179 10748 1 18 . 1 1 26 26 ALA CA C 61 55.346 55.346 55.136 0.210 18179 10749 1 18 . 1 1 26 26 ALA CB C 61 19.104 19.104 18.446 0.658 18179 10750 1 18 . 1 1 26 26 ALA H H 61 8.225 8.225 7.563 0.662 18179 10751 1 18 . 1 1 27 27 LEU N N 62 118.742 118.742 119.034 -0.292 18179 10752 1 18 . 1 1 27 27 LEU HA H 62 3.700 3.700 3.976 -0.276 18179 10753 1 18 . 1 1 27 27 LEU C C 62 171.911 171.911 179.163 -7.252 18179 10754 1 18 . 1 1 27 27 LEU CA C 62 57.654 57.654 58.002 -0.348 18179 10755 1 18 . 1 1 27 27 LEU CB C 62 41.905 41.905 41.484 0.421 18179 10756 1 18 . 1 1 27 27 LEU H H 62 8.336 8.336 8.747 -0.411 18179 10757 1 18 . 1 1 28 28 TYR N N 63 117.594 117.594 120.156 -2.562 18179 10758 1 18 . 1 1 28 28 TYR HA H 63 4.007 4.007 4.006 0.001 18179 10759 1 18 . 1 1 28 28 TYR C C 63 179.075 179.075 177.781 1.294 18179 10760 1 18 . 1 1 28 28 TYR CA C 63 61.769 61.769 62.610 -0.841 18179 10761 1 18 . 1 1 28 28 TYR CB C 63 38.071 38.071 38.462 -0.391 18179 10762 1 18 . 1 1 28 28 TYR H H 63 7.279 7.279 7.817 -0.538 18179 10763 1 18 . 1 1 29 29 LYS N N 64 121.077 121.077 118.306 2.771 18179 10764 1 18 . 1 1 29 29 LYS HA H 64 3.663 3.663 4.007 -0.344 18179 10765 1 18 . 1 1 29 29 LYS C C 64 176.394 176.394 179.331 -2.937 18179 10766 1 18 . 1 1 29 29 LYS CA C 64 59.230 59.230 59.402 -0.172 18179 10767 1 18 . 1 1 29 29 LYS CB C 64 32.573 32.573 31.714 0.859 18179 10768 1 18 . 1 1 29 29 LYS H H 64 8.472 8.472 8.139 0.333 18179 10769 1 18 . 1 1 30 30 SER N N 65 117.933 117.933 115.530 2.403 18179 10770 1 18 . 1 1 30 30 SER HA H 65 4.160 4.160 4.253 -0.093 18179 10771 1 18 . 1 1 30 30 SER C C 65 176.518 176.518 176.240 0.278 18179 10772 1 18 . 1 1 30 30 SER CA C 65 61.706 61.706 62.567 -0.861 18179 10773 1 18 . 1 1 30 30 SER CB C 65 64.022 64.022 62.946 1.076 18179 10774 1 18 . 1 1 30 30 SER H H 65 8.500 8.500 8.566 -0.066 18179 10775 1 18 . 1 1 31 31 LYS N N 66 117.248 117.248 122.542 -5.294 18179 10776 1 18 . 1 1 31 31 LYS HA H 66 4.301 4.301 4.026 0.275 18179 10777 1 18 . 1 1 31 31 LYS C C 66 179.721 179.721 179.106 0.615 18179 10778 1 18 . 1 1 31 31 LYS CA C 66 59.165 59.165 59.381 -0.216 18179 10779 1 18 . 1 1 31 31 LYS CB C 66 32.372 32.372 32.300 0.072 18179 10780 1 18 . 1 1 31 31 LYS H H 66 8.020 8.020 8.418 -0.398 18179 10781 1 18 . 1 1 32 32 THR N N 67 109.772 109.772 113.059 -3.287 18179 10782 1 18 . 1 1 32 32 THR HA H 67 3.883 3.883 4.189 -0.306 18179 10783 1 18 . 1 1 32 32 THR C C 67 176.237 176.237 175.286 0.951 18179 10784 1 18 . 1 1 32 32 THR CA C 67 64.813 64.813 64.572 0.241 18179 10785 1 18 . 1 1 32 32 THR CB C 67 69.445 69.445 68.930 0.515 18179 10786 1 18 . 1 1 32 32 THR H H 67 7.844 7.844 7.760 0.084 18179 10787 1 18 . 1 1 33 33 SER N N 68 115.610 115.610 114.061 1.549 18179 10788 1 18 . 1 1 33 33 SER HA H 68 4.369 4.369 4.569 -0.200 18179 10789 1 18 . 1 1 33 33 SER C C 68 174.628 174.628 173.618 1.010 18179 10790 1 18 . 1 1 33 33 SER CA C 68 59.242 59.242 58.347 0.895 18179 10791 1 18 . 1 1 33 33 SER CB C 68 65.166 65.166 64.514 0.652 18179 10792 1 18 . 1 1 33 33 SER H H 68 8.047 8.047 7.467 0.580 18179 10793 1 18 . 1 1 34 34 ASN N N 69 110.215 110.215 116.741 -6.526 18179 10794 1 18 . 1 1 34 34 ASN HA H 69 4.181 4.181 4.423 -0.242 18179 10795 1 18 . 1 1 34 34 ASN C C 69 173.253 173.253 174.377 -1.124 18179 10796 1 18 . 1 1 34 34 ASN CA C 69 54.302 54.302 54.678 -0.376 18179 10797 1 18 . 1 1 34 34 ASN CB C 69 38.506 38.506 37.083 1.423 18179 10798 1 18 . 1 1 34 34 ASN H H 69 8.061 8.061 8.047 0.014 18179 10799 1 18 . 1 1 35 35 LYS N N 70 117.312 117.312 121.464 -4.152 18179 10800 1 18 . 1 1 35 35 LYS HA H 70 4.676 4.676 4.860 -0.184 18179 10801 1 18 . 1 1 35 35 LYS CA C 70 53.385 53.385 53.463 -0.078 18179 10802 1 18 . 1 1 35 35 LYS CB C 70 34.049 34.049 34.167 -0.118 18179 10803 1 18 . 1 1 35 35 LYS H H 70 7.589 7.589 8.035 -0.446 18179 10804 1 18 . 1 1 36 36 PRO HA H 71 4.371 4.371 4.582 -0.211 18179 10805 1 18 . 1 1 36 36 PRO C C 71 172.189 172.189 175.819 -3.630 18179 10806 1 18 . 1 1 36 36 PRO CA C 71 62.356 62.356 63.085 -0.729 18179 10807 1 18 . 1 1 36 36 PRO CB C 71 31.785 31.785 32.311 -0.526 18179 10808 1 18 . 1 1 37 37 LEU N N 72 122.894 122.894 120.325 2.569 18179 10809 1 18 . 1 1 37 37 LEU HA H 72 5.392 5.392 4.789 0.603 18179 10810 1 18 . 1 1 37 37 LEU C C 72 174.422 174.422 175.816 -1.394 18179 10811 1 18 . 1 1 37 37 LEU CA C 72 52.656 52.656 54.039 -1.383 18179 10812 1 18 . 1 1 37 37 LEU CB C 72 45.220 45.220 44.796 0.424 18179 10813 1 18 . 1 1 37 37 LEU H H 72 8.936 8.936 8.123 0.813 18179 10814 1 18 . 1 1 38 38 MET N N 73 128.922 128.922 123.035 5.887 18179 10815 1 18 . 1 1 38 38 MET C C 73 172.488 172.488 174.979 -2.491 18179 10816 1 18 . 1 1 38 38 MET CA C 73 54.806 54.806 54.482 0.324 18179 10817 1 18 . 1 1 38 38 MET CB C 73 35.127 35.127 34.766 0.361 18179 10818 1 18 . 1 1 38 38 MET H H 73 8.965 8.965 8.605 0.360 18179 10819 1 18 . 1 1 39 39 ILE N N 74 124.016 124.016 128.589 -4.573 18179 10820 1 18 . 1 1 39 39 ILE HA H 74 4.819 4.819 4.225 0.594 18179 10821 1 18 . 1 1 39 39 ILE C C 74 175.018 175.018 174.496 0.522 18179 10822 1 18 . 1 1 39 39 ILE CA C 74 59.688 59.688 60.960 -1.272 18179 10823 1 18 . 1 1 39 39 ILE CB C 74 40.407 40.407 38.178 2.229 18179 10824 1 18 . 1 1 39 39 ILE H H 74 8.727 8.727 8.867 -0.140 18179 10825 1 18 . 1 1 40 40 ILE N N 75 126.837 126.837 129.510 -2.673 18179 10826 1 18 . 1 1 40 40 ILE HA H 75 4.038 4.038 4.255 -0.217 18179 10827 1 18 . 1 1 40 40 ILE C C 75 175.282 175.282 173.879 1.403 18179 10828 1 18 . 1 1 40 40 ILE CA C 75 60.408 60.408 60.733 -0.325 18179 10829 1 18 . 1 1 40 40 ILE CB C 75 40.028 40.028 38.340 1.688 18179 10830 1 18 . 1 1 40 40 ILE H H 75 8.587 8.587 8.478 0.109 18179 10831 1 18 . 1 1 41 41 HIS N N 76 128.633 128.633 128.492 0.141 18179 10832 1 18 . 1 1 41 41 HIS CA C 76 56.453 56.453 54.242 2.211 18179 10833 1 18 . 1 1 41 41 HIS CB C 76 29.368 29.368 32.609 -3.241 18179 10834 1 18 . 1 1 41 41 HIS H H 76 9.145 9.145 8.694 0.451 18179 10835 1 18 . 1 1 42 42 HIS HA H 77 4.822 4.822 5.029 -0.207 18179 10836 1 18 . 1 1 42 42 HIS C C 77 170.942 170.942 173.202 -2.260 18179 10837 1 18 . 1 1 42 42 HIS CA C 77 54.441 54.441 54.257 0.184 18179 10838 1 18 . 1 1 42 42 HIS CB C 77 34.768 34.768 31.455 3.313 18179 10839 1 18 . 1 1 43 43 LEU N N 78 114.526 114.526 120.399 -5.873 18179 10840 1 18 . 1 1 43 43 LEU HA H 78 4.540 4.540 4.553 -0.013 18179 10841 1 18 . 1 1 43 43 LEU C C 78 177.855 177.855 175.397 2.458 18179 10842 1 18 . 1 1 43 43 LEU CA C 78 54.020 54.020 54.175 -0.155 18179 10843 1 18 . 1 1 43 43 LEU CB C 78 46.643 46.643 45.862 0.781 18179 10844 1 18 . 1 1 43 43 LEU H H 78 7.077 7.077 8.202 -1.125 18179 10845 1 18 . 1 1 44 44 ASP N N 79 123.675 123.675 124.207 -0.532 18179 10846 1 18 . 1 1 44 44 ASP HA H 79 4.452 4.452 4.532 -0.080 18179 10847 1 18 . 1 1 44 44 ASP C C 79 177.872 177.872 176.659 1.213 18179 10848 1 18 . 1 1 44 44 ASP CA C 79 57.458 57.458 55.325 2.133 18179 10849 1 18 . 1 1 44 44 ASP CB C 79 40.739 40.739 41.430 -0.691 18179 10850 1 18 . 1 1 44 44 ASP H H 79 8.783 8.783 8.535 0.248 18179 10851 1 18 . 1 1 45 45 GLU N N 80 115.578 115.578 118.813 -3.235 18179 10852 1 18 . 1 1 45 45 GLU HA H 80 4.156 4.156 4.127 0.029 18179 10853 1 18 . 1 1 45 45 GLU C C 80 175.108 175.108 176.426 -1.318 18179 10854 1 18 . 1 1 45 45 GLU CA C 80 56.661 56.661 57.580 -0.919 18179 10855 1 18 . 1 1 45 45 GLU CB C 80 28.604 28.604 29.762 -1.158 18179 10856 1 18 . 1 1 45 45 GLU H H 80 9.146 9.146 8.203 0.943 18179 10857 1 18 . 1 1 46 46 CYS N N 81 125.642 125.642 117.235 8.407 18179 10858 1 18 . 1 1 46 46 CYS HA H 81 4.814 4.814 4.516 0.298 18179 10859 1 18 . 1 1 46 46 CYS C C 81 175.453 175.453 173.076 2.377 18179 10860 1 18 . 1 1 46 46 CYS CA C 81 56.298 56.298 57.004 -0.706 18179 10861 1 18 . 1 1 46 46 CYS CB C 81 30.378 30.378 26.663 3.715 18179 10862 1 18 . 1 1 46 46 CYS H H 81 7.146 7.146 7.891 -0.745 18179 10863 1 18 . 1 1 47 47 PRO HA H 82 4.311 4.311 4.104 0.207 18179 10864 1 18 . 1 1 47 47 PRO CA C 82 64.536 64.536 63.652 0.884 18179 10865 1 18 . 1 1 47 47 PRO CB C 82 32.069 32.069 31.482 0.587 18179 10866 1 18 . 1 1 48 48 HIS N N 83 124.416 124.416 123.024 1.392 18179 10867 1 18 . 1 1 48 48 HIS HA H 83 4.511 4.511 4.343 0.168 18179 10868 1 18 . 1 1 48 48 HIS C C 83 178.820 178.820 176.844 1.976 18179 10869 1 18 . 1 1 48 48 HIS CA C 83 59.042 59.042 56.944 2.098 18179 10870 1 18 . 1 1 48 48 HIS CB C 83 28.921 28.921 29.750 -0.829 18179 10871 1 18 . 1 1 48 48 HIS H H 83 8.936 8.936 8.398 0.538 18179 10872 1 18 . 1 1 49 49 SER N N 84 129.973 129.973 120.196 9.777 18179 10873 1 18 . 1 1 49 49 SER HA H 84 4.152 4.152 4.079 0.073 18179 10874 1 18 . 1 1 49 49 SER C C 84 175.397 175.397 175.861 -0.464 18179 10875 1 18 . 1 1 49 49 SER CA C 84 63.873 63.873 61.329 2.544 18179 10876 1 18 . 1 1 49 49 SER CB C 84 65.516 65.516 62.467 3.049 18179 10877 1 18 . 1 1 49 49 SER H H 84 11.408 11.408 9.013 2.395 18179 10878 1 18 . 1 1 50 50 GLN N N 85 118.214 118.214 120.468 -2.254 18179 10879 1 18 . 1 1 50 50 GLN HA H 85 3.701 3.701 4.061 -0.360 18179 10880 1 18 . 1 1 50 50 GLN C C 85 178.213 178.213 177.895 0.318 18179 10881 1 18 . 1 1 50 50 GLN CA C 85 58.201 58.201 58.528 -0.327 18179 10882 1 18 . 1 1 50 50 GLN CB C 85 27.294 27.294 27.818 -0.524 18179 10883 1 18 . 1 1 50 50 GLN H H 85 8.192 8.192 8.257 -0.065 18179 10884 1 18 . 1 1 51 51 ALA N N 86 121.790 121.790 122.461 -0.671 18179 10885 1 18 . 1 1 51 51 ALA HA H 86 4.099 4.099 4.173 -0.074 18179 10886 1 18 . 1 1 51 51 ALA C C 86 180.512 180.512 179.371 1.141 18179 10887 1 18 . 1 1 51 51 ALA CA C 86 54.742 54.742 54.723 0.019 18179 10888 1 18 . 1 1 51 51 ALA CB C 86 18.559 18.559 18.408 0.151 18179 10889 1 18 . 1 1 51 51 ALA H H 86 7.748 7.748 8.289 -0.541 18179 10890 1 18 . 1 1 52 52 LEU N N 87 118.528 118.528 119.321 -0.793 18179 10891 1 18 . 1 1 52 52 LEU HA H 87 4.076 4.076 4.231 -0.155 18179 10892 1 18 . 1 1 52 52 LEU CA C 87 57.266 57.266 57.392 -0.126 18179 10893 1 18 . 1 1 52 52 LEU CB C 87 41.947 41.947 42.229 -0.282 18179 10894 1 18 . 1 1 52 52 LEU H H 87 7.918 7.918 7.606 0.312 18179 10895 1 18 . 1 1 53 53 LYS N N 88 120.398 120.398 118.750 1.648 18179 10896 1 18 . 1 1 53 53 LYS H H 88 7.932 7.932 8.588 -0.656 18179 10897 1 18 . 1 1 54 54 LYS N N 89 115.219 115.219 120.674 -5.455 18179 10898 1 18 . 1 1 54 54 LYS HA H 89 3.790 3.790 4.129 -0.339 18179 10899 1 18 . 1 1 54 54 LYS C C 89 178.614 178.614 178.840 -0.226 18179 10900 1 18 . 1 1 54 54 LYS CA C 89 59.308 59.308 59.509 -0.201 18179 10901 1 18 . 1 1 54 54 LYS CB C 89 32.530 32.530 32.475 0.055 18179 10902 1 18 . 1 1 54 54 LYS H H 89 6.889 6.889 7.678 -0.789 18179 10903 1 18 . 1 1 55 55 VAL N N 90 110.991 110.991 119.743 -8.752 18179 10904 1 18 . 1 1 55 55 VAL HA H 90 4.049 4.049 3.797 0.252 18179 10905 1 18 . 1 1 55 55 VAL C C 90 178.054 178.054 177.380 0.674 18179 10906 1 18 . 1 1 55 55 VAL CA C 90 64.467 64.467 65.154 -0.687 18179 10907 1 18 . 1 1 55 55 VAL CB C 90 31.625 31.625 31.370 0.255 18179 10908 1 18 . 1 1 55 55 VAL H H 90 6.748 6.748 7.527 -0.779 18179 10909 1 18 . 1 1 56 56 PHE N N 91 124.010 124.010 121.491 2.519 18179 10910 1 18 . 1 1 56 56 PHE HA H 91 3.829 3.829 4.095 -0.266 18179 10911 1 18 . 1 1 56 56 PHE C C 91 177.496 177.496 175.991 1.505 18179 10912 1 18 . 1 1 56 56 PHE CA C 91 61.854 61.854 61.617 0.237 18179 10913 1 18 . 1 1 56 56 PHE CB C 91 41.828 41.828 38.985 2.843 18179 10914 1 18 . 1 1 56 56 PHE H H 91 8.722 8.722 7.815 0.907 18179 10915 1 18 . 1 1 57 57 ALA N N 92 118.444 118.444 118.705 -0.261 18179 10916 1 18 . 1 1 57 57 ALA HA H 92 4.185 4.185 4.060 0.125 18179 10917 1 18 . 1 1 57 57 ALA C C 92 180.660 180.660 178.755 1.905 18179 10918 1 18 . 1 1 57 57 ALA CA C 92 54.288 54.288 53.681 0.607 18179 10919 1 18 . 1 1 57 57 ALA CB C 92 18.487 18.487 18.700 -0.213 18179 10920 1 18 . 1 1 57 57 ALA H H 92 8.695 8.695 7.734 0.961 18179 10921 1 18 . 1 1 58 58 GLU N N 93 112.263 112.263 117.986 -5.723 18179 10922 1 18 . 1 1 58 58 GLU HA H 93 4.156 4.156 4.176 -0.020 18179 10923 1 18 . 1 1 58 58 GLU C C 93 175.641 175.641 176.651 -1.010 18179 10924 1 18 . 1 1 58 58 GLU CA C 93 55.883 55.883 57.524 -1.641 18179 10925 1 18 . 1 1 58 58 GLU CB C 93 30.495 30.495 30.384 0.111 18179 10926 1 18 . 1 1 58 58 GLU H H 93 7.108 7.108 7.838 -0.730 18179 10927 1 18 . 1 1 59 59 ASN N N 94 120.422 120.422 118.673 1.749 18179 10928 1 18 . 1 1 59 59 ASN HA H 94 4.590 4.590 4.788 -0.198 18179 10929 1 18 . 1 1 59 59 ASN C C 94 174.151 174.151 175.310 -1.159 18179 10930 1 18 . 1 1 59 59 ASN CA C 94 54.056 54.056 52.261 1.795 18179 10931 1 18 . 1 1 59 59 ASN CB C 94 38.723 38.723 39.312 -0.589 18179 10932 1 18 . 1 1 59 59 ASN H H 94 7.269 7.269 7.867 -0.598 18179 10933 1 18 . 1 1 60 60 LYS N N 95 127.497 127.497 127.179 0.318 18179 10934 1 18 . 1 1 60 60 LYS HA H 95 3.770 3.770 3.937 -0.167 18179 10935 1 18 . 1 1 60 60 LYS C C 95 178.959 178.959 177.839 1.120 18179 10936 1 18 . 1 1 60 60 LYS CA C 95 59.337 59.337 59.351 -0.014 18179 10937 1 18 . 1 1 60 60 LYS CB C 95 32.170 32.170 32.489 -0.319 18179 10938 1 18 . 1 1 60 60 LYS H H 95 8.672 8.672 8.894 -0.222 18179 10939 1 18 . 1 1 61 61 GLU N N 96 119.409 119.409 119.501 -0.092 18179 10940 1 18 . 1 1 61 61 GLU HA H 96 3.984 3.984 4.059 -0.075 18179 10941 1 18 . 1 1 61 61 GLU C C 96 179.574 179.574 179.021 0.553 18179 10942 1 18 . 1 1 61 61 GLU CA C 96 59.955 59.955 59.090 0.865 18179 10943 1 18 . 1 1 61 61 GLU CB C 96 29.246 29.246 29.561 -0.315 18179 10944 1 18 . 1 1 61 61 GLU H H 96 7.988 7.988 7.819 0.169 18179 10945 1 18 . 1 1 62 62 ILE N N 97 122.621 122.621 120.936 1.685 18179 10946 1 18 . 1 1 62 62 ILE HA H 97 3.224 3.224 3.767 -0.543 18179 10947 1 18 . 1 1 62 62 ILE C C 97 177.158 177.158 177.988 -0.830 18179 10948 1 18 . 1 1 62 62 ILE CA C 97 65.787 65.787 65.096 0.691 18179 10949 1 18 . 1 1 62 62 ILE CB C 97 37.710 37.710 37.916 -0.206 18179 10950 1 18 . 1 1 62 62 ILE H H 97 8.484 8.484 8.210 0.274 18179 10951 1 18 . 1 1 63 63 GLN N N 98 115.619 115.619 119.051 -3.432 18179 10952 1 18 . 1 1 63 63 GLN HA H 98 3.481 3.481 3.137 0.344 18179 10953 1 18 . 1 1 63 63 GLN C C 98 178.097 178.097 177.860 0.237 18179 10954 1 18 . 1 1 63 63 GLN CA C 98 58.601 58.601 59.019 -0.418 18179 10955 1 18 . 1 1 63 63 GLN CB C 98 28.834 28.834 28.223 0.611 18179 10956 1 18 . 1 1 63 63 GLN H H 98 8.046 8.046 7.709 0.337 18179 10957 1 18 . 1 1 64 64 LYS N N 99 116.464 116.464 119.999 -3.535 18179 10958 1 18 . 1 1 64 64 LYS HA H 99 4.125 4.125 3.954 0.171 18179 10959 1 18 . 1 1 64 64 LYS C C 99 179.740 179.740 179.089 0.651 18179 10960 1 18 . 1 1 64 64 LYS CA C 99 57.955 57.955 59.439 -1.484 18179 10961 1 18 . 1 1 64 64 LYS CB C 99 32.054 32.054 32.215 -0.161 18179 10962 1 18 . 1 1 64 64 LYS H H 99 7.578 7.578 7.772 -0.194 18179 10963 1 18 . 1 1 65 65 LEU N N 100 122.576 122.576 119.803 2.773 18179 10964 1 18 . 1 1 65 65 LEU HA H 100 4.128 4.128 4.097 0.031 18179 10965 1 18 . 1 1 65 65 LEU C C 100 178.481 178.481 178.455 0.026 18179 10966 1 18 . 1 1 65 65 LEU CA C 100 57.044 57.044 58.277 -1.233 18179 10967 1 18 . 1 1 65 65 LEU CB C 100 41.883 41.883 42.061 -0.178 18179 10968 1 18 . 1 1 65 65 LEU H H 100 7.916 7.916 7.759 0.157 18179 10969 1 18 . 1 1 66 66 ALA N N 101 119.534 119.534 119.579 -0.045 18179 10970 1 18 . 1 1 66 66 ALA HA H 101 3.810 3.810 4.253 -0.443 18179 10971 1 18 . 1 1 66 66 ALA C C 101 177.520 177.520 180.046 -2.526 18179 10972 1 18 . 1 1 66 66 ALA CA C 101 54.772 54.772 54.894 -0.122 18179 10973 1 18 . 1 1 66 66 ALA CB C 101 17.737 17.737 18.581 -0.844 18179 10974 1 18 . 1 1 66 66 ALA H H 101 8.511 8.511 7.664 0.847 18179 10975 1 18 . 1 1 67 67 GLU N N 102 113.081 113.081 118.793 -5.712 18179 10976 1 18 . 1 1 67 67 GLU HA H 102 4.113 4.113 4.067 0.046 18179 10977 1 18 . 1 1 67 67 GLU C C 102 178.295 178.295 177.826 0.469 18179 10978 1 18 . 1 1 67 67 GLU CA C 102 58.285 58.285 58.910 -0.625 18179 10979 1 18 . 1 1 67 67 GLU CB C 102 29.952 29.952 29.379 0.573 18179 10980 1 18 . 1 1 67 67 GLU H H 102 7.039 7.039 8.320 -1.281 18179 10981 1 18 . 1 1 68 68 GLN N N 103 116.244 116.244 116.474 -0.230 18179 10982 1 18 . 1 1 68 68 GLN HA H 103 4.107 4.107 4.072 0.035 18179 10983 1 18 . 1 1 68 68 GLN C C 103 173.173 173.173 175.575 -2.402 18179 10984 1 18 . 1 1 68 68 GLN CA C 103 56.094 56.094 56.950 -0.856 18179 10985 1 18 . 1 1 68 68 GLN CB C 103 28.703 28.703 29.253 -0.550 18179 10986 1 18 . 1 1 68 68 GLN H H 103 8.167 8.167 7.602 0.565 18179 10987 1 18 . 1 1 69 69 PHE N N 104 116.822 116.822 116.472 0.350 18179 10988 1 18 . 1 1 69 69 PHE HA H 104 4.645 4.645 4.697 -0.052 18179 10989 1 18 . 1 1 69 69 PHE C C 104 177.346 177.346 175.221 2.125 18179 10990 1 18 . 1 1 69 69 PHE CA C 104 57.254 57.254 56.887 0.367 18179 10991 1 18 . 1 1 69 69 PHE CB C 104 40.897 40.897 41.683 -0.786 18179 10992 1 18 . 1 1 69 69 PHE H H 104 7.633 7.633 7.348 0.285 18179 10993 1 18 . 1 1 70 70 VAL N N 105 120.799 120.799 120.114 0.685 18179 10994 1 18 . 1 1 70 70 VAL HA H 105 3.867 3.867 4.394 -0.527 18179 10995 1 18 . 1 1 70 70 VAL C C 105 174.191 174.191 174.894 -0.703 18179 10996 1 18 . 1 1 70 70 VAL CA C 105 63.450 63.450 61.605 1.845 18179 10997 1 18 . 1 1 70 70 VAL CB C 105 31.566 31.566 32.670 -1.104 18179 10998 1 18 . 1 1 70 70 VAL H H 105 8.943 8.943 8.776 0.167 18179 10999 1 18 . 1 1 71 71 LEU N N 106 129.105 129.105 121.331 7.774 18179 11000 1 18 . 1 1 71 71 LEU HA H 106 4.850 4.850 4.795 0.055 18179 11001 1 18 . 1 1 71 71 LEU CA C 106 53.854 53.854 53.901 -0.047 18179 11002 1 18 . 1 1 71 71 LEU CB C 106 44.478 44.478 44.612 -0.134 18179 11003 1 18 . 1 1 71 71 LEU H H 106 8.432 8.432 8.326 0.106 18179 11004 1 18 . 1 1 72 72 LEU N N 107 123.682 123.682 121.010 2.672 18179 11005 1 18 . 1 1 72 72 LEU H H 107 8.298 8.298 8.175 0.123 18179 11006 1 18 . 1 1 73 73 ASN N N 108 125.520 125.520 116.201 9.319 18179 11007 1 18 . 1 1 73 73 ASN CA C 108 51.631 51.631 55.123 -3.492 18179 11008 1 18 . 1 1 73 73 ASN CB C 108 41.484 41.484 38.306 3.178 18179 11009 1 18 . 1 1 73 73 ASN H H 108 9.761 9.761 8.534 1.227 18179 11010 1 18 . 1 1 74 74 LEU N N 109 122.070 122.070 116.056 6.014 18179 11011 1 18 . 1 1 74 74 LEU H H 109 8.563 8.563 8.936 -0.373 18179 11012 1 18 . 1 1 75 75 VAL HA H 110 5.100 5.100 4.121 0.979 18179 11013 1 18 . 1 1 75 75 VAL CA C 110 59.157 59.157 63.716 -4.559 18179 11014 1 18 . 1 1 76 76 TYR N N 111 120.641 120.641 121.408 -0.767 18179 11015 1 18 . 1 1 76 76 TYR HA H 111 4.569 4.569 4.487 0.082 18179 11016 1 18 . 1 1 76 76 TYR C C 111 175.393 175.393 175.658 -0.265 18179 11017 1 18 . 1 1 76 76 TYR CA C 111 57.736 57.736 58.004 -0.268 18179 11018 1 18 . 1 1 76 76 TYR CB C 111 39.426 39.426 39.729 -0.303 18179 11019 1 18 . 1 1 76 76 TYR H H 111 8.255 8.255 8.057 0.198 18179 11020 1 18 . 1 1 79 79 THR HA H 114 4.180 4.180 4.085 0.095 18179 11021 1 18 . 1 1 79 79 THR CA C 114 61.295 61.295 62.659 -1.364 18179 11022 1 18 . 1 1 79 79 THR CB C 114 68.683 68.683 69.334 -0.651 18179 11023 1 18 . 1 1 80 80 ASP N N 115 121.026 121.026 125.426 -4.400 18179 11024 1 18 . 1 1 80 80 ASP C C 115 177.959 177.959 177.013 0.946 18179 11025 1 18 . 1 1 80 80 ASP CA C 115 53.276 53.276 53.948 -0.672 18179 11026 1 18 . 1 1 80 80 ASP H H 115 7.746 7.746 8.351 -0.605 18179 11027 1 18 . 1 1 81 81 LYS N N 116 129.056 129.056 125.981 3.075 18179 11028 1 18 . 1 1 81 81 LYS HA H 116 3.828 3.828 4.149 -0.321 18179 11029 1 18 . 1 1 81 81 LYS C C 116 179.118 179.118 177.015 2.103 18179 11030 1 18 . 1 1 81 81 LYS CA C 116 57.957 57.957 57.754 0.203 18179 11031 1 18 . 1 1 81 81 LYS CB C 116 31.273 31.273 32.353 -1.080 18179 11032 1 18 . 1 1 81 81 LYS H H 116 8.873 8.873 8.661 0.212 18179 11033 1 18 . 1 1 82 82 HIS N N 117 116.887 116.887 120.198 -3.311 18179 11034 1 18 . 1 1 82 82 HIS HA H 117 4.290 4.290 4.446 -0.156 18179 11035 1 18 . 1 1 82 82 HIS C C 117 175.622 175.622 176.732 -1.110 18179 11036 1 18 . 1 1 82 82 HIS CA C 117 57.865 57.865 58.221 -0.356 18179 11037 1 18 . 1 1 82 82 HIS CB C 117 27.704 27.704 30.117 -2.413 18179 11038 1 18 . 1 1 82 82 HIS H H 117 8.707 8.707 7.709 0.998 18179 11039 1 18 . 1 1 83 83 LEU N N 118 113.733 113.733 119.878 -6.145 18179 11040 1 18 . 1 1 83 83 LEU HA H 118 4.290 4.290 4.190 0.100 18179 11041 1 18 . 1 1 83 83 LEU C C 118 175.949 175.949 176.218 -0.269 18179 11042 1 18 . 1 1 83 83 LEU CA C 118 53.982 53.982 56.421 -2.439 18179 11043 1 18 . 1 1 83 83 LEU CB C 118 41.734 41.734 42.747 -1.013 18179 11044 1 18 . 1 1 83 83 LEU H H 118 7.332 7.332 8.632 -1.300 18179 11045 1 18 . 1 1 84 84 SER N N 119 111.979 111.979 110.699 1.280 18179 11046 1 18 . 1 1 84 84 SER HA H 119 4.632 4.632 5.005 -0.373 18179 11047 1 18 . 1 1 84 84 SER C C 119 173.830 173.830 172.768 1.062 18179 11048 1 18 . 1 1 84 84 SER CA C 119 55.581 55.581 56.155 -0.574 18179 11049 1 18 . 1 1 84 84 SER CB C 119 62.367 62.367 63.722 -1.355 18179 11050 1 18 . 1 1 84 84 SER H H 119 7.268 7.268 7.577 -0.309 18179 11051 1 18 . 1 1 85 85 PRO HA H 120 4.384 4.384 4.411 -0.027 18179 11052 1 18 . 1 1 85 85 PRO C C 120 177.881 177.881 176.603 1.278 18179 11053 1 18 . 1 1 85 85 PRO CA C 120 65.292 65.292 64.115 1.177 18179 11054 1 18 . 1 1 85 85 PRO CB C 120 31.942 31.942 31.964 -0.022 18179 11055 1 18 . 1 1 86 86 ASP N N 121 117.614 117.614 120.676 -3.062 18179 11056 1 18 . 1 1 86 86 ASP HA H 121 4.960 4.960 4.521 0.439 18179 11057 1 18 . 1 1 86 86 ASP C C 121 174.734 174.734 175.694 -0.960 18179 11058 1 18 . 1 1 86 86 ASP CA C 121 51.999 51.999 52.901 -0.902 18179 11059 1 18 . 1 1 86 86 ASP CB C 121 40.327 40.327 38.680 1.647 18179 11060 1 18 . 1 1 86 86 ASP H H 121 8.882 8.882 8.211 0.671 18179 11061 1 18 . 1 1 87 87 GLY N N 122 106.815 106.815 106.905 -0.090 18179 11062 1 18 . 1 1 87 87 GLY C C 122 173.401 173.401 173.701 -0.300 18179 11063 1 18 . 1 1 87 87 GLY CA C 122 43.814 43.814 44.140 -0.326 18179 11064 1 18 . 1 1 87 87 GLY H H 122 6.973 6.973 7.733 -0.760 18179 11065 1 18 . 1 1 88 88 GLN N N 123 118.319 118.319 121.647 -3.328 18179 11066 1 18 . 1 1 88 88 GLN HA H 123 3.984 3.984 4.304 -0.320 18179 11067 1 18 . 1 1 88 88 GLN C C 123 174.141 174.141 174.325 -0.184 18179 11068 1 18 . 1 1 88 88 GLN CA C 123 54.717 54.717 54.944 -0.227 18179 11069 1 18 . 1 1 88 88 GLN CB C 123 27.267 27.267 29.367 -2.100 18179 11070 1 18 . 1 1 88 88 GLN H H 123 8.224 8.224 7.794 0.430 18179 11071 1 18 . 1 1 89 89 TYR N N 124 117.220 117.220 115.629 1.591 18179 11072 1 18 . 1 1 89 89 TYR HA H 124 4.596 4.596 4.928 -0.332 18179 11073 1 18 . 1 1 89 89 TYR C C 124 173.402 173.402 174.547 -1.145 18179 11074 1 18 . 1 1 89 89 TYR CA C 124 54.672 54.672 54.437 0.235 18179 11075 1 18 . 1 1 89 89 TYR CB C 124 38.970 38.970 38.663 0.307 18179 11076 1 18 . 1 1 89 89 TYR H H 124 5.954 5.954 6.699 -0.745 18179 11077 1 18 . 1 1 90 90 VAL N N 125 109.249 109.249 121.344 -12.095 18179 11078 1 18 . 1 1 90 90 VAL HA H 125 4.572 4.572 4.399 0.173 18179 11079 1 18 . 1 1 90 90 VAL C C 125 173.254 173.254 176.335 -3.081 18179 11080 1 18 . 1 1 90 90 VAL CA C 125 57.982 57.982 60.547 -2.565 18179 11081 1 18 . 1 1 90 90 VAL CB C 125 35.376 35.376 32.164 3.212 18179 11082 1 18 . 1 1 90 90 VAL H H 125 8.303 8.303 8.439 -0.136 18179 11083 1 18 . 1 1 92 92 ARG HA H 127 5.178 5.178 4.797 0.381 18179 11084 1 18 . 1 1 92 92 ARG CA C 127 55.689 55.689 54.695 0.994 18179 11085 1 18 . 1 1 93 93 ILE N N 128 127.696 127.696 122.440 5.256 18179 11086 1 18 . 1 1 93 93 ILE HA H 128 5.088 5.088 4.922 0.166 18179 11087 1 18 . 1 1 93 93 ILE CA C 128 61.063 61.063 60.918 0.145 18179 11088 1 18 . 1 1 93 93 ILE CB C 128 39.101 39.101 38.283 0.818 18179 11089 1 18 . 1 1 93 93 ILE H H 128 9.099 9.099 7.815 1.284 18179 11090 1 18 . 1 1 94 94 MET N N 129 122.683 122.683 124.083 -1.400 18179 11091 1 18 . 1 1 94 94 MET C C 129 174.006 174.006 174.167 -0.161 18179 11092 1 18 . 1 1 94 94 MET CA C 129 51.503 51.503 53.696 -2.193 18179 11093 1 18 . 1 1 94 94 MET CB C 129 34.764 34.764 37.350 -2.586 18179 11094 1 18 . 1 1 94 94 MET H H 129 8.496 8.496 8.651 -0.155 18179 11095 1 18 . 1 1 95 95 PHE N N 130 118.014 118.014 121.289 -3.275 18179 11096 1 18 . 1 1 95 95 PHE HA H 130 5.589 5.589 5.345 0.244 18179 11097 1 18 . 1 1 95 95 PHE C C 130 174.811 174.811 172.892 1.919 18179 11098 1 18 . 1 1 95 95 PHE CA C 130 56.432 56.432 57.032 -0.600 18179 11099 1 18 . 1 1 95 95 PHE CB C 130 41.941 41.941 41.575 0.366 18179 11100 1 18 . 1 1 95 95 PHE H H 130 8.573 8.573 8.381 0.192 18179 11101 1 18 . 1 1 96 96 VAL N N 131 122.847 122.847 124.363 -1.516 18179 11102 1 18 . 1 1 96 96 VAL HA H 131 4.337 4.337 3.986 0.351 18179 11103 1 18 . 1 1 96 96 VAL C C 131 174.303 174.303 173.307 0.996 18179 11104 1 18 . 1 1 96 96 VAL CA C 131 61.405 61.405 60.504 0.901 18179 11105 1 18 . 1 1 96 96 VAL CB C 131 34.679 34.679 36.528 -1.849 18179 11106 1 18 . 1 1 96 96 VAL H H 131 9.855 9.855 7.925 1.930 18179 11107 1 18 . 1 1 97 97 ASP N N 132 128.042 128.042 120.410 7.632 18179 11108 1 18 . 1 1 97 97 ASP HA H 132 4.883 4.883 4.862 0.021 18179 11109 1 18 . 1 1 97 97 ASP C C 132 174.958 174.958 173.843 1.115 18179 11110 1 18 . 1 1 97 97 ASP CA C 132 53.082 53.082 51.786 1.296 18179 11111 1 18 . 1 1 97 97 ASP CB C 132 45.484 45.484 44.631 0.853 18179 11112 1 18 . 1 1 97 97 ASP H H 132 8.399 8.399 8.102 0.297 18179 11113 1 18 . 1 1 98 98 PRO HA H 133 4.566 4.566 4.330 0.236 18179 11114 1 18 . 1 1 98 98 PRO C C 133 175.650 175.650 177.018 -1.368 18179 11115 1 18 . 1 1 98 98 PRO CA C 133 65.207 65.207 64.972 0.235 18179 11116 1 18 . 1 1 98 98 PRO CB C 133 31.858 31.858 32.232 -0.374 18179 11117 1 18 . 1 1 99 99 SER N N 134 111.171 111.171 112.311 -1.140 18179 11118 1 18 . 1 1 99 99 SER HA H 134 4.122 4.122 4.333 -0.211 18179 11119 1 18 . 1 1 99 99 SER C C 134 175.303 175.303 176.202 -0.899 18179 11120 1 18 . 1 1 99 99 SER CA C 134 60.237 60.237 60.535 -0.298 18179 11121 1 18 . 1 1 99 99 SER CB C 134 64.471 64.471 63.946 0.525 18179 11122 1 18 . 1 1 99 99 SER H H 134 8.154 8.154 8.296 -0.142 18179 11123 1 18 . 1 1 100 100 LEU N N 135 118.112 118.112 120.572 -2.460 18179 11124 1 18 . 1 1 100 100 LEU HA H 135 3.683 3.683 4.210 -0.527 18179 11125 1 18 . 1 1 100 100 LEU C C 135 175.886 175.886 176.625 -0.739 18179 11126 1 18 . 1 1 100 100 LEU CA C 135 56.548 56.548 56.718 -0.170 18179 11127 1 18 . 1 1 100 100 LEU CB C 135 36.922 36.922 42.408 -5.486 18179 11128 1 18 . 1 1 100 100 LEU H H 135 9.194 9.194 9.228 -0.034 18179 11129 1 18 . 1 1 101 101 THR N N 136 116.048 116.048 109.410 6.638 18179 11130 1 18 . 1 1 101 101 THR HA H 136 4.191 4.191 3.915 0.276 18179 11131 1 18 . 1 1 101 101 THR C C 136 173.771 173.771 173.936 -0.165 18179 11132 1 18 . 1 1 101 101 THR CA C 136 62.123 62.123 63.033 -0.910 18179 11133 1 18 . 1 1 101 101 THR CB C 136 70.407 70.407 68.124 2.283 18179 11134 1 18 . 1 1 101 101 THR H H 136 7.022 7.022 7.572 -0.550 18179 11135 1 18 . 1 1 102 102 VAL N N 137 129.098 129.098 122.308 6.790 18179 11136 1 18 . 1 1 102 102 VAL HA H 137 3.874 3.874 3.902 -0.028 18179 11137 1 18 . 1 1 102 102 VAL C C 137 177.079 177.079 176.304 0.775 18179 11138 1 18 . 1 1 102 102 VAL CA C 137 64.163 64.163 61.955 2.208 18179 11139 1 18 . 1 1 102 102 VAL CB C 137 31.858 31.858 31.352 0.506 18179 11140 1 18 . 1 1 102 102 VAL H H 137 9.039 9.039 8.291 0.748 18179 11141 1 18 . 1 1 103 103 ARG N N 138 128.421 128.421 128.934 -0.513 18179 11142 1 18 . 1 1 103 103 ARG HA H 138 4.724 4.724 4.436 0.288 18179 11143 1 18 . 1 1 103 103 ARG C C 138 177.315 177.315 175.715 1.600 18179 11144 1 18 . 1 1 103 103 ARG CA C 138 50.845 50.845 54.876 -4.031 18179 11145 1 18 . 1 1 103 103 ARG CB C 138 25.210 25.210 31.334 -6.124 18179 11146 1 18 . 1 1 103 103 ARG H H 138 9.355 9.355 8.832 0.523 18179 11147 1 18 . 1 1 104 104 ALA N N 139 130.638 130.638 121.287 9.351 18179 11148 1 18 . 1 1 104 104 ALA HA H 139 4.128 4.128 4.695 -0.567 18179 11149 1 18 . 1 1 104 104 ALA C C 139 170.819 170.819 176.761 -5.942 18179 11150 1 18 . 1 1 104 104 ALA CA C 139 53.517 53.517 51.971 1.546 18179 11151 1 18 . 1 1 104 104 ALA CB C 139 18.047 18.047 20.462 -2.415 18179 11152 1 18 . 1 1 104 104 ALA H H 139 8.340 8.340 8.486 -0.146 18179 11153 1 18 . 1 1 105 105 ASP N N 140 113.599 113.599 119.060 -5.461 18179 11154 1 18 . 1 1 105 105 ASP HA H 140 4.356 4.356 4.699 -0.343 18179 11155 1 18 . 1 1 105 105 ASP C C 140 175.173 175.173 175.725 -0.552 18179 11156 1 18 . 1 1 105 105 ASP CA C 140 54.097 54.097 55.227 -1.130 18179 11157 1 18 . 1 1 105 105 ASP CB C 140 39.219 39.219 41.304 -2.085 18179 11158 1 18 . 1 1 105 105 ASP H H 140 9.653 9.653 8.613 1.040 18179 11159 1 18 . 1 1 106 106 ILE N N 141 122.867 122.867 120.495 2.372 18179 11160 1 18 . 1 1 106 106 ILE HA H 141 4.332 4.332 4.352 -0.020 18179 11161 1 18 . 1 1 106 106 ILE C C 141 174.778 174.778 174.887 -0.109 18179 11162 1 18 . 1 1 106 106 ILE CA C 141 62.464 62.464 60.532 1.932 18179 11163 1 18 . 1 1 106 106 ILE CB C 141 36.210 36.210 40.087 -3.877 18179 11164 1 18 . 1 1 106 106 ILE H H 141 7.541 7.541 7.615 -0.074 18179 11165 1 18 . 1 1 107 107 THR N N 142 117.525 117.525 120.152 -2.627 18179 11166 1 18 . 1 1 107 107 THR HA H 142 4.721 4.721 5.316 -0.595 18179 11167 1 18 . 1 1 107 107 THR C C 142 175.898 175.898 174.417 1.481 18179 11168 1 18 . 1 1 107 107 THR CA C 142 59.199 59.199 59.520 -0.321 18179 11169 1 18 . 1 1 107 107 THR CB C 142 71.817 71.817 70.543 1.274 18179 11170 1 18 . 1 1 107 107 THR H H 142 7.816 7.816 8.430 -0.614 18179 11171 1 18 . 1 1 108 108 GLY N N 143 109.853 109.853 113.157 -3.304 18179 11172 1 18 . 1 1 108 108 GLY C C 143 174.389 174.389 172.564 1.825 18179 11173 1 18 . 1 1 108 108 GLY CA C 143 44.291 44.291 44.885 -0.593 18179 11174 1 18 . 1 1 108 108 GLY H H 143 8.891 8.891 8.140 0.751 18179 11175 1 18 . 1 1 109 109 ARG N N 144 116.076 116.076 119.016 -2.940 18179 11176 1 18 . 1 1 109 109 ARG HA H 144 4.006 4.006 4.013 -0.007 18179 11177 1 18 . 1 1 109 109 ARG C C 144 176.521 176.521 173.734 2.787 18179 11178 1 18 . 1 1 109 109 ARG CA C 144 55.989 55.989 54.635 1.354 18179 11179 1 18 . 1 1 109 109 ARG CB C 144 30.851 30.851 31.032 -0.181 18179 11180 1 18 . 1 1 109 109 ARG H H 144 8.108 8.108 7.873 0.235 18179 11181 1 18 . 1 1 110 110 TYR N N 145 123.010 123.010 119.163 3.847 18179 11182 1 18 . 1 1 110 110 TYR HA H 145 4.506 4.506 4.867 -0.361 18179 11183 1 18 . 1 1 110 110 TYR C C 145 178.395 178.395 175.561 2.834 18179 11184 1 18 . 1 1 110 110 TYR CA C 145 57.217 57.217 57.323 -0.106 18179 11185 1 18 . 1 1 110 110 TYR CB C 145 37.232 37.232 37.836 -0.604 18179 11186 1 18 . 1 1 110 110 TYR H H 145 8.825 8.825 8.230 0.595 18179 11187 1 18 . 1 1 111 111 SER N N 146 120.152 120.152 117.374 2.778 18179 11188 1 18 . 1 1 111 111 SER HA H 146 3.948 3.948 4.234 -0.286 18179 11189 1 18 . 1 1 111 111 SER C C 146 174.939 174.939 175.325 -0.386 18179 11190 1 18 . 1 1 111 111 SER CA C 146 60.850 60.850 59.946 0.904 18179 11191 1 18 . 1 1 111 111 SER CB C 146 62.776 62.776 63.523 -0.746 18179 11192 1 18 . 1 1 111 111 SER H H 146 8.616 8.616 8.521 0.095 18179 11193 1 18 . 1 1 112 112 ASN N N 147 116.146 116.146 113.780 2.366 18179 11194 1 18 . 1 1 112 112 ASN HA H 147 4.558 4.558 4.680 -0.122 18179 11195 1 18 . 1 1 112 112 ASN C C 147 173.693 173.693 173.337 0.356 18179 11196 1 18 . 1 1 112 112 ASN CA C 147 53.209 53.209 53.833 -0.624 18179 11197 1 18 . 1 1 112 112 ASN CB C 147 37.534 37.534 38.233 -0.699 18179 11198 1 18 . 1 1 112 112 ASN H H 147 8.374 8.374 8.304 0.070 18179 11199 1 18 . 1 1 113 113 ARG N N 148 121.673 121.673 119.898 1.775 18179 11200 1 18 . 1 1 113 113 ARG HA H 148 4.226 4.226 4.554 -0.328 18179 11201 1 18 . 1 1 113 113 ARG C C 148 176.358 176.358 174.102 2.256 18179 11202 1 18 . 1 1 113 113 ARG CA C 148 55.251 55.251 55.700 -0.449 18179 11203 1 18 . 1 1 113 113 ARG CB C 148 30.973 30.973 31.347 -0.374 18179 11204 1 18 . 1 1 113 113 ARG H H 148 6.782 6.782 7.606 -0.824 18179 11205 1 18 . 1 1 114 114 LEU N N 149 125.966 125.966 122.653 3.313 18179 11206 1 18 . 1 1 114 114 LEU HA H 149 3.776 3.776 4.519 -0.743 18179 11207 1 18 . 1 1 114 114 LEU C C 149 175.787 175.787 176.026 -0.239 18179 11208 1 18 . 1 1 114 114 LEU CA C 149 57.640 57.640 55.431 2.209 18179 11209 1 18 . 1 1 114 114 LEU CB C 149 43.153 43.153 43.192 -0.039 18179 11210 1 18 . 1 1 114 114 LEU H H 149 9.976 9.976 8.686 1.290 18179 11211 1 18 . 1 1 115 115 TYR N N 150 115.137 115.137 118.427 -3.290 18179 11212 1 18 . 1 1 115 115 TYR HA H 150 4.947 4.947 4.558 0.389 18179 11213 1 18 . 1 1 115 115 TYR C C 150 174.449 174.449 174.978 -0.529 18179 11214 1 18 . 1 1 115 115 TYR CA C 150 55.986 55.986 58.054 -2.068 18179 11215 1 18 . 1 1 115 115 TYR CB C 150 38.660 38.660 37.900 0.760 18179 11216 1 18 . 1 1 115 115 TYR H H 150 8.272 8.272 8.113 0.159 18179 11217 1 18 . 1 1 116 116 ALA N N 151 121.349 121.349 129.122 -7.773 18179 11218 1 18 . 1 1 116 116 ALA HA H 151 5.086 5.086 4.571 0.515 18179 11219 1 18 . 1 1 116 116 ALA C C 151 177.541 177.541 175.469 2.072 18179 11220 1 18 . 1 1 116 116 ALA CA C 151 51.614 51.614 50.917 0.697 18179 11221 1 18 . 1 1 116 116 ALA CB C 151 21.262 21.262 21.251 0.011 18179 11222 1 18 . 1 1 116 116 ALA H H 151 7.515 7.515 8.076 -0.561 18179 11223 1 18 . 1 1 117 117 TYR N N 152 115.287 115.287 113.458 1.829 18179 11224 1 18 . 1 1 117 117 TYR HA H 152 4.693 4.693 4.766 -0.073 18179 11225 1 18 . 1 1 117 117 TYR C C 152 173.749 173.749 175.261 -1.512 18179 11226 1 18 . 1 1 117 117 TYR CA C 152 58.142 58.142 56.590 1.552 18179 11227 1 18 . 1 1 117 117 TYR CB C 152 42.827 42.827 39.132 3.695 18179 11228 1 18 . 1 1 117 117 TYR H H 152 6.916 6.916 7.746 -0.830 18179 11229 1 18 . 1 1 118 118 GLU N N 153 122.624 122.624 122.315 0.309 18179 11230 1 18 . 1 1 118 118 GLU HA H 153 4.951 4.951 4.511 0.440 18179 11231 1 18 . 1 1 118 118 GLU C C 153 175.895 175.895 176.430 -0.535 18179 11232 1 18 . 1 1 118 118 GLU CA C 153 54.029 54.029 55.439 -1.410 18179 11233 1 18 . 1 1 118 118 GLU CB C 153 29.513 29.513 29.637 -0.124 18179 11234 1 18 . 1 1 118 118 GLU H H 153 9.508 9.508 7.942 1.566 18179 11235 1 18 . 1 1 119 119 PRO HA H 154 4.119 4.119 4.225 -0.106 18179 11236 1 18 . 1 1 119 119 PRO C C 154 176.457 176.457 177.487 -1.030 18179 11237 1 18 . 1 1 119 119 PRO CA C 154 66.240 66.240 65.444 0.796 18179 11238 1 18 . 1 1 119 119 PRO CB C 154 31.682 31.682 31.837 -0.155 18179 11239 1 18 . 1 1 120 120 ALA N N 155 114.721 114.721 117.753 -3.032 18179 11240 1 18 . 1 1 120 120 ALA HA H 155 4.372 4.372 4.132 0.240 18179 11241 1 18 . 1 1 120 120 ALA C C 155 178.528 178.528 178.450 0.078 18179 11242 1 18 . 1 1 120 120 ALA CA C 155 53.148 53.148 54.032 -0.884 18179 11243 1 18 . 1 1 120 120 ALA CB C 155 18.782 18.782 18.624 0.158 18179 11244 1 18 . 1 1 120 120 ALA H H 155 7.697 7.697 8.400 -0.703 18179 11245 1 18 . 1 1 121 121 ASP N N 156 117.502 117.502 118.447 -0.945 18179 11246 1 18 . 1 1 121 121 ASP HA H 156 5.154 5.154 4.807 0.347 18179 11247 1 18 . 1 1 121 121 ASP C C 156 176.756 176.756 176.828 -0.072 18179 11248 1 18 . 1 1 121 121 ASP CA C 156 54.742 54.742 54.480 0.263 18179 11249 1 18 . 1 1 121 121 ASP CB C 156 42.326 42.326 40.417 1.909 18179 11250 1 18 . 1 1 121 121 ASP H H 156 8.493 8.493 7.951 0.542 18179 11251 1 18 . 1 1 122 122 THR N N 157 111.372 111.372 111.550 -0.178 18179 11252 1 18 . 1 1 122 122 THR HA H 157 3.738 3.738 4.235 -0.497 18179 11253 1 18 . 1 1 122 122 THR C C 157 176.023 176.023 175.891 0.132 18179 11254 1 18 . 1 1 122 122 THR CA C 157 66.673 66.673 64.788 1.885 18179 11255 1 18 . 1 1 122 122 THR CB C 157 67.967 67.967 68.814 -0.846 18179 11256 1 18 . 1 1 122 122 THR H H 157 7.428 7.428 7.612 -0.184 18179 11257 1 18 . 1 1 123 123 ALA N N 158 123.853 123.853 124.948 -1.095 18179 11258 1 18 . 1 1 123 123 ALA HA H 158 4.133 4.133 4.151 -0.018 18179 11259 1 18 . 1 1 123 123 ALA C C 158 179.987 179.987 179.032 0.955 18179 11260 1 18 . 1 1 123 123 ALA CA C 158 55.545 55.545 54.873 0.672 18179 11261 1 18 . 1 1 123 123 ALA CB C 158 17.458 17.458 18.087 -0.629 18179 11262 1 18 . 1 1 123 123 ALA H H 158 8.663 8.663 7.994 0.669 18179 11263 1 18 . 1 1 124 124 LEU N N 159 121.199 121.199 119.264 1.935 18179 11264 1 18 . 1 1 124 124 LEU HA H 159 4.229 4.229 4.130 0.099 18179 11265 1 18 . 1 1 124 124 LEU C C 159 178.342 178.342 178.478 -0.136 18179 11266 1 18 . 1 1 124 124 LEU CA C 159 57.329 57.329 56.827 0.502 18179 11267 1 18 . 1 1 124 124 LEU CB C 159 41.956 41.956 42.209 -0.253 18179 11268 1 18 . 1 1 124 124 LEU H H 159 7.444 7.444 7.794 -0.350 18179 11269 1 18 . 1 1 125 125 LEU N N 160 119.836 119.836 121.164 -1.328 18179 11270 1 18 . 1 1 125 125 LEU HA H 160 3.963 3.963 4.035 -0.072 18179 11271 1 18 . 1 1 125 125 LEU C C 160 178.168 178.168 178.775 -0.607 18179 11272 1 18 . 1 1 125 125 LEU CA C 160 58.475 58.475 57.790 0.685 18179 11273 1 18 . 1 1 125 125 LEU CB C 160 40.915 40.915 40.971 -0.056 18179 11274 1 18 . 1 1 125 125 LEU H H 160 8.430 8.430 7.962 0.468 18179 11275 1 18 . 1 1 126 126 LEU N N 161 120.046 120.046 119.469 0.577 18179 11276 1 18 . 1 1 126 126 LEU HA H 161 4.000 4.000 4.067 -0.067 18179 11277 1 18 . 1 1 126 126 LEU C C 161 178.848 178.848 178.652 0.196 18179 11278 1 18 . 1 1 126 126 LEU CA C 161 58.524 58.524 58.025 0.499 18179 11279 1 18 . 1 1 126 126 LEU CB C 161 42.005 42.005 41.215 0.790 18179 11280 1 18 . 1 1 126 126 LEU H H 161 8.127 8.127 8.143 -0.016 18179 11281 1 18 . 1 1 127 127 ASP N N 162 119.057 119.057 117.563 1.494 18179 11282 1 18 . 1 1 127 127 ASP HA H 162 4.267 4.267 4.396 -0.129 18179 11283 1 18 . 1 1 127 127 ASP C C 162 179.299 179.299 178.289 1.010 18179 11284 1 18 . 1 1 127 127 ASP CA C 162 57.699 57.699 57.320 0.379 18179 11285 1 18 . 1 1 127 127 ASP CB C 162 40.564 40.564 40.998 -0.434 18179 11286 1 18 . 1 1 127 127 ASP H H 162 7.872 7.872 7.467 0.405 18179 11287 1 18 . 1 1 128 128 ASN N N 163 122.268 122.268 118.886 3.382 18179 11288 1 18 . 1 1 128 128 ASN HA H 163 4.423 4.423 4.400 0.023 18179 11289 1 18 . 1 1 128 128 ASN C C 163 177.256 177.256 177.462 -0.206 18179 11290 1 18 . 1 1 128 128 ASN CA C 163 54.502 54.502 56.054 -1.552 18179 11291 1 18 . 1 1 128 128 ASN CB C 163 36.821 36.821 38.714 -1.893 18179 11292 1 18 . 1 1 128 128 ASN H H 163 8.711 8.711 8.359 0.352 18179 11293 1 18 . 1 1 129 129 MET N N 164 122.448 122.448 117.888 4.560 18179 11294 1 18 . 1 1 129 129 MET HA H 164 3.583 3.583 4.240 -0.657 18179 11295 1 18 . 1 1 129 129 MET C C 164 178.272 178.272 177.871 0.401 18179 11296 1 18 . 1 1 129 129 MET CA C 164 59.617 59.617 59.365 0.252 18179 11297 1 18 . 1 1 129 129 MET CB C 164 34.481 34.481 32.426 2.055 18179 11298 1 18 . 1 1 129 129 MET H H 164 8.704 8.704 8.624 0.080 18179 11299 1 18 . 1 1 130 130 LYS N N 165 117.243 117.243 118.720 -1.477 18179 11300 1 18 . 1 1 130 130 LYS HA H 165 3.869 3.869 4.016 -0.147 18179 11301 1 18 . 1 1 130 130 LYS C C 165 180.050 180.050 178.203 1.847 18179 11302 1 18 . 1 1 130 130 LYS CA C 165 60.517 60.517 58.747 1.770 18179 11303 1 18 . 1 1 130 130 LYS CB C 165 31.836 31.836 31.890 -0.054 18179 11304 1 18 . 1 1 130 130 LYS H H 165 7.767 7.767 7.440 0.327 18179 11305 1 18 . 1 1 131 131 LYS N N 166 120.486 120.486 117.998 2.488 18179 11306 1 18 . 1 1 131 131 LYS HA H 166 3.853 3.853 4.077 -0.224 18179 11307 1 18 . 1 1 131 131 LYS C C 166 179.232 179.232 179.059 0.173 18179 11308 1 18 . 1 1 131 131 LYS CA C 166 60.171 60.171 58.130 2.041 18179 11309 1 18 . 1 1 131 131 LYS CB C 166 32.783 32.783 32.259 0.524 18179 11310 1 18 . 1 1 131 131 LYS H H 166 7.914 7.914 7.821 0.093 18179 11311 1 18 . 1 1 132 132 ALA N N 167 122.426 122.426 121.290 1.136 18179 11312 1 18 . 1 1 132 132 ALA HA H 167 3.625 3.625 4.344 -0.719 18179 11313 1 18 . 1 1 132 132 ALA C C 167 177.616 177.616 179.938 -2.322 18179 11314 1 18 . 1 1 132 132 ALA CA C 167 54.246 54.246 53.888 0.358 18179 11315 1 18 . 1 1 132 132 ALA CB C 167 18.261 18.261 18.301 -0.040 18179 11316 1 18 . 1 1 132 132 ALA H H 167 7.801 7.801 8.317 -0.516 18179 11317 1 18 . 1 1 133 133 LEU N N 168 113.735 113.735 118.477 -4.742 18179 11318 1 18 . 1 1 133 133 LEU HA H 168 3.747 3.747 3.698 0.049 18179 11319 1 18 . 1 1 133 133 LEU C C 168 177.322 177.322 175.897 1.425 18179 11320 1 18 . 1 1 133 133 LEU CA C 168 55.892 55.892 56.028 -0.136 18179 11321 1 18 . 1 1 133 133 LEU CB C 168 42.159 42.159 41.819 0.340 18179 11322 1 18 . 1 1 133 133 LEU H H 168 7.010 7.010 7.596 -0.586 18179 11323 1 18 . 1 1 134 134 LYS N N 169 123.034 123.034 116.187 6.847 18179 11324 1 18 . 1 1 134 134 LYS HA H 169 4.331 4.331 3.867 0.464 18179 11325 1 18 . 1 1 134 134 LYS C C 169 174.307 174.307 173.990 0.317 18179 11326 1 18 . 1 1 134 134 LYS CA C 169 55.382 55.382 55.166 0.216 18179 11327 1 18 . 1 1 134 134 LYS CB C 169 29.718 29.718 33.929 -4.211 18179 11328 1 18 . 1 1 134 134 LYS H H 169 7.202 7.202 7.204 -0.002 18179 11329 1 18 . 1 1 135 135 LEU N N 170 120.490 120.490 117.669 2.821 18179 11330 1 18 . 1 1 135 135 LEU HA H 170 3.980 3.980 4.952 -0.972 18179 11331 1 18 . 1 1 135 135 LEU C C 170 178.427 178.427 174.678 3.749 18179 11332 1 18 . 1 1 135 135 LEU CA C 170 54.884 54.884 54.550 0.334 18179 11333 1 18 . 1 1 135 135 LEU CB C 170 40.903 40.903 45.303 -4.400 18179 11334 1 18 . 1 1 135 135 LEU H H 170 7.334 7.334 7.223 0.111 18179 11335 1 18 . 1 1 136 136 LEU N N 171 120.084 120.084 122.416 -2.332 18179 11336 1 18 . 1 1 136 136 LEU HA H 171 4.040 4.040 4.600 -0.560 18179 11337 1 18 . 1 1 136 136 LEU C C 171 178.231 178.231 176.528 1.703 18179 11338 1 18 . 1 1 136 136 LEU CA C 171 55.750 55.750 55.870 -0.119 18179 11339 1 18 . 1 1 136 136 LEU CB C 171 41.734 41.734 44.301 -2.567 18179 11340 1 18 . 1 1 136 136 LEU H H 171 8.614 8.614 8.848 -0.234 18179 11341 1 18 . 1 1 137 137 LYS N N 172 121.059 121.059 117.960 3.099 18179 11342 1 18 . 1 1 137 137 LYS HA H 172 4.333 4.333 4.716 -0.383 18179 11343 1 18 . 1 1 137 137 LYS C C 172 174.388 174.388 175.576 -1.188 18179 11344 1 18 . 1 1 137 137 LYS CA C 172 55.903 55.903 55.863 0.040 18179 11345 1 18 . 1 1 137 137 LYS CB C 172 32.681 32.681 34.359 -1.678 18179 11346 1 18 . 1 1 137 137 LYS H H 172 8.468 8.468 8.159 0.309 18179 11347 1 18 . 1 1 138 138 THR N N 173 116.267 116.267 114.686 1.581 18179 11348 1 18 . 1 1 138 138 THR HA H 173 4.261 4.261 4.485 -0.224 18179 11349 1 18 . 1 1 138 138 THR C C 173 174.267 174.267 174.069 0.198 18179 11350 1 18 . 1 1 138 138 THR CA C 173 61.867 61.867 61.189 0.678 18179 11351 1 18 . 1 1 138 138 THR CB C 173 69.848 69.848 69.526 0.322 18179 11352 1 18 . 1 1 138 138 THR H H 173 8.095 8.095 8.476 -0.381 18179 11353 1 18 . 1 1 139 139 GLU N N 174 123.648 123.648 120.968 2.680 18179 11354 1 18 . 1 1 139 139 GLU HA H 174 4.288 4.288 4.582 -0.294 18179 11355 1 18 . 1 1 139 139 GLU C C 174 175.178 175.178 175.149 0.029 18179 11356 1 18 . 1 1 139 139 GLU CA C 174 56.205 56.205 55.174 1.031 18179 11357 1 18 . 1 1 139 139 GLU CB C 174 30.353 30.353 30.917 -0.564 18179 11358 1 18 . 1 1 139 139 GLU H H 174 8.293 8.293 7.973 0.320 18179 11359 1 19 . 1 1 17 17 LEU N N 52 120.529 120.529 122.889 -2.360 18179 11360 1 19 . 1 1 17 17 LEU HA H 52 4.317 4.317 4.855 -0.538 18179 11361 1 19 . 1 1 17 17 LEU CA C 52 53.456 53.456 54.504 -1.048 18179 11362 1 19 . 1 1 17 17 LEU CB C 52 42.494 42.494 42.525 -0.031 18179 11363 1 19 . 1 1 17 17 LEU H H 52 7.103 7.103 8.333 -1.230 18179 11364 1 19 . 1 1 18 18 ILE CB C 53 36.458 36.458 39.011 -2.553 18179 11365 1 19 . 1 1 23 23 TYR HA H 58 4.359 4.359 4.227 0.132 18179 11366 1 19 . 1 1 23 23 TYR C C 58 176.387 176.387 176.659 -0.272 18179 11367 1 19 . 1 1 23 23 TYR CA C 58 59.597 59.597 59.342 0.256 18179 11368 1 19 . 1 1 23 23 TYR CB C 58 38.572 38.572 37.318 1.254 18179 11369 1 19 . 1 1 24 24 GLU N N 59 117.335 117.335 120.612 -3.277 18179 11370 1 19 . 1 1 24 24 GLU CA C 59 60.871 60.871 58.137 2.734 18179 11371 1 19 . 1 1 24 24 GLU CB C 59 28.494 28.494 28.812 -0.318 18179 11372 1 19 . 1 1 24 24 GLU H H 59 9.191 9.191 7.957 1.234 18179 11373 1 19 . 1 1 25 25 ALA N N 60 120.861 120.861 121.424 -0.563 18179 11374 1 19 . 1 1 25 25 ALA CA C 60 54.555 54.555 54.668 -0.113 18179 11375 1 19 . 1 1 25 25 ALA CB C 60 18.528 18.528 18.207 0.321 18179 11376 1 19 . 1 1 25 25 ALA H H 60 7.688 7.688 7.479 0.209 18179 11377 1 19 . 1 1 26 26 ALA N N 61 123.402 123.402 121.776 1.626 18179 11378 1 19 . 1 1 26 26 ALA HA H 61 3.900 3.900 4.129 -0.229 18179 11379 1 19 . 1 1 26 26 ALA CA C 61 55.346 55.346 54.946 0.400 18179 11380 1 19 . 1 1 26 26 ALA CB C 61 19.104 19.104 18.218 0.886 18179 11381 1 19 . 1 1 26 26 ALA H H 61 8.225 8.225 7.591 0.634 18179 11382 1 19 . 1 1 27 27 LEU N N 62 118.742 118.742 118.191 0.551 18179 11383 1 19 . 1 1 27 27 LEU HA H 62 3.700 3.700 4.129 -0.429 18179 11384 1 19 . 1 1 27 27 LEU C C 62 171.911 171.911 179.271 -7.360 18179 11385 1 19 . 1 1 27 27 LEU CA C 62 57.654 57.654 57.361 0.293 18179 11386 1 19 . 1 1 27 27 LEU CB C 62 41.905 41.905 41.809 0.096 18179 11387 1 19 . 1 1 27 27 LEU H H 62 8.336 8.336 7.928 0.408 18179 11388 1 19 . 1 1 28 28 TYR N N 63 117.594 117.594 119.387 -1.793 18179 11389 1 19 . 1 1 28 28 TYR HA H 63 4.007 4.007 4.152 -0.145 18179 11390 1 19 . 1 1 28 28 TYR C C 63 179.075 179.075 177.084 1.991 18179 11391 1 19 . 1 1 28 28 TYR CA C 63 61.769 61.769 61.238 0.531 18179 11392 1 19 . 1 1 28 28 TYR CB C 63 38.071 38.071 38.405 -0.334 18179 11393 1 19 . 1 1 28 28 TYR H H 63 7.279 7.279 7.351 -0.072 18179 11394 1 19 . 1 1 29 29 LYS N N 64 121.077 121.077 121.044 0.033 18179 11395 1 19 . 1 1 29 29 LYS HA H 64 3.663 3.663 3.810 -0.147 18179 11396 1 19 . 1 1 29 29 LYS C C 64 176.394 176.394 178.994 -2.600 18179 11397 1 19 . 1 1 29 29 LYS CA C 64 59.230 59.230 58.878 0.352 18179 11398 1 19 . 1 1 29 29 LYS CB C 64 32.573 32.573 32.255 0.319 18179 11399 1 19 . 1 1 29 29 LYS H H 64 8.472 8.472 7.841 0.631 18179 11400 1 19 . 1 1 30 30 SER N N 65 117.933 117.933 114.970 2.963 18179 11401 1 19 . 1 1 30 30 SER HA H 65 4.160 4.160 4.222 -0.062 18179 11402 1 19 . 1 1 30 30 SER C C 65 176.518 176.518 176.980 -0.462 18179 11403 1 19 . 1 1 30 30 SER CA C 65 61.706 61.706 61.267 0.438 18179 11404 1 19 . 1 1 30 30 SER CB C 65 64.022 64.022 63.083 0.939 18179 11405 1 19 . 1 1 30 30 SER H H 65 8.500 8.500 8.474 0.026 18179 11406 1 19 . 1 1 31 31 LYS N N 66 117.248 117.248 123.411 -6.163 18179 11407 1 19 . 1 1 31 31 LYS HA H 66 4.301 4.301 3.955 0.346 18179 11408 1 19 . 1 1 31 31 LYS C C 66 179.721 179.721 179.278 0.443 18179 11409 1 19 . 1 1 31 31 LYS CA C 66 59.165 59.165 59.175 -0.010 18179 11410 1 19 . 1 1 31 31 LYS CB C 66 32.372 32.372 32.300 0.072 18179 11411 1 19 . 1 1 31 31 LYS H H 66 8.020 8.020 7.895 0.125 18179 11412 1 19 . 1 1 32 32 THR N N 67 109.772 109.772 111.418 -1.646 18179 11413 1 19 . 1 1 32 32 THR HA H 67 3.883 3.883 4.077 -0.194 18179 11414 1 19 . 1 1 32 32 THR C C 67 176.237 176.237 175.721 0.516 18179 11415 1 19 . 1 1 32 32 THR CA C 67 64.813 64.813 64.986 -0.173 18179 11416 1 19 . 1 1 32 32 THR CB C 67 69.445 69.445 68.382 1.063 18179 11417 1 19 . 1 1 32 32 THR H H 67 7.844 7.844 7.802 0.042 18179 11418 1 19 . 1 1 33 33 SER N N 68 115.610 115.610 115.488 0.122 18179 11419 1 19 . 1 1 33 33 SER HA H 68 4.369 4.369 4.542 -0.173 18179 11420 1 19 . 1 1 33 33 SER C C 68 174.628 174.628 173.951 0.677 18179 11421 1 19 . 1 1 33 33 SER CA C 68 59.242 59.242 57.939 1.303 18179 11422 1 19 . 1 1 33 33 SER CB C 68 65.166 65.166 64.388 0.778 18179 11423 1 19 . 1 1 33 33 SER H H 68 8.047 8.047 7.607 0.440 18179 11424 1 19 . 1 1 34 34 ASN N N 69 110.215 110.215 119.763 -9.548 18179 11425 1 19 . 1 1 34 34 ASN HA H 69 4.181 4.181 4.313 -0.132 18179 11426 1 19 . 1 1 34 34 ASN C C 69 173.253 173.253 173.971 -0.718 18179 11427 1 19 . 1 1 34 34 ASN CA C 69 54.302 54.302 54.697 -0.395 18179 11428 1 19 . 1 1 34 34 ASN CB C 69 38.506 38.506 36.840 1.666 18179 11429 1 19 . 1 1 34 34 ASN H H 69 8.061 8.061 7.723 0.338 18179 11430 1 19 . 1 1 35 35 LYS N N 70 117.312 117.312 118.113 -0.801 18179 11431 1 19 . 1 1 35 35 LYS HA H 70 4.676 4.676 4.714 -0.038 18179 11432 1 19 . 1 1 35 35 LYS CA C 70 53.385 53.385 53.297 0.088 18179 11433 1 19 . 1 1 35 35 LYS CB C 70 34.049 34.049 33.105 0.944 18179 11434 1 19 . 1 1 35 35 LYS H H 70 7.589 7.589 7.520 0.069 18179 11435 1 19 . 1 1 36 36 PRO HA H 71 4.371 4.371 4.525 -0.154 18179 11436 1 19 . 1 1 36 36 PRO C C 71 172.189 172.189 175.391 -3.202 18179 11437 1 19 . 1 1 36 36 PRO CA C 71 62.356 62.356 62.853 -0.497 18179 11438 1 19 . 1 1 36 36 PRO CB C 71 31.785 31.785 32.511 -0.726 18179 11439 1 19 . 1 1 37 37 LEU N N 72 122.894 122.894 121.554 1.340 18179 11440 1 19 . 1 1 37 37 LEU HA H 72 5.392 5.392 4.972 0.420 18179 11441 1 19 . 1 1 37 37 LEU C C 72 174.422 174.422 176.244 -1.822 18179 11442 1 19 . 1 1 37 37 LEU CA C 72 52.656 52.656 54.039 -1.383 18179 11443 1 19 . 1 1 37 37 LEU CB C 72 45.220 45.220 44.602 0.618 18179 11444 1 19 . 1 1 37 37 LEU H H 72 8.936 8.936 8.021 0.915 18179 11445 1 19 . 1 1 38 38 MET N N 73 128.922 128.922 121.611 7.311 18179 11446 1 19 . 1 1 38 38 MET C C 73 172.488 172.488 175.476 -2.988 18179 11447 1 19 . 1 1 38 38 MET CA C 73 54.806 54.806 54.733 0.073 18179 11448 1 19 . 1 1 38 38 MET CB C 73 35.127 35.127 32.542 2.585 18179 11449 1 19 . 1 1 38 38 MET H H 73 8.965 8.965 8.182 0.783 18179 11450 1 19 . 1 1 39 39 ILE N N 74 124.016 124.016 126.294 -2.278 18179 11451 1 19 . 1 1 39 39 ILE HA H 74 4.819 4.819 4.128 0.691 18179 11452 1 19 . 1 1 39 39 ILE C C 74 175.018 175.018 174.326 0.692 18179 11453 1 19 . 1 1 39 39 ILE CA C 74 59.688 59.688 61.038 -1.350 18179 11454 1 19 . 1 1 39 39 ILE CB C 74 40.407 40.407 37.742 2.665 18179 11455 1 19 . 1 1 39 39 ILE H H 74 8.727 8.727 8.855 -0.128 18179 11456 1 19 . 1 1 40 40 ILE N N 75 126.837 126.837 128.350 -1.513 18179 11457 1 19 . 1 1 40 40 ILE HA H 75 4.038 4.038 4.482 -0.444 18179 11458 1 19 . 1 1 40 40 ILE C C 75 175.282 175.282 174.860 0.422 18179 11459 1 19 . 1 1 40 40 ILE CA C 75 60.408 60.408 59.888 0.520 18179 11460 1 19 . 1 1 40 40 ILE CB C 75 40.028 40.028 39.272 0.756 18179 11461 1 19 . 1 1 40 40 ILE H H 75 8.587 8.587 7.977 0.610 18179 11462 1 19 . 1 1 41 41 HIS N N 76 128.633 128.633 124.925 3.708 18179 11463 1 19 . 1 1 41 41 HIS CA C 76 56.453 56.453 53.829 2.624 18179 11464 1 19 . 1 1 41 41 HIS CB C 76 29.368 29.368 33.965 -4.597 18179 11465 1 19 . 1 1 41 41 HIS H H 76 9.145 9.145 8.832 0.313 18179 11466 1 19 . 1 1 42 42 HIS HA H 77 4.822 4.822 4.998 -0.176 18179 11467 1 19 . 1 1 42 42 HIS C C 77 170.942 170.942 172.442 -1.500 18179 11468 1 19 . 1 1 42 42 HIS CA C 77 54.441 54.441 54.767 -0.326 18179 11469 1 19 . 1 1 42 42 HIS CB C 77 34.768 34.768 32.538 2.230 18179 11470 1 19 . 1 1 43 43 LEU N N 78 114.526 114.526 120.278 -5.752 18179 11471 1 19 . 1 1 43 43 LEU HA H 78 4.540 4.540 4.594 -0.054 18179 11472 1 19 . 1 1 43 43 LEU C C 78 177.855 177.855 177.095 0.760 18179 11473 1 19 . 1 1 43 43 LEU CA C 78 54.020 54.020 53.345 0.675 18179 11474 1 19 . 1 1 43 43 LEU CB C 78 46.643 46.643 44.739 1.904 18179 11475 1 19 . 1 1 43 43 LEU H H 78 7.077 7.077 8.545 -1.468 18179 11476 1 19 . 1 1 44 44 ASP N N 79 123.675 123.675 118.963 4.712 18179 11477 1 19 . 1 1 44 44 ASP HA H 79 4.452 4.452 4.613 -0.161 18179 11478 1 19 . 1 1 44 44 ASP C C 79 177.872 177.872 177.510 0.362 18179 11479 1 19 . 1 1 44 44 ASP CA C 79 57.458 57.458 55.838 1.620 18179 11480 1 19 . 1 1 44 44 ASP CB C 79 40.739 40.739 41.400 -0.661 18179 11481 1 19 . 1 1 44 44 ASP H H 79 8.783 8.783 8.722 0.061 18179 11482 1 19 . 1 1 45 45 GLU N N 80 115.578 115.578 118.802 -3.224 18179 11483 1 19 . 1 1 45 45 GLU HA H 80 4.156 4.156 4.193 -0.037 18179 11484 1 19 . 1 1 45 45 GLU C C 80 175.108 175.108 176.338 -1.230 18179 11485 1 19 . 1 1 45 45 GLU CA C 80 56.661 56.661 57.252 -0.591 18179 11486 1 19 . 1 1 45 45 GLU CB C 80 28.604 28.604 29.659 -1.055 18179 11487 1 19 . 1 1 45 45 GLU H H 80 9.146 9.146 8.300 0.846 18179 11488 1 19 . 1 1 46 46 CYS N N 81 125.642 125.642 119.503 6.139 18179 11489 1 19 . 1 1 46 46 CYS HA H 81 4.814 4.814 4.286 0.528 18179 11490 1 19 . 1 1 46 46 CYS C C 81 175.453 175.453 173.131 2.322 18179 11491 1 19 . 1 1 46 46 CYS CA C 81 56.298 56.298 56.565 -0.267 18179 11492 1 19 . 1 1 46 46 CYS CB C 81 30.378 30.378 26.384 3.994 18179 11493 1 19 . 1 1 46 46 CYS H H 81 7.146 7.146 7.903 -0.757 18179 11494 1 19 . 1 1 47 47 PRO HA H 82 4.311 4.311 3.998 0.313 18179 11495 1 19 . 1 1 47 47 PRO CA C 82 64.536 64.536 63.574 0.963 18179 11496 1 19 . 1 1 47 47 PRO CB C 82 32.069 32.069 31.594 0.475 18179 11497 1 19 . 1 1 48 48 HIS N N 83 124.416 124.416 123.583 0.833 18179 11498 1 19 . 1 1 48 48 HIS HA H 83 4.511 4.511 4.347 0.164 18179 11499 1 19 . 1 1 48 48 HIS C C 83 178.820 178.820 176.619 2.201 18179 11500 1 19 . 1 1 48 48 HIS CA C 83 59.042 59.042 56.636 2.406 18179 11501 1 19 . 1 1 48 48 HIS CB C 83 28.921 28.921 29.526 -0.605 18179 11502 1 19 . 1 1 48 48 HIS H H 83 8.936 8.936 8.138 0.798 18179 11503 1 19 . 1 1 49 49 SER N N 84 129.973 129.973 119.786 10.187 18179 11504 1 19 . 1 1 49 49 SER HA H 84 4.152 4.152 4.039 0.113 18179 11505 1 19 . 1 1 49 49 SER C C 84 175.397 175.397 175.828 -0.431 18179 11506 1 19 . 1 1 49 49 SER CA C 84 63.873 63.873 61.093 2.780 18179 11507 1 19 . 1 1 49 49 SER CB C 84 65.516 65.516 62.295 3.220 18179 11508 1 19 . 1 1 49 49 SER H H 84 11.408 11.408 8.723 2.685 18179 11509 1 19 . 1 1 50 50 GLN N N 85 118.214 118.214 120.293 -2.079 18179 11510 1 19 . 1 1 50 50 GLN HA H 85 3.701 3.701 4.059 -0.358 18179 11511 1 19 . 1 1 50 50 GLN C C 85 178.213 178.213 177.866 0.347 18179 11512 1 19 . 1 1 50 50 GLN CA C 85 58.201 58.201 58.504 -0.303 18179 11513 1 19 . 1 1 50 50 GLN CB C 85 27.294 27.294 27.810 -0.516 18179 11514 1 19 . 1 1 50 50 GLN H H 85 8.192 8.192 8.019 0.173 18179 11515 1 19 . 1 1 51 51 ALA N N 86 121.790 121.790 122.189 -0.399 18179 11516 1 19 . 1 1 51 51 ALA HA H 86 4.099 4.099 4.200 -0.101 18179 11517 1 19 . 1 1 51 51 ALA C C 86 180.512 180.512 179.439 1.073 18179 11518 1 19 . 1 1 51 51 ALA CA C 86 54.742 54.742 54.611 0.131 18179 11519 1 19 . 1 1 51 51 ALA CB C 86 18.559 18.559 18.451 0.108 18179 11520 1 19 . 1 1 51 51 ALA H H 86 7.748 7.748 8.345 -0.597 18179 11521 1 19 . 1 1 52 52 LEU N N 87 118.528 118.528 119.437 -0.909 18179 11522 1 19 . 1 1 52 52 LEU HA H 87 4.076 4.076 4.175 -0.099 18179 11523 1 19 . 1 1 52 52 LEU CA C 87 57.266 57.266 57.032 0.234 18179 11524 1 19 . 1 1 52 52 LEU CB C 87 41.947 41.947 41.865 0.082 18179 11525 1 19 . 1 1 52 52 LEU H H 87 7.918 7.918 7.664 0.254 18179 11526 1 19 . 1 1 53 53 LYS N N 88 120.398 120.398 119.894 0.504 18179 11527 1 19 . 1 1 53 53 LYS H H 88 7.932 7.932 8.214 -0.282 18179 11528 1 19 . 1 1 54 54 LYS N N 89 115.219 115.219 119.182 -3.963 18179 11529 1 19 . 1 1 54 54 LYS HA H 89 3.790 3.790 4.175 -0.385 18179 11530 1 19 . 1 1 54 54 LYS C C 89 178.614 178.614 178.760 -0.146 18179 11531 1 19 . 1 1 54 54 LYS CA C 89 59.308 59.308 58.831 0.477 18179 11532 1 19 . 1 1 54 54 LYS CB C 89 32.530 32.530 32.035 0.495 18179 11533 1 19 . 1 1 54 54 LYS H H 89 6.889 6.889 7.542 -0.653 18179 11534 1 19 . 1 1 55 55 VAL N N 90 110.991 110.991 119.443 -8.452 18179 11535 1 19 . 1 1 55 55 VAL HA H 90 4.049 4.049 3.747 0.302 18179 11536 1 19 . 1 1 55 55 VAL C C 90 178.054 178.054 178.478 -0.424 18179 11537 1 19 . 1 1 55 55 VAL CA C 90 64.467 64.467 66.200 -1.733 18179 11538 1 19 . 1 1 55 55 VAL CB C 90 31.625 31.625 31.020 0.605 18179 11539 1 19 . 1 1 55 55 VAL H H 90 6.748 6.748 7.499 -0.751 18179 11540 1 19 . 1 1 56 56 PHE N N 91 124.010 124.010 121.128 2.882 18179 11541 1 19 . 1 1 56 56 PHE HA H 91 3.829 3.829 4.106 -0.278 18179 11542 1 19 . 1 1 56 56 PHE C C 91 177.496 177.496 175.757 1.739 18179 11543 1 19 . 1 1 56 56 PHE CA C 91 61.854 61.854 61.045 0.809 18179 11544 1 19 . 1 1 56 56 PHE CB C 91 41.828 41.828 38.998 2.830 18179 11545 1 19 . 1 1 56 56 PHE H H 91 8.722 8.722 7.746 0.976 18179 11546 1 19 . 1 1 57 57 ALA N N 92 118.444 118.444 118.895 -0.451 18179 11547 1 19 . 1 1 57 57 ALA HA H 92 4.185 4.185 3.629 0.556 18179 11548 1 19 . 1 1 57 57 ALA C C 92 180.660 180.660 179.105 1.555 18179 11549 1 19 . 1 1 57 57 ALA CA C 92 54.288 54.288 53.637 0.651 18179 11550 1 19 . 1 1 57 57 ALA CB C 92 18.487 18.487 18.942 -0.455 18179 11551 1 19 . 1 1 57 57 ALA H H 92 8.695 8.695 7.511 1.184 18179 11552 1 19 . 1 1 58 58 GLU N N 93 112.263 112.263 116.050 -3.787 18179 11553 1 19 . 1 1 58 58 GLU HA H 93 4.156 4.156 4.173 -0.017 18179 11554 1 19 . 1 1 58 58 GLU C C 93 175.641 175.641 176.362 -0.721 18179 11555 1 19 . 1 1 58 58 GLU CA C 93 55.883 55.883 56.944 -1.060 18179 11556 1 19 . 1 1 58 58 GLU CB C 93 30.495 30.495 29.848 0.647 18179 11557 1 19 . 1 1 58 58 GLU H H 93 7.108 7.108 8.348 -1.240 18179 11558 1 19 . 1 1 59 59 ASN N N 94 120.422 120.422 118.964 1.458 18179 11559 1 19 . 1 1 59 59 ASN HA H 94 4.590 4.590 4.876 -0.286 18179 11560 1 19 . 1 1 59 59 ASN C C 94 174.151 174.151 174.756 -0.605 18179 11561 1 19 . 1 1 59 59 ASN CA C 94 54.056 54.056 52.373 1.683 18179 11562 1 19 . 1 1 59 59 ASN CB C 94 38.723 38.723 39.907 -1.184 18179 11563 1 19 . 1 1 59 59 ASN H H 94 7.269 7.269 7.522 -0.253 18179 11564 1 19 . 1 1 60 60 LYS N N 95 127.497 127.497 125.928 1.569 18179 11565 1 19 . 1 1 60 60 LYS HA H 95 3.770 3.770 3.851 -0.081 18179 11566 1 19 . 1 1 60 60 LYS C C 95 178.959 178.959 178.097 0.862 18179 11567 1 19 . 1 1 60 60 LYS CA C 95 59.337 59.337 59.242 0.095 18179 11568 1 19 . 1 1 60 60 LYS CB C 95 32.170 32.170 32.092 0.078 18179 11569 1 19 . 1 1 60 60 LYS H H 95 8.672 8.672 8.939 -0.267 18179 11570 1 19 . 1 1 61 61 GLU N N 96 119.409 119.409 117.793 1.616 18179 11571 1 19 . 1 1 61 61 GLU HA H 96 3.984 3.984 4.074 -0.090 18179 11572 1 19 . 1 1 61 61 GLU C C 96 179.574 179.574 179.066 0.508 18179 11573 1 19 . 1 1 61 61 GLU CA C 96 59.955 59.955 59.600 0.355 18179 11574 1 19 . 1 1 61 61 GLU CB C 96 29.246 29.246 29.144 0.102 18179 11575 1 19 . 1 1 61 61 GLU H H 96 7.988 7.988 8.531 -0.543 18179 11576 1 19 . 1 1 62 62 ILE N N 97 122.621 122.621 119.207 3.414 18179 11577 1 19 . 1 1 62 62 ILE HA H 97 3.224 3.224 3.868 -0.644 18179 11578 1 19 . 1 1 62 62 ILE C C 97 177.158 177.158 177.996 -0.838 18179 11579 1 19 . 1 1 62 62 ILE CA C 97 65.787 65.787 64.523 1.264 18179 11580 1 19 . 1 1 62 62 ILE CB C 97 37.710 37.710 37.705 0.005 18179 11581 1 19 . 1 1 62 62 ILE H H 97 8.484 8.484 7.870 0.614 18179 11582 1 19 . 1 1 63 63 GLN N N 98 115.619 115.619 120.598 -4.979 18179 11583 1 19 . 1 1 63 63 GLN HA H 98 3.481 3.481 3.685 -0.204 18179 11584 1 19 . 1 1 63 63 GLN C C 98 178.097 178.097 178.314 -0.217 18179 11585 1 19 . 1 1 63 63 GLN CA C 98 58.601 58.601 59.673 -1.072 18179 11586 1 19 . 1 1 63 63 GLN CB C 98 28.834 28.834 28.246 0.588 18179 11587 1 19 . 1 1 63 63 GLN H H 98 8.046 8.046 8.552 -0.506 18179 11588 1 19 . 1 1 64 64 LYS N N 99 116.464 116.464 117.373 -0.909 18179 11589 1 19 . 1 1 64 64 LYS HA H 99 4.125 4.125 4.233 -0.108 18179 11590 1 19 . 1 1 64 64 LYS C C 99 179.740 179.740 178.397 1.343 18179 11591 1 19 . 1 1 64 64 LYS CA C 99 57.955 57.955 58.696 -0.741 18179 11592 1 19 . 1 1 64 64 LYS CB C 99 32.054 32.054 32.324 -0.270 18179 11593 1 19 . 1 1 64 64 LYS H H 99 7.578 7.578 7.731 -0.153 18179 11594 1 19 . 1 1 65 65 LEU N N 100 122.576 122.576 119.529 3.047 18179 11595 1 19 . 1 1 65 65 LEU HA H 100 4.128 4.128 4.150 -0.022 18179 11596 1 19 . 1 1 65 65 LEU C C 100 178.481 178.481 178.058 0.423 18179 11597 1 19 . 1 1 65 65 LEU CA C 100 57.044 57.044 57.080 -0.036 18179 11598 1 19 . 1 1 65 65 LEU CB C 100 41.883 41.883 42.004 -0.121 18179 11599 1 19 . 1 1 65 65 LEU H H 100 7.916 7.916 7.494 0.422 18179 11600 1 19 . 1 1 66 66 ALA N N 101 119.534 119.534 120.593 -1.059 18179 11601 1 19 . 1 1 66 66 ALA HA H 101 3.810 3.810 2.746 1.064 18179 11602 1 19 . 1 1 66 66 ALA C C 101 177.520 177.520 179.393 -1.873 18179 11603 1 19 . 1 1 66 66 ALA CA C 101 54.772 54.772 54.233 0.539 18179 11604 1 19 . 1 1 66 66 ALA CB C 101 17.737 17.737 18.303 -0.566 18179 11605 1 19 . 1 1 66 66 ALA H H 101 8.511 8.511 8.341 0.170 18179 11606 1 19 . 1 1 67 67 GLU N N 102 113.081 113.081 114.818 -1.737 18179 11607 1 19 . 1 1 67 67 GLU HA H 102 4.113 4.113 4.096 0.017 18179 11608 1 19 . 1 1 67 67 GLU C C 102 178.295 178.295 176.375 1.920 18179 11609 1 19 . 1 1 67 67 GLU CA C 102 58.285 58.285 56.974 1.310 18179 11610 1 19 . 1 1 67 67 GLU CB C 102 29.952 29.952 29.507 0.445 18179 11611 1 19 . 1 1 67 67 GLU H H 102 7.039 7.039 7.580 -0.541 18179 11612 1 19 . 1 1 68 68 GLN N N 103 116.244 116.244 117.194 -0.950 18179 11613 1 19 . 1 1 68 68 GLN HA H 103 4.107 4.107 4.248 -0.141 18179 11614 1 19 . 1 1 68 68 GLN C C 103 173.173 173.173 175.295 -2.122 18179 11615 1 19 . 1 1 68 68 GLN CA C 103 56.094 56.094 57.051 -0.957 18179 11616 1 19 . 1 1 68 68 GLN CB C 103 28.703 28.703 30.084 -1.381 18179 11617 1 19 . 1 1 68 68 GLN H H 103 8.167 8.167 7.453 0.714 18179 11618 1 19 . 1 1 69 69 PHE N N 104 116.822 116.822 113.061 3.761 18179 11619 1 19 . 1 1 69 69 PHE HA H 104 4.645 4.645 5.317 -0.672 18179 11620 1 19 . 1 1 69 69 PHE C C 104 177.346 177.346 174.277 3.069 18179 11621 1 19 . 1 1 69 69 PHE CA C 104 57.254 57.254 54.743 2.511 18179 11622 1 19 . 1 1 69 69 PHE CB C 104 40.897 40.897 41.080 -0.183 18179 11623 1 19 . 1 1 69 69 PHE H H 104 7.633 7.633 6.830 0.803 18179 11624 1 19 . 1 1 70 70 VAL N N 105 120.799 120.799 119.931 0.868 18179 11625 1 19 . 1 1 70 70 VAL HA H 105 3.867 3.867 4.459 -0.592 18179 11626 1 19 . 1 1 70 70 VAL C C 105 174.191 174.191 175.359 -1.168 18179 11627 1 19 . 1 1 70 70 VAL CA C 105 63.450 63.450 61.277 2.173 18179 11628 1 19 . 1 1 70 70 VAL CB C 105 31.566 31.566 33.471 -1.905 18179 11629 1 19 . 1 1 70 70 VAL H H 105 8.943 8.943 8.691 0.252 18179 11630 1 19 . 1 1 71 71 LEU N N 106 129.105 129.105 122.251 6.854 18179 11631 1 19 . 1 1 71 71 LEU HA H 106 4.850 4.850 5.174 -0.324 18179 11632 1 19 . 1 1 71 71 LEU CA C 106 53.854 53.854 52.772 1.082 18179 11633 1 19 . 1 1 71 71 LEU CB C 106 44.478 44.478 44.240 0.238 18179 11634 1 19 . 1 1 71 71 LEU H H 106 8.432 8.432 8.343 0.089 18179 11635 1 19 . 1 1 72 72 LEU N N 107 123.682 123.682 118.734 4.948 18179 11636 1 19 . 1 1 72 72 LEU H H 107 8.298 8.298 8.025 0.273 18179 11637 1 19 . 1 1 73 73 ASN N N 108 125.520 125.520 115.882 9.638 18179 11638 1 19 . 1 1 73 73 ASN CA C 108 51.631 51.631 52.715 -1.084 18179 11639 1 19 . 1 1 73 73 ASN CB C 108 41.484 41.484 41.757 -0.273 18179 11640 1 19 . 1 1 73 73 ASN H H 108 9.761 9.761 8.346 1.415 18179 11641 1 19 . 1 1 74 74 LEU N N 109 122.070 122.070 121.239 0.831 18179 11642 1 19 . 1 1 74 74 LEU H H 109 8.563 8.563 8.193 0.370 18179 11643 1 19 . 1 1 75 75 VAL HA H 110 5.100 5.100 3.910 1.190 18179 11644 1 19 . 1 1 75 75 VAL CA C 110 59.157 59.157 63.382 -4.225 18179 11645 1 19 . 1 1 76 76 TYR N N 111 120.641 120.641 123.568 -2.927 18179 11646 1 19 . 1 1 76 76 TYR HA H 111 4.569 4.569 4.113 0.456 18179 11647 1 19 . 1 1 76 76 TYR C C 111 175.393 175.393 173.794 1.599 18179 11648 1 19 . 1 1 76 76 TYR CA C 111 57.736 57.736 59.014 -1.278 18179 11649 1 19 . 1 1 76 76 TYR CB C 111 39.426 39.426 38.163 1.263 18179 11650 1 19 . 1 1 76 76 TYR H H 111 8.255 8.255 8.697 -0.442 18179 11651 1 19 . 1 1 79 79 THR HA H 114 4.180 4.180 4.477 -0.297 18179 11652 1 19 . 1 1 79 79 THR CA C 114 61.295 61.295 62.144 -0.849 18179 11653 1 19 . 1 1 79 79 THR CB C 114 68.683 68.683 69.854 -1.171 18179 11654 1 19 . 1 1 80 80 ASP N N 115 121.026 121.026 125.978 -4.952 18179 11655 1 19 . 1 1 80 80 ASP C C 115 177.959 177.959 176.703 1.256 18179 11656 1 19 . 1 1 80 80 ASP CA C 115 53.276 53.276 53.328 -0.052 18179 11657 1 19 . 1 1 80 80 ASP H H 115 7.746 7.746 8.633 -0.887 18179 11658 1 19 . 1 1 81 81 LYS N N 116 129.056 129.056 125.272 3.784 18179 11659 1 19 . 1 1 81 81 LYS HA H 116 3.828 3.828 4.184 -0.356 18179 11660 1 19 . 1 1 81 81 LYS C C 116 179.118 179.118 175.891 3.227 18179 11661 1 19 . 1 1 81 81 LYS CA C 116 57.957 57.957 56.938 1.019 18179 11662 1 19 . 1 1 81 81 LYS CB C 116 31.273 31.273 32.249 -0.976 18179 11663 1 19 . 1 1 81 81 LYS H H 116 8.873 8.873 8.551 0.322 18179 11664 1 19 . 1 1 82 82 HIS N N 117 116.887 116.887 114.490 2.397 18179 11665 1 19 . 1 1 82 82 HIS HA H 117 4.290 4.290 4.513 -0.223 18179 11666 1 19 . 1 1 82 82 HIS C C 117 175.622 175.622 176.372 -0.750 18179 11667 1 19 . 1 1 82 82 HIS CA C 117 57.865 57.865 57.701 0.164 18179 11668 1 19 . 1 1 82 82 HIS CB C 117 27.704 27.704 30.007 -2.303 18179 11669 1 19 . 1 1 82 82 HIS H H 117 8.707 8.707 8.125 0.582 18179 11670 1 19 . 1 1 83 83 LEU N N 118 113.733 113.733 118.717 -4.984 18179 11671 1 19 . 1 1 83 83 LEU HA H 118 4.290 4.290 4.268 0.022 18179 11672 1 19 . 1 1 83 83 LEU C C 118 175.949 175.949 176.618 -0.669 18179 11673 1 19 . 1 1 83 83 LEU CA C 118 53.982 53.982 56.026 -2.044 18179 11674 1 19 . 1 1 83 83 LEU CB C 118 41.734 41.734 43.413 -1.679 18179 11675 1 19 . 1 1 83 83 LEU H H 118 7.332 7.332 7.810 -0.478 18179 11676 1 19 . 1 1 84 84 SER N N 119 111.979 111.979 114.532 -2.553 18179 11677 1 19 . 1 1 84 84 SER HA H 119 4.632 4.632 4.562 0.070 18179 11678 1 19 . 1 1 84 84 SER C C 119 173.830 173.830 173.356 0.474 18179 11679 1 19 . 1 1 84 84 SER CA C 119 55.581 55.581 56.553 -0.972 18179 11680 1 19 . 1 1 84 84 SER CB C 119 62.367 62.367 63.658 -1.291 18179 11681 1 19 . 1 1 84 84 SER H H 119 7.268 7.268 7.611 -0.343 18179 11682 1 19 . 1 1 85 85 PRO HA H 120 4.384 4.384 4.372 0.012 18179 11683 1 19 . 1 1 85 85 PRO C C 120 177.881 177.881 177.023 0.858 18179 11684 1 19 . 1 1 85 85 PRO CA C 120 65.292 65.292 64.807 0.485 18179 11685 1 19 . 1 1 85 85 PRO CB C 120 31.942 31.942 31.950 -0.008 18179 11686 1 19 . 1 1 86 86 ASP N N 121 117.614 117.614 113.086 4.528 18179 11687 1 19 . 1 1 86 86 ASP HA H 121 4.960 4.960 4.574 0.386 18179 11688 1 19 . 1 1 86 86 ASP C C 121 174.734 174.734 176.281 -1.547 18179 11689 1 19 . 1 1 86 86 ASP CA C 121 51.999 51.999 54.023 -2.024 18179 11690 1 19 . 1 1 86 86 ASP CB C 121 40.327 40.327 41.394 -1.067 18179 11691 1 19 . 1 1 86 86 ASP H H 121 8.882 8.882 7.938 0.944 18179 11692 1 19 . 1 1 87 87 GLY N N 122 106.815 106.815 110.640 -3.825 18179 11693 1 19 . 1 1 87 87 GLY C C 122 173.401 173.401 174.993 -1.592 18179 11694 1 19 . 1 1 87 87 GLY CA C 122 43.814 43.814 45.861 -2.047 18179 11695 1 19 . 1 1 87 87 GLY H H 122 6.973 6.973 8.337 -1.364 18179 11696 1 19 . 1 1 88 88 GLN N N 123 118.319 118.319 119.571 -1.252 18179 11697 1 19 . 1 1 88 88 GLN HA H 123 3.984 3.984 3.925 0.059 18179 11698 1 19 . 1 1 88 88 GLN C C 123 174.141 174.141 175.357 -1.216 18179 11699 1 19 . 1 1 88 88 GLN CA C 123 54.717 54.717 58.114 -3.397 18179 11700 1 19 . 1 1 88 88 GLN CB C 123 27.267 27.267 29.139 -1.871 18179 11701 1 19 . 1 1 88 88 GLN H H 123 8.224 8.224 7.995 0.229 18179 11702 1 19 . 1 1 89 89 TYR N N 124 117.220 117.220 115.412 1.808 18179 11703 1 19 . 1 1 89 89 TYR HA H 124 4.596 4.596 4.573 0.023 18179 11704 1 19 . 1 1 89 89 TYR C C 124 173.402 173.402 173.949 -0.547 18179 11705 1 19 . 1 1 89 89 TYR CA C 124 54.672 54.672 57.922 -3.250 18179 11706 1 19 . 1 1 89 89 TYR CB C 124 38.970 38.970 39.745 -0.775 18179 11707 1 19 . 1 1 89 89 TYR H H 124 5.954 5.954 7.990 -2.036 18179 11708 1 19 . 1 1 90 90 VAL N N 125 109.249 109.249 126.632 -17.383 18179 11709 1 19 . 1 1 90 90 VAL HA H 125 4.572 4.572 4.318 0.254 18179 11710 1 19 . 1 1 90 90 VAL C C 125 173.254 173.254 173.555 -0.301 18179 11711 1 19 . 1 1 90 90 VAL CA C 125 57.982 57.982 60.806 -2.824 18179 11712 1 19 . 1 1 90 90 VAL CB C 125 35.376 35.376 33.682 1.694 18179 11713 1 19 . 1 1 90 90 VAL H H 125 8.303 8.303 7.885 0.418 18179 11714 1 19 . 1 1 92 92 ARG HA H 127 5.178 5.178 4.644 0.534 18179 11715 1 19 . 1 1 92 92 ARG CA C 127 55.689 55.689 54.610 1.079 18179 11716 1 19 . 1 1 93 93 ILE N N 128 127.696 127.696 122.306 5.390 18179 11717 1 19 . 1 1 93 93 ILE HA H 128 5.088 5.088 4.346 0.742 18179 11718 1 19 . 1 1 93 93 ILE CA C 128 61.063 61.063 61.245 -0.182 18179 11719 1 19 . 1 1 93 93 ILE CB C 128 39.101 39.101 38.596 0.505 18179 11720 1 19 . 1 1 93 93 ILE H H 128 9.099 9.099 8.752 0.347 18179 11721 1 19 . 1 1 94 94 MET N N 129 122.683 122.683 116.294 6.389 18179 11722 1 19 . 1 1 94 94 MET C C 129 174.006 174.006 174.048 -0.042 18179 11723 1 19 . 1 1 94 94 MET CA C 129 51.503 51.503 53.824 -2.321 18179 11724 1 19 . 1 1 94 94 MET CB C 129 34.764 34.764 35.515 -0.751 18179 11725 1 19 . 1 1 94 94 MET H H 129 8.496 8.496 7.243 1.253 18179 11726 1 19 . 1 1 95 95 PHE N N 130 118.014 118.014 119.190 -1.176 18179 11727 1 19 . 1 1 95 95 PHE HA H 130 5.589 5.589 5.725 -0.136 18179 11728 1 19 . 1 1 95 95 PHE C C 130 174.811 174.811 173.427 1.384 18179 11729 1 19 . 1 1 95 95 PHE CA C 130 56.432 56.432 55.995 0.437 18179 11730 1 19 . 1 1 95 95 PHE CB C 130 41.941 41.941 41.254 0.687 18179 11731 1 19 . 1 1 95 95 PHE H H 130 8.573 8.573 8.178 0.395 18179 11732 1 19 . 1 1 96 96 VAL N N 131 122.847 122.847 119.661 3.186 18179 11733 1 19 . 1 1 96 96 VAL HA H 131 4.337 4.337 4.008 0.329 18179 11734 1 19 . 1 1 96 96 VAL C C 131 174.303 174.303 173.478 0.825 18179 11735 1 19 . 1 1 96 96 VAL CA C 131 61.405 61.405 60.709 0.696 18179 11736 1 19 . 1 1 96 96 VAL CB C 131 34.679 34.679 36.083 -1.403 18179 11737 1 19 . 1 1 96 96 VAL H H 131 9.855 9.855 8.568 1.287 18179 11738 1 19 . 1 1 97 97 ASP N N 132 128.042 128.042 123.106 4.936 18179 11739 1 19 . 1 1 97 97 ASP HA H 132 4.883 4.883 5.041 -0.158 18179 11740 1 19 . 1 1 97 97 ASP C C 132 174.958 174.958 174.442 0.516 18179 11741 1 19 . 1 1 97 97 ASP CA C 132 53.082 53.082 51.945 1.137 18179 11742 1 19 . 1 1 97 97 ASP CB C 132 45.484 45.484 43.626 1.858 18179 11743 1 19 . 1 1 97 97 ASP H H 132 8.399 8.399 8.262 0.137 18179 11744 1 19 . 1 1 98 98 PRO HA H 133 4.566 4.566 4.329 0.237 18179 11745 1 19 . 1 1 98 98 PRO C C 133 175.650 175.650 176.960 -1.310 18179 11746 1 19 . 1 1 98 98 PRO CA C 133 65.207 65.207 65.584 -0.377 18179 11747 1 19 . 1 1 98 98 PRO CB C 133 31.858 31.858 32.160 -0.302 18179 11748 1 19 . 1 1 99 99 SER N N 134 111.171 111.171 111.812 -0.641 18179 11749 1 19 . 1 1 99 99 SER HA H 134 4.122 4.122 4.397 -0.275 18179 11750 1 19 . 1 1 99 99 SER C C 134 175.303 175.303 176.169 -0.866 18179 11751 1 19 . 1 1 99 99 SER CA C 134 60.237 60.237 60.712 -0.475 18179 11752 1 19 . 1 1 99 99 SER CB C 134 64.471 64.471 63.894 0.577 18179 11753 1 19 . 1 1 99 99 SER H H 134 8.154 8.154 8.215 -0.061 18179 11754 1 19 . 1 1 100 100 LEU N N 135 118.112 118.112 119.989 -1.877 18179 11755 1 19 . 1 1 100 100 LEU HA H 135 3.683 3.683 4.240 -0.557 18179 11756 1 19 . 1 1 100 100 LEU C C 135 175.886 175.886 177.233 -1.347 18179 11757 1 19 . 1 1 100 100 LEU CA C 135 56.548 56.548 56.393 0.155 18179 11758 1 19 . 1 1 100 100 LEU CB C 135 36.922 36.922 42.594 -5.672 18179 11759 1 19 . 1 1 100 100 LEU H H 135 9.194 9.194 8.809 0.385 18179 11760 1 19 . 1 1 101 101 THR N N 136 116.048 116.048 109.823 6.225 18179 11761 1 19 . 1 1 101 101 THR HA H 136 4.191 4.191 3.925 0.266 18179 11762 1 19 . 1 1 101 101 THR C C 136 173.771 173.771 173.434 0.337 18179 11763 1 19 . 1 1 101 101 THR CA C 136 62.123 62.123 63.166 -1.043 18179 11764 1 19 . 1 1 101 101 THR CB C 136 70.407 70.407 68.515 1.892 18179 11765 1 19 . 1 1 101 101 THR H H 136 7.022 7.022 8.010 -0.988 18179 11766 1 19 . 1 1 102 102 VAL N N 137 129.098 129.098 121.273 7.825 18179 11767 1 19 . 1 1 102 102 VAL HA H 137 3.874 3.874 3.674 0.200 18179 11768 1 19 . 1 1 102 102 VAL C C 137 177.079 177.079 174.942 2.137 18179 11769 1 19 . 1 1 102 102 VAL CA C 137 64.163 64.163 61.375 2.788 18179 11770 1 19 . 1 1 102 102 VAL CB C 137 31.858 31.858 32.288 -0.430 18179 11771 1 19 . 1 1 102 102 VAL H H 137 9.039 9.039 8.094 0.945 18179 11772 1 19 . 1 1 103 103 ARG N N 138 128.421 128.421 128.418 0.003 18179 11773 1 19 . 1 1 103 103 ARG HA H 138 4.724 4.724 4.525 0.199 18179 11774 1 19 . 1 1 103 103 ARG C C 138 177.315 177.315 175.423 1.892 18179 11775 1 19 . 1 1 103 103 ARG CA C 138 50.845 50.845 55.665 -4.820 18179 11776 1 19 . 1 1 103 103 ARG CB C 138 25.210 25.210 32.429 -7.219 18179 11777 1 19 . 1 1 103 103 ARG H H 138 9.355 9.355 8.689 0.666 18179 11778 1 19 . 1 1 104 104 ALA N N 139 130.638 130.638 129.266 1.372 18179 11779 1 19 . 1 1 104 104 ALA HA H 139 4.128 4.128 4.234 -0.106 18179 11780 1 19 . 1 1 104 104 ALA C C 139 170.819 170.819 178.095 -7.276 18179 11781 1 19 . 1 1 104 104 ALA CA C 139 53.517 53.517 52.401 1.116 18179 11782 1 19 . 1 1 104 104 ALA CB C 139 18.047 18.047 18.077 -0.030 18179 11783 1 19 . 1 1 104 104 ALA H H 139 8.340 8.340 9.051 -0.711 18179 11784 1 19 . 1 1 105 105 ASP N N 140 113.599 113.599 115.685 -2.086 18179 11785 1 19 . 1 1 105 105 ASP HA H 140 4.356 4.356 4.244 0.112 18179 11786 1 19 . 1 1 105 105 ASP C C 140 175.173 175.173 175.505 -0.332 18179 11787 1 19 . 1 1 105 105 ASP CA C 140 54.097 54.097 56.276 -2.179 18179 11788 1 19 . 1 1 105 105 ASP CB C 140 39.219 39.219 40.582 -1.363 18179 11789 1 19 . 1 1 105 105 ASP H H 140 9.653 9.653 8.661 0.992 18179 11790 1 19 . 1 1 106 106 ILE N N 141 122.867 122.867 119.196 3.671 18179 11791 1 19 . 1 1 106 106 ILE HA H 141 4.332 4.332 3.845 0.487 18179 11792 1 19 . 1 1 106 106 ILE C C 141 174.778 174.778 174.162 0.616 18179 11793 1 19 . 1 1 106 106 ILE CA C 141 62.464 62.464 62.010 0.454 18179 11794 1 19 . 1 1 106 106 ILE CB C 141 36.210 36.210 36.773 -0.563 18179 11795 1 19 . 1 1 106 106 ILE H H 141 7.541 7.541 8.295 -0.754 18179 11796 1 19 . 1 1 107 107 THR N N 142 117.525 117.525 119.242 -1.717 18179 11797 1 19 . 1 1 107 107 THR HA H 142 4.721 4.721 4.757 -0.036 18179 11798 1 19 . 1 1 107 107 THR C C 142 175.898 175.898 174.318 1.580 18179 11799 1 19 . 1 1 107 107 THR CA C 142 59.199 59.199 60.748 -1.548 18179 11800 1 19 . 1 1 107 107 THR CB C 142 71.817 71.817 71.339 0.478 18179 11801 1 19 . 1 1 107 107 THR H H 142 7.816 7.816 8.017 -0.201 18179 11802 1 19 . 1 1 108 108 GLY N N 143 109.853 109.853 110.262 -0.409 18179 11803 1 19 . 1 1 108 108 GLY C C 143 174.389 174.389 173.709 0.680 18179 11804 1 19 . 1 1 108 108 GLY CA C 143 44.291 44.291 44.387 -0.096 18179 11805 1 19 . 1 1 108 108 GLY H H 143 8.891 8.891 8.462 0.429 18179 11806 1 19 . 1 1 109 109 ARG N N 144 116.076 116.076 120.355 -4.279 18179 11807 1 19 . 1 1 109 109 ARG HA H 144 4.006 4.006 4.316 -0.310 18179 11808 1 19 . 1 1 109 109 ARG C C 144 176.521 176.521 175.683 0.838 18179 11809 1 19 . 1 1 109 109 ARG CA C 144 55.989 55.989 56.051 -0.062 18179 11810 1 19 . 1 1 109 109 ARG CB C 144 30.851 30.851 30.991 -0.140 18179 11811 1 19 . 1 1 109 109 ARG H H 144 8.108 8.108 8.635 -0.527 18179 11812 1 19 . 1 1 110 110 TYR N N 145 123.010 123.010 119.361 3.649 18179 11813 1 19 . 1 1 110 110 TYR HA H 145 4.506 4.506 4.631 -0.125 18179 11814 1 19 . 1 1 110 110 TYR C C 145 178.395 178.395 176.079 2.316 18179 11815 1 19 . 1 1 110 110 TYR CA C 145 57.217 57.217 57.497 -0.280 18179 11816 1 19 . 1 1 110 110 TYR CB C 145 37.232 37.232 39.196 -1.964 18179 11817 1 19 . 1 1 110 110 TYR H H 145 8.825 8.825 8.023 0.802 18179 11818 1 19 . 1 1 111 111 SER N N 146 120.152 120.152 116.894 3.258 18179 11819 1 19 . 1 1 111 111 SER HA H 146 3.948 3.948 4.503 -0.555 18179 11820 1 19 . 1 1 111 111 SER C C 146 174.939 174.939 174.710 0.229 18179 11821 1 19 . 1 1 111 111 SER CA C 146 60.850 60.850 58.768 2.082 18179 11822 1 19 . 1 1 111 111 SER CB C 146 62.776 62.776 63.488 -0.712 18179 11823 1 19 . 1 1 111 111 SER H H 146 8.616 8.616 8.718 -0.102 18179 11824 1 19 . 1 1 112 112 ASN N N 147 116.146 116.146 120.477 -4.331 18179 11825 1 19 . 1 1 112 112 ASN HA H 147 4.558 4.558 4.571 -0.013 18179 11826 1 19 . 1 1 112 112 ASN C C 147 173.693 173.693 175.606 -1.913 18179 11827 1 19 . 1 1 112 112 ASN CA C 147 53.209 53.209 54.642 -1.433 18179 11828 1 19 . 1 1 112 112 ASN CB C 147 37.534 37.534 39.163 -1.629 18179 11829 1 19 . 1 1 112 112 ASN H H 147 8.374 8.374 8.038 0.336 18179 11830 1 19 . 1 1 113 113 ARG N N 148 121.673 121.673 120.450 1.223 18179 11831 1 19 . 1 1 113 113 ARG HA H 148 4.226 4.226 4.251 -0.025 18179 11832 1 19 . 1 1 113 113 ARG C C 148 176.358 176.358 175.051 1.307 18179 11833 1 19 . 1 1 113 113 ARG CA C 148 55.251 55.251 55.349 -0.098 18179 11834 1 19 . 1 1 113 113 ARG CB C 148 30.973 30.973 30.901 0.072 18179 11835 1 19 . 1 1 113 113 ARG H H 148 6.782 6.782 8.216 -1.434 18179 11836 1 19 . 1 1 114 114 LEU N N 149 125.966 125.966 123.739 2.227 18179 11837 1 19 . 1 1 114 114 LEU HA H 149 3.776 3.776 4.212 -0.436 18179 11838 1 19 . 1 1 114 114 LEU C C 149 175.787 175.787 177.398 -1.611 18179 11839 1 19 . 1 1 114 114 LEU CA C 149 57.640 57.640 56.025 1.615 18179 11840 1 19 . 1 1 114 114 LEU CB C 149 43.153 43.153 41.703 1.450 18179 11841 1 19 . 1 1 114 114 LEU H H 149 9.976 9.976 8.383 1.593 18179 11842 1 19 . 1 1 115 115 TYR N N 150 115.137 115.137 116.589 -1.452 18179 11843 1 19 . 1 1 115 115 TYR HA H 150 4.947 4.947 4.306 0.641 18179 11844 1 19 . 1 1 115 115 TYR C C 150 174.449 174.449 173.928 0.521 18179 11845 1 19 . 1 1 115 115 TYR CA C 150 55.986 55.986 56.418 -0.432 18179 11846 1 19 . 1 1 115 115 TYR CB C 150 38.660 38.660 36.085 2.575 18179 11847 1 19 . 1 1 115 115 TYR H H 150 8.272 8.272 8.044 0.228 18179 11848 1 19 . 1 1 116 116 ALA N N 151 121.349 121.349 128.896 -7.547 18179 11849 1 19 . 1 1 116 116 ALA HA H 151 5.086 5.086 3.915 1.171 18179 11850 1 19 . 1 1 116 116 ALA C C 151 177.541 177.541 175.276 2.265 18179 11851 1 19 . 1 1 116 116 ALA CA C 151 51.614 51.614 50.749 0.865 18179 11852 1 19 . 1 1 116 116 ALA CB C 151 21.262 21.262 21.558 -0.296 18179 11853 1 19 . 1 1 116 116 ALA H H 151 7.515 7.515 7.693 -0.178 18179 11854 1 19 . 1 1 117 117 TYR N N 152 115.287 115.287 112.798 2.489 18179 11855 1 19 . 1 1 117 117 TYR HA H 152 4.693 4.693 4.718 -0.025 18179 11856 1 19 . 1 1 117 117 TYR C C 152 173.749 173.749 175.124 -1.375 18179 11857 1 19 . 1 1 117 117 TYR CA C 152 58.142 58.142 57.567 0.575 18179 11858 1 19 . 1 1 117 117 TYR CB C 152 42.827 42.827 38.946 3.881 18179 11859 1 19 . 1 1 117 117 TYR H H 152 6.916 6.916 8.040 -1.124 18179 11860 1 19 . 1 1 118 118 GLU N N 153 122.624 122.624 121.908 0.716 18179 11861 1 19 . 1 1 118 118 GLU HA H 153 4.951 4.951 4.843 0.108 18179 11862 1 19 . 1 1 118 118 GLU C C 153 175.895 175.895 176.211 -0.316 18179 11863 1 19 . 1 1 118 118 GLU CA C 153 54.029 54.029 52.891 1.139 18179 11864 1 19 . 1 1 118 118 GLU CB C 153 29.513 29.513 30.830 -1.317 18179 11865 1 19 . 1 1 118 118 GLU H H 153 9.508 9.508 7.597 1.911 18179 11866 1 19 . 1 1 119 119 PRO HA H 154 4.119 4.119 4.325 -0.206 18179 11867 1 19 . 1 1 119 119 PRO C C 154 176.457 176.457 176.832 -0.375 18179 11868 1 19 . 1 1 119 119 PRO CA C 154 66.240 66.240 65.270 0.970 18179 11869 1 19 . 1 1 119 119 PRO CB C 154 31.682 31.682 31.904 -0.223 18179 11870 1 19 . 1 1 120 120 ALA N N 155 114.721 114.721 117.799 -3.078 18179 11871 1 19 . 1 1 120 120 ALA HA H 155 4.372 4.372 4.266 0.106 18179 11872 1 19 . 1 1 120 120 ALA C C 155 178.528 178.528 177.681 0.847 18179 11873 1 19 . 1 1 120 120 ALA CA C 155 53.148 53.148 53.189 -0.041 18179 11874 1 19 . 1 1 120 120 ALA CB C 155 18.782 18.782 18.792 -0.010 18179 11875 1 19 . 1 1 120 120 ALA H H 155 7.697 7.697 7.923 -0.226 18179 11876 1 19 . 1 1 121 121 ASP N N 156 117.502 117.502 118.511 -1.009 18179 11877 1 19 . 1 1 121 121 ASP HA H 156 5.154 5.154 4.902 0.252 18179 11878 1 19 . 1 1 121 121 ASP C C 156 176.756 176.756 176.780 -0.024 18179 11879 1 19 . 1 1 121 121 ASP CA C 156 54.742 54.742 53.506 1.236 18179 11880 1 19 . 1 1 121 121 ASP CB C 156 42.326 42.326 41.175 1.151 18179 11881 1 19 . 1 1 121 121 ASP H H 156 8.493 8.493 7.828 0.665 18179 11882 1 19 . 1 1 122 122 THR N N 157 111.372 111.372 115.221 -3.849 18179 11883 1 19 . 1 1 122 122 THR HA H 157 3.738 3.738 3.915 -0.177 18179 11884 1 19 . 1 1 122 122 THR C C 157 176.023 176.023 175.857 0.166 18179 11885 1 19 . 1 1 122 122 THR CA C 157 66.673 66.673 66.784 -0.112 18179 11886 1 19 . 1 1 122 122 THR CB C 157 67.967 67.967 68.459 -0.492 18179 11887 1 19 . 1 1 122 122 THR H H 157 7.428 7.428 7.582 -0.154 18179 11888 1 19 . 1 1 123 123 ALA N N 158 123.853 123.853 124.867 -1.014 18179 11889 1 19 . 1 1 123 123 ALA HA H 158 4.133 4.133 4.082 0.051 18179 11890 1 19 . 1 1 123 123 ALA C C 158 179.987 179.987 179.744 0.243 18179 11891 1 19 . 1 1 123 123 ALA CA C 158 55.545 55.545 55.043 0.502 18179 11892 1 19 . 1 1 123 123 ALA CB C 158 17.458 17.458 17.973 -0.515 18179 11893 1 19 . 1 1 123 123 ALA H H 158 8.663 8.663 8.363 0.300 18179 11894 1 19 . 1 1 124 124 LEU N N 159 121.199 121.199 119.716 1.483 18179 11895 1 19 . 1 1 124 124 LEU HA H 159 4.229 4.229 4.073 0.156 18179 11896 1 19 . 1 1 124 124 LEU C C 159 178.342 178.342 179.323 -0.981 18179 11897 1 19 . 1 1 124 124 LEU CA C 159 57.329 57.329 57.252 0.077 18179 11898 1 19 . 1 1 124 124 LEU CB C 159 41.956 41.956 40.550 1.407 18179 11899 1 19 . 1 1 124 124 LEU H H 159 7.444 7.444 7.440 0.004 18179 11900 1 19 . 1 1 125 125 LEU N N 160 119.836 119.836 121.069 -1.233 18179 11901 1 19 . 1 1 125 125 LEU HA H 160 3.963 3.963 4.023 -0.060 18179 11902 1 19 . 1 1 125 125 LEU C C 160 178.168 178.168 179.399 -1.231 18179 11903 1 19 . 1 1 125 125 LEU CA C 160 58.475 58.475 57.898 0.577 18179 11904 1 19 . 1 1 125 125 LEU CB C 160 40.915 40.915 41.008 -0.093 18179 11905 1 19 . 1 1 125 125 LEU H H 160 8.430 8.430 8.463 -0.033 18179 11906 1 19 . 1 1 126 126 LEU N N 161 120.046 120.046 120.266 -0.220 18179 11907 1 19 . 1 1 126 126 LEU HA H 161 4.000 4.000 4.055 -0.055 18179 11908 1 19 . 1 1 126 126 LEU C C 161 178.848 178.848 178.490 0.358 18179 11909 1 19 . 1 1 126 126 LEU CA C 161 58.524 58.524 58.174 0.350 18179 11910 1 19 . 1 1 126 126 LEU CB C 161 42.005 42.005 41.560 0.445 18179 11911 1 19 . 1 1 126 126 LEU H H 161 8.127 8.127 8.513 -0.386 18179 11912 1 19 . 1 1 127 127 ASP N N 162 119.057 119.057 117.817 1.240 18179 11913 1 19 . 1 1 127 127 ASP HA H 162 4.267 4.267 4.400 -0.133 18179 11914 1 19 . 1 1 127 127 ASP C C 162 179.299 179.299 178.459 0.840 18179 11915 1 19 . 1 1 127 127 ASP CA C 162 57.699 57.699 57.142 0.557 18179 11916 1 19 . 1 1 127 127 ASP CB C 162 40.564 40.564 41.019 -0.455 18179 11917 1 19 . 1 1 127 127 ASP H H 162 7.872 7.872 8.451 -0.579 18179 11918 1 19 . 1 1 128 128 ASN N N 163 122.268 122.268 119.226 3.042 18179 11919 1 19 . 1 1 128 128 ASN HA H 163 4.423 4.423 4.606 -0.183 18179 11920 1 19 . 1 1 128 128 ASN C C 163 177.256 177.256 177.461 -0.205 18179 11921 1 19 . 1 1 128 128 ASN CA C 163 54.502 54.502 55.683 -1.181 18179 11922 1 19 . 1 1 128 128 ASN CB C 163 36.821 36.821 38.488 -1.667 18179 11923 1 19 . 1 1 128 128 ASN H H 163 8.711 8.711 8.301 0.410 18179 11924 1 19 . 1 1 129 129 MET N N 164 122.448 122.448 118.985 3.463 18179 11925 1 19 . 1 1 129 129 MET HA H 164 3.583 3.583 4.118 -0.535 18179 11926 1 19 . 1 1 129 129 MET C C 164 178.272 178.272 178.439 -0.167 18179 11927 1 19 . 1 1 129 129 MET CA C 164 59.617 59.617 58.869 0.748 18179 11928 1 19 . 1 1 129 129 MET CB C 164 34.481 34.481 32.928 1.553 18179 11929 1 19 . 1 1 129 129 MET H H 164 8.704 8.704 8.213 0.491 18179 11930 1 19 . 1 1 130 130 LYS N N 165 117.243 117.243 119.921 -2.678 18179 11931 1 19 . 1 1 130 130 LYS HA H 165 3.869 3.869 4.036 -0.167 18179 11932 1 19 . 1 1 130 130 LYS C C 165 180.050 180.050 177.410 2.640 18179 11933 1 19 . 1 1 130 130 LYS CA C 165 60.517 60.517 59.144 1.373 18179 11934 1 19 . 1 1 130 130 LYS CB C 165 31.836 31.836 32.321 -0.485 18179 11935 1 19 . 1 1 130 130 LYS H H 165 7.767 7.767 7.737 0.030 18179 11936 1 19 . 1 1 131 131 LYS N N 166 120.486 120.486 116.427 4.059 18179 11937 1 19 . 1 1 131 131 LYS HA H 166 3.853 3.853 4.014 -0.161 18179 11938 1 19 . 1 1 131 131 LYS C C 166 179.232 179.232 177.733 1.499 18179 11939 1 19 . 1 1 131 131 LYS CA C 166 60.171 60.171 58.621 1.550 18179 11940 1 19 . 1 1 131 131 LYS CB C 166 32.783 32.783 32.346 0.437 18179 11941 1 19 . 1 1 131 131 LYS H H 166 7.914 7.914 7.360 0.554 18179 11942 1 19 . 1 1 132 132 ALA N N 167 122.426 122.426 119.545 2.881 18179 11943 1 19 . 1 1 132 132 ALA HA H 167 3.625 3.625 3.462 0.163 18179 11944 1 19 . 1 1 132 132 ALA C C 167 177.616 177.616 178.267 -0.651 18179 11945 1 19 . 1 1 132 132 ALA CA C 167 54.246 54.246 53.360 0.886 18179 11946 1 19 . 1 1 132 132 ALA CB C 167 18.261 18.261 18.695 -0.434 18179 11947 1 19 . 1 1 132 132 ALA H H 167 7.801 7.801 7.031 0.770 18179 11948 1 19 . 1 1 133 133 LEU N N 168 113.735 113.735 118.010 -4.275 18179 11949 1 19 . 1 1 133 133 LEU HA H 168 3.747 3.747 4.126 -0.379 18179 11950 1 19 . 1 1 133 133 LEU C C 168 177.322 177.322 177.522 -0.200 18179 11951 1 19 . 1 1 133 133 LEU CA C 168 55.892 55.892 55.589 0.303 18179 11952 1 19 . 1 1 133 133 LEU CB C 168 42.159 42.159 41.764 0.395 18179 11953 1 19 . 1 1 133 133 LEU H H 168 7.010 7.010 7.457 -0.447 18179 11954 1 19 . 1 1 134 134 LYS N N 169 123.034 123.034 118.800 4.234 18179 11955 1 19 . 1 1 134 134 LYS HA H 169 4.331 4.331 4.109 0.222 18179 11956 1 19 . 1 1 134 134 LYS C C 169 174.307 174.307 176.381 -2.074 18179 11957 1 19 . 1 1 134 134 LYS CA C 169 55.382 55.382 57.775 -2.393 18179 11958 1 19 . 1 1 134 134 LYS CB C 169 29.718 29.718 32.377 -2.659 18179 11959 1 19 . 1 1 134 134 LYS H H 169 7.202 7.202 7.639 -0.437 18179 11960 1 19 . 1 1 135 135 LEU N N 170 120.490 120.490 121.580 -1.090 18179 11961 1 19 . 1 1 135 135 LEU HA H 170 3.980 3.980 4.329 -0.349 18179 11962 1 19 . 1 1 135 135 LEU C C 170 178.427 178.427 175.331 3.096 18179 11963 1 19 . 1 1 135 135 LEU CA C 170 54.884 54.884 54.812 0.071 18179 11964 1 19 . 1 1 135 135 LEU CB C 170 40.903 40.903 41.020 -0.117 18179 11965 1 19 . 1 1 135 135 LEU H H 170 7.334 7.334 7.678 -0.344 18179 11966 1 19 . 1 1 136 136 LEU N N 171 120.084 120.084 127.254 -7.170 18179 11967 1 19 . 1 1 136 136 LEU HA H 171 4.040 4.040 4.649 -0.609 18179 11968 1 19 . 1 1 136 136 LEU C C 171 178.231 178.231 175.858 2.373 18179 11969 1 19 . 1 1 136 136 LEU CA C 171 55.750 55.750 53.071 2.679 18179 11970 1 19 . 1 1 136 136 LEU CB C 171 41.734 41.734 44.755 -3.021 18179 11971 1 19 . 1 1 136 136 LEU H H 171 8.614 8.614 7.859 0.755 18179 11972 1 19 . 1 1 137 137 LYS N N 172 121.059 121.059 123.735 -2.676 18179 11973 1 19 . 1 1 137 137 LYS HA H 172 4.333 4.333 4.516 -0.183 18179 11974 1 19 . 1 1 137 137 LYS C C 172 174.388 174.388 176.395 -2.007 18179 11975 1 19 . 1 1 137 137 LYS CA C 172 55.903 55.903 56.086 -0.183 18179 11976 1 19 . 1 1 137 137 LYS CB C 172 32.681 32.681 32.304 0.377 18179 11977 1 19 . 1 1 137 137 LYS H H 172 8.468 8.468 8.454 0.014 18179 11978 1 19 . 1 1 138 138 THR N N 173 116.267 116.267 115.922 0.345 18179 11979 1 19 . 1 1 138 138 THR HA H 173 4.261 4.261 4.499 -0.238 18179 11980 1 19 . 1 1 138 138 THR C C 173 174.267 174.267 174.757 -0.490 18179 11981 1 19 . 1 1 138 138 THR CA C 173 61.867 61.867 61.372 0.495 18179 11982 1 19 . 1 1 138 138 THR CB C 173 69.848 69.848 69.849 -0.001 18179 11983 1 19 . 1 1 138 138 THR H H 173 8.095 8.095 8.384 -0.289 18179 11984 1 19 . 1 1 139 139 GLU N N 174 123.648 123.648 125.544 -1.896 18179 11985 1 19 . 1 1 139 139 GLU HA H 174 4.288 4.288 4.297 -0.009 18179 11986 1 19 . 1 1 139 139 GLU C C 174 175.178 175.178 176.348 -1.170 18179 11987 1 19 . 1 1 139 139 GLU CA C 174 56.205 56.205 56.065 0.140 18179 11988 1 19 . 1 1 139 139 GLU CB C 174 30.353 30.353 30.140 0.213 18179 11989 1 19 . 1 1 139 139 GLU H H 174 8.293 8.293 8.553 -0.260 18179 11990 1 20 . 1 1 17 17 LEU N N 52 120.529 120.529 119.238 1.291 18179 11991 1 20 . 1 1 17 17 LEU HA H 52 4.317 4.317 4.048 0.269 18179 11992 1 20 . 1 1 17 17 LEU CA C 52 53.456 53.456 55.441 -1.985 18179 11993 1 20 . 1 1 17 17 LEU CB C 52 42.494 42.494 41.332 1.162 18179 11994 1 20 . 1 1 17 17 LEU H H 52 7.103 7.103 8.164 -1.061 18179 11995 1 20 . 1 1 18 18 ILE CB C 53 36.458 36.458 38.529 -2.071 18179 11996 1 20 . 1 1 23 23 TYR HA H 58 4.359 4.359 4.094 0.265 18179 11997 1 20 . 1 1 23 23 TYR C C 58 176.387 176.387 176.689 -0.302 18179 11998 1 20 . 1 1 23 23 TYR CA C 58 59.597 59.597 61.198 -1.601 18179 11999 1 20 . 1 1 23 23 TYR CB C 58 38.572 38.572 38.352 0.219 18179 12000 1 20 . 1 1 24 24 GLU N N 59 117.335 117.335 117.821 -0.486 18179 12001 1 20 . 1 1 24 24 GLU CA C 59 60.871 60.871 59.764 1.107 18179 12002 1 20 . 1 1 24 24 GLU CB C 59 28.494 28.494 28.622 -0.129 18179 12003 1 20 . 1 1 24 24 GLU H H 59 9.191 9.191 8.877 0.314 18179 12004 1 20 . 1 1 25 25 ALA N N 60 120.861 120.861 121.336 -0.475 18179 12005 1 20 . 1 1 25 25 ALA CA C 60 54.555 54.555 54.533 0.022 18179 12006 1 20 . 1 1 25 25 ALA CB C 60 18.528 18.528 18.235 0.292 18179 12007 1 20 . 1 1 25 25 ALA H H 60 7.688 7.688 7.623 0.065 18179 12008 1 20 . 1 1 26 26 ALA N N 61 123.402 123.402 122.477 0.925 18179 12009 1 20 . 1 1 26 26 ALA HA H 61 3.900 3.900 3.968 -0.068 18179 12010 1 20 . 1 1 26 26 ALA CA C 61 55.346 55.346 54.831 0.515 18179 12011 1 20 . 1 1 26 26 ALA CB C 61 19.104 19.104 18.206 0.898 18179 12012 1 20 . 1 1 26 26 ALA H H 61 8.225 8.225 7.492 0.733 18179 12013 1 20 . 1 1 27 27 LEU N N 62 118.742 118.742 119.352 -0.610 18179 12014 1 20 . 1 1 27 27 LEU HA H 62 3.700 3.700 3.766 -0.066 18179 12015 1 20 . 1 1 27 27 LEU C C 62 171.911 171.911 178.149 -6.238 18179 12016 1 20 . 1 1 27 27 LEU CA C 62 57.654 57.654 57.764 -0.110 18179 12017 1 20 . 1 1 27 27 LEU CB C 62 41.905 41.905 41.291 0.614 18179 12018 1 20 . 1 1 27 27 LEU H H 62 8.336 8.336 8.034 0.301 18179 12019 1 20 . 1 1 28 28 TYR N N 63 117.594 117.594 119.533 -1.939 18179 12020 1 20 . 1 1 28 28 TYR HA H 63 4.007 4.007 3.991 0.016 18179 12021 1 20 . 1 1 28 28 TYR C C 63 179.075 179.075 177.172 1.903 18179 12022 1 20 . 1 1 28 28 TYR CA C 63 61.769 61.769 61.443 0.326 18179 12023 1 20 . 1 1 28 28 TYR CB C 63 38.071 38.071 38.234 -0.163 18179 12024 1 20 . 1 1 28 28 TYR H H 63 7.279 7.279 7.499 -0.220 18179 12025 1 20 . 1 1 29 29 LYS N N 64 121.077 121.077 120.220 0.857 18179 12026 1 20 . 1 1 29 29 LYS HA H 64 3.663 3.663 3.845 -0.182 18179 12027 1 20 . 1 1 29 29 LYS C C 64 176.394 176.394 178.899 -2.505 18179 12028 1 20 . 1 1 29 29 LYS CA C 64 59.230 59.230 57.932 1.298 18179 12029 1 20 . 1 1 29 29 LYS CB C 64 32.573 32.573 31.582 0.991 18179 12030 1 20 . 1 1 29 29 LYS H H 64 8.472 8.472 7.956 0.516 18179 12031 1 20 . 1 1 30 30 SER N N 65 117.933 117.933 114.403 3.530 18179 12032 1 20 . 1 1 30 30 SER HA H 65 4.160 4.160 4.168 -0.008 18179 12033 1 20 . 1 1 30 30 SER C C 65 176.518 176.518 175.870 0.648 18179 12034 1 20 . 1 1 30 30 SER CA C 65 61.706 61.706 61.398 0.308 18179 12035 1 20 . 1 1 30 30 SER CB C 65 64.022 64.022 62.807 1.215 18179 12036 1 20 . 1 1 30 30 SER H H 65 8.500 8.500 7.937 0.563 18179 12037 1 20 . 1 1 31 31 LYS N N 66 117.248 117.248 120.506 -3.258 18179 12038 1 20 . 1 1 31 31 LYS HA H 66 4.301 4.301 4.043 0.258 18179 12039 1 20 . 1 1 31 31 LYS C C 66 179.721 179.721 177.990 1.731 18179 12040 1 20 . 1 1 31 31 LYS CA C 66 59.165 59.165 58.627 0.538 18179 12041 1 20 . 1 1 31 31 LYS CB C 66 32.372 32.372 32.312 0.060 18179 12042 1 20 . 1 1 31 31 LYS H H 66 8.020 8.020 7.731 0.289 18179 12043 1 20 . 1 1 32 32 THR N N 67 109.772 109.772 107.937 1.835 18179 12044 1 20 . 1 1 32 32 THR HA H 67 3.883 3.883 4.287 -0.404 18179 12045 1 20 . 1 1 32 32 THR C C 67 176.237 176.237 175.335 0.902 18179 12046 1 20 . 1 1 32 32 THR CA C 67 64.813 64.813 63.239 1.574 18179 12047 1 20 . 1 1 32 32 THR CB C 67 69.445 69.445 68.824 0.621 18179 12048 1 20 . 1 1 32 32 THR H H 67 7.844 7.844 7.414 0.430 18179 12049 1 20 . 1 1 33 33 SER N N 68 115.610 115.610 116.729 -1.119 18179 12050 1 20 . 1 1 33 33 SER HA H 68 4.369 4.369 4.456 -0.087 18179 12051 1 20 . 1 1 33 33 SER C C 68 174.628 174.628 174.037 0.591 18179 12052 1 20 . 1 1 33 33 SER CA C 68 59.242 59.242 58.559 0.683 18179 12053 1 20 . 1 1 33 33 SER CB C 68 65.166 65.166 64.356 0.811 18179 12054 1 20 . 1 1 33 33 SER H H 68 8.047 8.047 7.503 0.544 18179 12055 1 20 . 1 1 34 34 ASN N N 69 110.215 110.215 115.842 -5.627 18179 12056 1 20 . 1 1 34 34 ASN HA H 69 4.181 4.181 4.262 -0.081 18179 12057 1 20 . 1 1 34 34 ASN C C 69 173.253 173.253 173.847 -0.594 18179 12058 1 20 . 1 1 34 34 ASN CA C 69 54.302 54.302 54.616 -0.314 18179 12059 1 20 . 1 1 34 34 ASN CB C 69 38.506 38.506 37.432 1.073 18179 12060 1 20 . 1 1 34 34 ASN H H 69 8.061 8.061 8.239 -0.178 18179 12061 1 20 . 1 1 35 35 LYS N N 70 117.312 117.312 119.477 -2.165 18179 12062 1 20 . 1 1 35 35 LYS HA H 70 4.676 4.676 4.918 -0.242 18179 12063 1 20 . 1 1 35 35 LYS CA C 70 53.385 53.385 53.554 -0.169 18179 12064 1 20 . 1 1 35 35 LYS CB C 70 34.049 34.049 34.903 -0.854 18179 12065 1 20 . 1 1 35 35 LYS H H 70 7.589 7.589 7.571 0.018 18179 12066 1 20 . 1 1 36 36 PRO HA H 71 4.371 4.371 4.562 -0.191 18179 12067 1 20 . 1 1 36 36 PRO C C 71 172.189 172.189 176.279 -4.090 18179 12068 1 20 . 1 1 36 36 PRO CA C 71 62.356 62.356 63.204 -0.848 18179 12069 1 20 . 1 1 36 36 PRO CB C 71 31.785 31.785 32.410 -0.625 18179 12070 1 20 . 1 1 37 37 LEU N N 72 122.894 122.894 122.303 0.591 18179 12071 1 20 . 1 1 37 37 LEU HA H 72 5.392 5.392 4.996 0.396 18179 12072 1 20 . 1 1 37 37 LEU C C 72 174.422 174.422 175.994 -1.572 18179 12073 1 20 . 1 1 37 37 LEU CA C 72 52.656 52.656 54.151 -1.495 18179 12074 1 20 . 1 1 37 37 LEU CB C 72 45.220 45.220 44.011 1.209 18179 12075 1 20 . 1 1 37 37 LEU H H 72 8.936 8.936 8.175 0.761 18179 12076 1 20 . 1 1 38 38 MET N N 73 128.922 128.922 121.362 7.560 18179 12077 1 20 . 1 1 38 38 MET C C 73 172.488 172.488 175.476 -2.988 18179 12078 1 20 . 1 1 38 38 MET CA C 73 54.806 54.806 54.685 0.121 18179 12079 1 20 . 1 1 38 38 MET CB C 73 35.127 35.127 32.248 2.879 18179 12080 1 20 . 1 1 38 38 MET H H 73 8.965 8.965 8.605 0.360 18179 12081 1 20 . 1 1 39 39 ILE N N 74 124.016 124.016 118.746 5.270 18179 12082 1 20 . 1 1 39 39 ILE HA H 74 4.819 4.819 5.058 -0.239 18179 12083 1 20 . 1 1 39 39 ILE C C 74 175.018 175.018 175.049 -0.031 18179 12084 1 20 . 1 1 39 39 ILE CA C 74 59.688 59.688 59.380 0.308 18179 12085 1 20 . 1 1 39 39 ILE CB C 74 40.407 40.407 40.477 -0.070 18179 12086 1 20 . 1 1 39 39 ILE H H 74 8.727 8.727 8.091 0.636 18179 12087 1 20 . 1 1 40 40 ILE N N 75 126.837 126.837 123.693 3.144 18179 12088 1 20 . 1 1 40 40 ILE HA H 75 4.038 4.038 4.658 -0.620 18179 12089 1 20 . 1 1 40 40 ILE C C 75 175.282 175.282 174.688 0.594 18179 12090 1 20 . 1 1 40 40 ILE CA C 75 60.408 60.408 60.220 0.188 18179 12091 1 20 . 1 1 40 40 ILE CB C 75 40.028 40.028 38.504 1.524 18179 12092 1 20 . 1 1 40 40 ILE H H 75 8.587 8.587 8.695 -0.108 18179 12093 1 20 . 1 1 41 41 HIS N N 76 128.633 128.633 128.181 0.452 18179 12094 1 20 . 1 1 41 41 HIS CA C 76 56.453 56.453 53.849 2.603 18179 12095 1 20 . 1 1 41 41 HIS CB C 76 29.368 29.368 32.547 -3.179 18179 12096 1 20 . 1 1 41 41 HIS H H 76 9.145 9.145 8.210 0.935 18179 12097 1 20 . 1 1 42 42 HIS HA H 77 4.822 4.822 4.712 0.110 18179 12098 1 20 . 1 1 42 42 HIS C C 77 170.942 170.942 173.184 -2.242 18179 12099 1 20 . 1 1 42 42 HIS CA C 77 54.441 54.441 54.938 -0.497 18179 12100 1 20 . 1 1 42 42 HIS CB C 77 34.768 34.768 33.642 1.126 18179 12101 1 20 . 1 1 43 43 LEU N N 78 114.526 114.526 118.308 -3.782 18179 12102 1 20 . 1 1 43 43 LEU HA H 78 4.540 4.540 4.561 -0.021 18179 12103 1 20 . 1 1 43 43 LEU C C 78 177.855 177.855 176.769 1.086 18179 12104 1 20 . 1 1 43 43 LEU CA C 78 54.020 54.020 53.736 0.284 18179 12105 1 20 . 1 1 43 43 LEU CB C 78 46.643 46.643 46.056 0.587 18179 12106 1 20 . 1 1 43 43 LEU H H 78 7.077 7.077 8.494 -1.417 18179 12107 1 20 . 1 1 44 44 ASP N N 79 123.675 123.675 119.336 4.339 18179 12108 1 20 . 1 1 44 44 ASP HA H 79 4.452 4.452 4.633 -0.181 18179 12109 1 20 . 1 1 44 44 ASP C C 79 177.872 177.872 176.579 1.293 18179 12110 1 20 . 1 1 44 44 ASP CA C 79 57.458 57.458 55.937 1.521 18179 12111 1 20 . 1 1 44 44 ASP CB C 79 40.739 40.739 41.239 -0.500 18179 12112 1 20 . 1 1 44 44 ASP H H 79 8.783 8.783 8.581 0.202 18179 12113 1 20 . 1 1 45 45 GLU N N 80 115.578 115.578 118.501 -2.923 18179 12114 1 20 . 1 1 45 45 GLU HA H 80 4.156 4.156 4.360 -0.204 18179 12115 1 20 . 1 1 45 45 GLU C C 80 175.108 175.108 175.844 -0.736 18179 12116 1 20 . 1 1 45 45 GLU CA C 80 56.661 56.661 56.208 0.453 18179 12117 1 20 . 1 1 45 45 GLU CB C 80 28.604 28.604 29.251 -0.647 18179 12118 1 20 . 1 1 45 45 GLU H H 80 9.146 9.146 8.489 0.657 18179 12119 1 20 . 1 1 46 46 CYS N N 81 125.642 125.642 116.806 8.836 18179 12120 1 20 . 1 1 46 46 CYS HA H 81 4.814 4.814 4.833 -0.019 18179 12121 1 20 . 1 1 46 46 CYS C C 81 175.453 175.453 172.470 2.983 18179 12122 1 20 . 1 1 46 46 CYS CA C 81 56.298 56.298 55.841 0.457 18179 12123 1 20 . 1 1 46 46 CYS CB C 81 30.378 30.378 29.114 1.264 18179 12124 1 20 . 1 1 46 46 CYS H H 81 7.146 7.146 7.316 -0.170 18179 12125 1 20 . 1 1 47 47 PRO HA H 82 4.311 4.311 4.511 -0.200 18179 12126 1 20 . 1 1 47 47 PRO CA C 82 64.536 64.536 63.828 0.708 18179 12127 1 20 . 1 1 47 47 PRO CB C 82 32.069 32.069 32.254 -0.185 18179 12128 1 20 . 1 1 48 48 HIS N N 83 124.416 124.416 124.441 -0.025 18179 12129 1 20 . 1 1 48 48 HIS HA H 83 4.511 4.511 4.537 -0.026 18179 12130 1 20 . 1 1 48 48 HIS C C 83 178.820 178.820 177.387 1.433 18179 12131 1 20 . 1 1 48 48 HIS CA C 83 59.042 59.042 57.013 2.029 18179 12132 1 20 . 1 1 48 48 HIS CB C 83 28.921 28.921 30.711 -1.790 18179 12133 1 20 . 1 1 48 48 HIS H H 83 8.936 8.936 8.543 0.393 18179 12134 1 20 . 1 1 49 49 SER N N 84 129.973 129.973 120.825 9.148 18179 12135 1 20 . 1 1 49 49 SER HA H 84 4.152 4.152 3.493 0.659 18179 12136 1 20 . 1 1 49 49 SER C C 84 175.397 175.397 175.674 -0.277 18179 12137 1 20 . 1 1 49 49 SER CA C 84 63.873 63.873 61.317 2.556 18179 12138 1 20 . 1 1 49 49 SER CB C 84 65.516 65.516 62.853 2.663 18179 12139 1 20 . 1 1 49 49 SER H H 84 11.408 11.408 8.770 2.638 18179 12140 1 20 . 1 1 50 50 GLN N N 85 118.214 118.214 118.505 -0.291 18179 12141 1 20 . 1 1 50 50 GLN HA H 85 3.701 3.701 4.123 -0.422 18179 12142 1 20 . 1 1 50 50 GLN C C 85 178.213 178.213 177.253 0.960 18179 12143 1 20 . 1 1 50 50 GLN CA C 85 58.201 58.201 57.978 0.223 18179 12144 1 20 . 1 1 50 50 GLN CB C 85 27.294 27.294 28.131 -0.837 18179 12145 1 20 . 1 1 50 50 GLN H H 85 8.192 8.192 8.350 -0.158 18179 12146 1 20 . 1 1 51 51 ALA N N 86 121.790 121.790 123.093 -1.303 18179 12147 1 20 . 1 1 51 51 ALA HA H 86 4.099 4.099 3.950 0.149 18179 12148 1 20 . 1 1 51 51 ALA C C 86 180.512 180.512 179.049 1.463 18179 12149 1 20 . 1 1 51 51 ALA CA C 86 54.742 54.742 54.711 0.031 18179 12150 1 20 . 1 1 51 51 ALA CB C 86 18.559 18.559 18.284 0.275 18179 12151 1 20 . 1 1 51 51 ALA H H 86 7.748 7.748 8.443 -0.695 18179 12152 1 20 . 1 1 52 52 LEU N N 87 118.528 118.528 118.078 0.450 18179 12153 1 20 . 1 1 52 52 LEU HA H 87 4.076 4.076 4.274 -0.198 18179 12154 1 20 . 1 1 52 52 LEU CA C 87 57.266 57.266 55.798 1.468 18179 12155 1 20 . 1 1 52 52 LEU CB C 87 41.947 41.947 41.963 -0.016 18179 12156 1 20 . 1 1 52 52 LEU H H 87 7.918 7.918 7.455 0.463 18179 12157 1 20 . 1 1 53 53 LYS N N 88 120.398 120.398 120.440 -0.042 18179 12158 1 20 . 1 1 53 53 LYS H H 88 7.932 7.932 7.654 0.278 18179 12159 1 20 . 1 1 54 54 LYS N N 89 115.219 115.219 118.512 -3.293 18179 12160 1 20 . 1 1 54 54 LYS HA H 89 3.790 3.790 4.121 -0.331 18179 12161 1 20 . 1 1 54 54 LYS C C 89 178.614 178.614 179.081 -0.467 18179 12162 1 20 . 1 1 54 54 LYS CA C 89 59.308 59.308 59.157 0.151 18179 12163 1 20 . 1 1 54 54 LYS CB C 89 32.530 32.530 31.910 0.620 18179 12164 1 20 . 1 1 54 54 LYS H H 89 6.889 6.889 7.861 -0.972 18179 12165 1 20 . 1 1 55 55 VAL N N 90 110.991 110.991 119.780 -8.789 18179 12166 1 20 . 1 1 55 55 VAL HA H 90 4.049 4.049 3.809 0.240 18179 12167 1 20 . 1 1 55 55 VAL C C 90 178.054 178.054 177.759 0.295 18179 12168 1 20 . 1 1 55 55 VAL CA C 90 64.467 64.467 65.434 -0.967 18179 12169 1 20 . 1 1 55 55 VAL CB C 90 31.625 31.625 31.295 0.330 18179 12170 1 20 . 1 1 55 55 VAL H H 90 6.748 6.748 7.282 -0.534 18179 12171 1 20 . 1 1 56 56 PHE N N 91 124.010 124.010 121.957 2.053 18179 12172 1 20 . 1 1 56 56 PHE HA H 91 3.829 3.829 4.022 -0.193 18179 12173 1 20 . 1 1 56 56 PHE C C 91 177.496 177.496 176.462 1.034 18179 12174 1 20 . 1 1 56 56 PHE CA C 91 61.854 61.854 61.772 0.082 18179 12175 1 20 . 1 1 56 56 PHE CB C 91 41.828 41.828 38.991 2.837 18179 12176 1 20 . 1 1 56 56 PHE H H 91 8.722 8.722 8.350 0.372 18179 12177 1 20 . 1 1 57 57 ALA N N 92 118.444 118.444 116.783 1.661 18179 12178 1 20 . 1 1 57 57 ALA HA H 92 4.185 4.185 4.326 -0.141 18179 12179 1 20 . 1 1 57 57 ALA C C 92 180.660 180.660 178.277 2.383 18179 12180 1 20 . 1 1 57 57 ALA CA C 92 54.288 54.288 53.429 0.859 18179 12181 1 20 . 1 1 57 57 ALA CB C 92 18.487 18.487 18.847 -0.360 18179 12182 1 20 . 1 1 57 57 ALA H H 92 8.695 8.695 8.207 0.488 18179 12183 1 20 . 1 1 58 58 GLU N N 93 112.263 112.263 119.278 -7.015 18179 12184 1 20 . 1 1 58 58 GLU HA H 93 4.156 4.156 4.338 -0.182 18179 12185 1 20 . 1 1 58 58 GLU C C 93 175.641 175.641 177.075 -1.434 18179 12186 1 20 . 1 1 58 58 GLU CA C 93 55.883 55.883 57.150 -1.267 18179 12187 1 20 . 1 1 58 58 GLU CB C 93 30.495 30.495 30.377 0.118 18179 12188 1 20 . 1 1 58 58 GLU H H 93 7.108 7.108 7.862 -0.754 18179 12189 1 20 . 1 1 59 59 ASN N N 94 120.422 120.422 117.776 2.646 18179 12190 1 20 . 1 1 59 59 ASN HA H 94 4.590 4.590 4.752 -0.162 18179 12191 1 20 . 1 1 59 59 ASN C C 94 174.151 174.151 174.692 -0.541 18179 12192 1 20 . 1 1 59 59 ASN CA C 94 54.056 54.056 53.574 0.482 18179 12193 1 20 . 1 1 59 59 ASN CB C 94 38.723 38.723 39.491 -0.768 18179 12194 1 20 . 1 1 59 59 ASN H H 94 7.269 7.269 7.985 -0.716 18179 12195 1 20 . 1 1 60 60 LYS N N 95 127.497 127.497 121.050 6.447 18179 12196 1 20 . 1 1 60 60 LYS HA H 95 3.770 3.770 4.174 -0.404 18179 12197 1 20 . 1 1 60 60 LYS C C 95 178.959 178.959 177.440 1.519 18179 12198 1 20 . 1 1 60 60 LYS CA C 95 59.337 59.337 58.396 0.941 18179 12199 1 20 . 1 1 60 60 LYS CB C 95 32.170 32.170 33.107 -0.937 18179 12200 1 20 . 1 1 60 60 LYS H H 95 8.672 8.672 8.551 0.121 18179 12201 1 20 . 1 1 61 61 GLU N N 96 119.409 119.409 119.733 -0.324 18179 12202 1 20 . 1 1 61 61 GLU HA H 96 3.984 3.984 4.169 -0.185 18179 12203 1 20 . 1 1 61 61 GLU C C 96 179.574 179.574 178.237 1.337 18179 12204 1 20 . 1 1 61 61 GLU CA C 96 59.955 59.955 58.954 1.001 18179 12205 1 20 . 1 1 61 61 GLU CB C 96 29.246 29.246 28.442 0.804 18179 12206 1 20 . 1 1 61 61 GLU H H 96 7.988 7.988 8.469 -0.481 18179 12207 1 20 . 1 1 62 62 ILE N N 97 122.621 122.621 120.942 1.679 18179 12208 1 20 . 1 1 62 62 ILE HA H 97 3.224 3.224 3.629 -0.405 18179 12209 1 20 . 1 1 62 62 ILE C C 97 177.158 177.158 177.787 -0.629 18179 12210 1 20 . 1 1 62 62 ILE CA C 97 65.787 65.787 63.949 1.838 18179 12211 1 20 . 1 1 62 62 ILE CB C 97 37.710 37.710 37.271 0.439 18179 12212 1 20 . 1 1 62 62 ILE H H 97 8.484 8.484 8.139 0.345 18179 12213 1 20 . 1 1 63 63 GLN N N 98 115.619 115.619 118.231 -2.612 18179 12214 1 20 . 1 1 63 63 GLN HA H 98 3.481 3.481 3.089 0.392 18179 12215 1 20 . 1 1 63 63 GLN C C 98 178.097 178.097 178.078 0.019 18179 12216 1 20 . 1 1 63 63 GLN CA C 98 58.601 58.601 58.920 -0.319 18179 12217 1 20 . 1 1 63 63 GLN CB C 98 28.834 28.834 28.182 0.652 18179 12218 1 20 . 1 1 63 63 GLN H H 98 8.046 8.046 7.853 0.193 18179 12219 1 20 . 1 1 64 64 LYS N N 99 116.464 116.464 119.567 -3.103 18179 12220 1 20 . 1 1 64 64 LYS HA H 99 4.125 4.125 4.086 0.039 18179 12221 1 20 . 1 1 64 64 LYS C C 99 179.740 179.740 179.578 0.162 18179 12222 1 20 . 1 1 64 64 LYS CA C 99 57.955 57.955 58.378 -0.423 18179 12223 1 20 . 1 1 64 64 LYS CB C 99 32.054 32.054 31.999 0.055 18179 12224 1 20 . 1 1 64 64 LYS H H 99 7.578 7.578 7.366 0.212 18179 12225 1 20 . 1 1 65 65 LEU N N 100 122.576 122.576 119.762 2.814 18179 12226 1 20 . 1 1 65 65 LEU HA H 100 4.128 4.128 4.179 -0.051 18179 12227 1 20 . 1 1 65 65 LEU C C 100 178.481 178.481 179.127 -0.646 18179 12228 1 20 . 1 1 65 65 LEU CA C 100 57.044 57.044 57.999 -0.955 18179 12229 1 20 . 1 1 65 65 LEU CB C 100 41.883 41.883 41.857 0.026 18179 12230 1 20 . 1 1 65 65 LEU H H 100 7.916 7.916 8.382 -0.466 18179 12231 1 20 . 1 1 66 66 ALA N N 101 119.534 119.534 120.204 -0.670 18179 12232 1 20 . 1 1 66 66 ALA HA H 101 3.810 3.810 4.421 -0.611 18179 12233 1 20 . 1 1 66 66 ALA C C 101 177.520 177.520 180.146 -2.626 18179 12234 1 20 . 1 1 66 66 ALA CA C 101 54.772 54.772 54.357 0.415 18179 12235 1 20 . 1 1 66 66 ALA CB C 101 17.737 17.737 19.071 -1.334 18179 12236 1 20 . 1 1 66 66 ALA H H 101 8.511 8.511 7.650 0.861 18179 12237 1 20 . 1 1 67 67 GLU N N 102 113.081 113.081 118.080 -4.999 18179 12238 1 20 . 1 1 67 67 GLU HA H 102 4.113 4.113 4.219 -0.106 18179 12239 1 20 . 1 1 67 67 GLU C C 102 178.295 178.295 177.817 0.478 18179 12240 1 20 . 1 1 67 67 GLU CA C 102 58.285 58.285 58.789 -0.504 18179 12241 1 20 . 1 1 67 67 GLU CB C 102 29.952 29.952 29.648 0.304 18179 12242 1 20 . 1 1 67 67 GLU H H 102 7.039 7.039 8.785 -1.746 18179 12243 1 20 . 1 1 68 68 GLN N N 103 116.244 116.244 117.113 -0.869 18179 12244 1 20 . 1 1 68 68 GLN HA H 103 4.107 4.107 4.239 -0.132 18179 12245 1 20 . 1 1 68 68 GLN C C 103 173.173 173.173 175.591 -2.418 18179 12246 1 20 . 1 1 68 68 GLN CA C 103 56.094 56.094 56.228 -0.134 18179 12247 1 20 . 1 1 68 68 GLN CB C 103 28.703 28.703 29.312 -0.609 18179 12248 1 20 . 1 1 68 68 GLN H H 103 8.167 8.167 7.675 0.492 18179 12249 1 20 . 1 1 69 69 PHE N N 104 116.822 116.822 116.864 -0.042 18179 12250 1 20 . 1 1 69 69 PHE HA H 104 4.645 4.645 4.665 -0.020 18179 12251 1 20 . 1 1 69 69 PHE C C 104 177.346 177.346 175.387 1.959 18179 12252 1 20 . 1 1 69 69 PHE CA C 104 57.254 57.254 56.988 0.266 18179 12253 1 20 . 1 1 69 69 PHE CB C 104 40.897 40.897 42.263 -1.366 18179 12254 1 20 . 1 1 69 69 PHE H H 104 7.633 7.633 7.632 0.001 18179 12255 1 20 . 1 1 70 70 VAL N N 105 120.799 120.799 121.005 -0.206 18179 12256 1 20 . 1 1 70 70 VAL HA H 105 3.867 3.867 4.156 -0.289 18179 12257 1 20 . 1 1 70 70 VAL C C 105 174.191 174.191 174.514 -0.323 18179 12258 1 20 . 1 1 70 70 VAL CA C 105 63.450 63.450 62.986 0.464 18179 12259 1 20 . 1 1 70 70 VAL CB C 105 31.566 31.566 32.060 -0.494 18179 12260 1 20 . 1 1 70 70 VAL H H 105 8.943 8.943 8.795 0.148 18179 12261 1 20 . 1 1 71 71 LEU N N 106 129.105 129.105 127.281 1.824 18179 12262 1 20 . 1 1 71 71 LEU HA H 106 4.850 4.850 4.720 0.130 18179 12263 1 20 . 1 1 71 71 LEU CA C 106 53.854 53.854 53.203 0.651 18179 12264 1 20 . 1 1 71 71 LEU CB C 106 44.478 44.478 46.175 -1.697 18179 12265 1 20 . 1 1 71 71 LEU H H 106 8.432 8.432 8.445 -0.013 18179 12266 1 20 . 1 1 72 72 LEU N N 107 123.682 123.682 125.820 -2.138 18179 12267 1 20 . 1 1 72 72 LEU H H 107 8.298 8.298 8.470 -0.172 18179 12268 1 20 . 1 1 73 73 ASN N N 108 125.520 125.520 124.439 1.081 18179 12269 1 20 . 1 1 73 73 ASN CA C 108 51.631 51.631 55.821 -4.190 18179 12270 1 20 . 1 1 73 73 ASN CB C 108 41.484 41.484 38.265 3.219 18179 12271 1 20 . 1 1 73 73 ASN H H 108 9.761 9.761 8.832 0.929 18179 12272 1 20 . 1 1 74 74 LEU N N 109 122.070 122.070 116.726 5.344 18179 12273 1 20 . 1 1 74 74 LEU H H 109 8.563 8.563 7.689 0.874 18179 12274 1 20 . 1 1 75 75 VAL HA H 110 5.100 5.100 4.196 0.904 18179 12275 1 20 . 1 1 75 75 VAL CA C 110 59.157 59.157 62.733 -3.576 18179 12276 1 20 . 1 1 76 76 TYR N N 111 120.641 120.641 126.212 -5.571 18179 12277 1 20 . 1 1 76 76 TYR HA H 111 4.569 4.569 4.815 -0.246 18179 12278 1 20 . 1 1 76 76 TYR C C 111 175.393 175.393 175.184 0.209 18179 12279 1 20 . 1 1 76 76 TYR CA C 111 57.736 57.736 58.772 -1.036 18179 12280 1 20 . 1 1 76 76 TYR CB C 111 39.426 39.426 39.517 -0.092 18179 12281 1 20 . 1 1 76 76 TYR H H 111 8.255 8.255 8.660 -0.405 18179 12282 1 20 . 1 1 79 79 THR HA H 114 4.180 4.180 4.641 -0.461 18179 12283 1 20 . 1 1 79 79 THR CA C 114 61.295 61.295 61.467 -0.172 18179 12284 1 20 . 1 1 79 79 THR CB C 114 68.683 68.683 70.624 -1.941 18179 12285 1 20 . 1 1 80 80 ASP N N 115 121.026 121.026 124.719 -3.693 18179 12286 1 20 . 1 1 80 80 ASP C C 115 177.959 177.959 176.919 1.040 18179 12287 1 20 . 1 1 80 80 ASP CA C 115 53.276 53.276 53.417 -0.141 18179 12288 1 20 . 1 1 80 80 ASP H H 115 7.746 7.746 8.491 -0.745 18179 12289 1 20 . 1 1 81 81 LYS N N 116 129.056 129.056 121.816 7.240 18179 12290 1 20 . 1 1 81 81 LYS HA H 116 3.828 3.828 4.154 -0.326 18179 12291 1 20 . 1 1 81 81 LYS C C 116 179.118 179.118 176.379 2.739 18179 12292 1 20 . 1 1 81 81 LYS CA C 116 57.957 57.957 57.668 0.289 18179 12293 1 20 . 1 1 81 81 LYS CB C 116 31.273 31.273 31.829 -0.556 18179 12294 1 20 . 1 1 81 81 LYS H H 116 8.873 8.873 8.566 0.307 18179 12295 1 20 . 1 1 82 82 HIS N N 117 116.887 116.887 117.785 -0.898 18179 12296 1 20 . 1 1 82 82 HIS HA H 117 4.290 4.290 4.516 -0.226 18179 12297 1 20 . 1 1 82 82 HIS C C 117 175.622 175.622 176.182 -0.560 18179 12298 1 20 . 1 1 82 82 HIS CA C 117 57.865 57.865 58.524 -0.659 18179 12299 1 20 . 1 1 82 82 HIS CB C 117 27.704 27.704 31.182 -3.478 18179 12300 1 20 . 1 1 82 82 HIS H H 117 8.707 8.707 8.189 0.518 18179 12301 1 20 . 1 1 83 83 LEU N N 118 113.733 113.733 118.284 -4.551 18179 12302 1 20 . 1 1 83 83 LEU HA H 118 4.290 4.290 4.544 -0.254 18179 12303 1 20 . 1 1 83 83 LEU C C 118 175.949 175.949 176.727 -0.778 18179 12304 1 20 . 1 1 83 83 LEU CA C 118 53.982 53.982 56.048 -2.066 18179 12305 1 20 . 1 1 83 83 LEU CB C 118 41.734 41.734 43.544 -1.810 18179 12306 1 20 . 1 1 83 83 LEU H H 118 7.332 7.332 8.984 -1.652 18179 12307 1 20 . 1 1 84 84 SER N N 119 111.979 111.979 112.303 -0.324 18179 12308 1 20 . 1 1 84 84 SER HA H 119 4.632 4.632 4.647 -0.015 18179 12309 1 20 . 1 1 84 84 SER C C 119 173.830 173.830 172.269 1.561 18179 12310 1 20 . 1 1 84 84 SER CA C 119 55.581 55.581 57.067 -1.486 18179 12311 1 20 . 1 1 84 84 SER CB C 119 62.367 62.367 63.677 -1.310 18179 12312 1 20 . 1 1 84 84 SER H H 119 7.268 7.268 7.653 -0.385 18179 12313 1 20 . 1 1 85 85 PRO HA H 120 4.384 4.384 4.474 -0.090 18179 12314 1 20 . 1 1 85 85 PRO C C 120 177.881 177.881 176.079 1.802 18179 12315 1 20 . 1 1 85 85 PRO CA C 120 65.292 65.292 64.046 1.246 18179 12316 1 20 . 1 1 85 85 PRO CB C 120 31.942 31.942 31.620 0.322 18179 12317 1 20 . 1 1 86 86 ASP N N 121 117.614 117.614 117.585 0.029 18179 12318 1 20 . 1 1 86 86 ASP HA H 121 4.960 4.960 4.717 0.243 18179 12319 1 20 . 1 1 86 86 ASP C C 121 174.734 174.734 176.638 -1.904 18179 12320 1 20 . 1 1 86 86 ASP CA C 121 51.999 51.999 53.983 -1.984 18179 12321 1 20 . 1 1 86 86 ASP CB C 121 40.327 40.327 41.615 -1.288 18179 12322 1 20 . 1 1 86 86 ASP H H 121 8.882 8.882 7.630 1.252 18179 12323 1 20 . 1 1 87 87 GLY N N 122 106.815 106.815 109.375 -2.560 18179 12324 1 20 . 1 1 87 87 GLY C C 122 173.401 173.401 174.437 -1.036 18179 12325 1 20 . 1 1 87 87 GLY CA C 122 43.814 43.814 45.870 -2.056 18179 12326 1 20 . 1 1 87 87 GLY H H 122 6.973 6.973 7.546 -0.573 18179 12327 1 20 . 1 1 88 88 GLN N N 123 118.319 118.319 122.303 -3.984 18179 12328 1 20 . 1 1 88 88 GLN HA H 123 3.984 3.984 4.358 -0.374 18179 12329 1 20 . 1 1 88 88 GLN C C 123 174.141 174.141 174.059 0.082 18179 12330 1 20 . 1 1 88 88 GLN CA C 123 54.717 54.717 55.541 -0.824 18179 12331 1 20 . 1 1 88 88 GLN CB C 123 27.267 27.267 29.414 -2.147 18179 12332 1 20 . 1 1 88 88 GLN H H 123 8.224 8.224 8.469 -0.245 18179 12333 1 20 . 1 1 89 89 TYR N N 124 117.220 117.220 118.734 -1.514 18179 12334 1 20 . 1 1 89 89 TYR HA H 124 4.596 4.596 4.686 -0.090 18179 12335 1 20 . 1 1 89 89 TYR C C 124 173.402 173.402 174.643 -1.241 18179 12336 1 20 . 1 1 89 89 TYR CA C 124 54.672 54.672 57.271 -2.599 18179 12337 1 20 . 1 1 89 89 TYR CB C 124 38.970 38.970 40.638 -1.668 18179 12338 1 20 . 1 1 89 89 TYR H H 124 5.954 5.954 7.653 -1.699 18179 12339 1 20 . 1 1 90 90 VAL N N 125 109.249 109.249 118.848 -9.599 18179 12340 1 20 . 1 1 90 90 VAL HA H 125 4.572 4.572 4.558 0.014 18179 12341 1 20 . 1 1 90 90 VAL C C 125 173.254 173.254 174.286 -1.032 18179 12342 1 20 . 1 1 90 90 VAL CA C 125 57.982 57.982 58.660 -0.678 18179 12343 1 20 . 1 1 90 90 VAL CB C 125 35.376 35.376 32.406 2.970 18179 12344 1 20 . 1 1 90 90 VAL H H 125 8.303 8.303 8.659 -0.356 18179 12345 1 20 . 1 1 92 92 ARG HA H 127 5.178 5.178 3.378 1.800 18179 12346 1 20 . 1 1 92 92 ARG CA C 127 55.689 55.689 58.459 -2.771 18179 12347 1 20 . 1 1 93 93 ILE N N 128 127.696 127.696 114.203 13.493 18179 12348 1 20 . 1 1 93 93 ILE HA H 128 5.088 5.088 5.047 0.041 18179 12349 1 20 . 1 1 93 93 ILE CA C 128 61.063 61.063 60.215 0.848 18179 12350 1 20 . 1 1 93 93 ILE CB C 128 39.101 39.101 41.722 -2.621 18179 12351 1 20 . 1 1 93 93 ILE H H 128 9.099 9.099 8.186 0.913 18179 12352 1 20 . 1 1 94 94 MET N N 129 122.683 122.683 120.359 2.324 18179 12353 1 20 . 1 1 94 94 MET C C 129 174.006 174.006 173.708 0.298 18179 12354 1 20 . 1 1 94 94 MET CA C 129 51.503 51.503 54.414 -2.911 18179 12355 1 20 . 1 1 94 94 MET CB C 129 34.764 34.764 38.056 -3.292 18179 12356 1 20 . 1 1 94 94 MET H H 129 8.496 8.496 9.141 -0.645 18179 12357 1 20 . 1 1 95 95 PHE N N 130 118.014 118.014 116.184 1.830 18179 12358 1 20 . 1 1 95 95 PHE HA H 130 5.589 5.589 5.549 0.040 18179 12359 1 20 . 1 1 95 95 PHE C C 130 174.811 174.811 173.130 1.681 18179 12360 1 20 . 1 1 95 95 PHE CA C 130 56.432 56.432 56.642 -0.210 18179 12361 1 20 . 1 1 95 95 PHE CB C 130 41.941 41.941 40.555 1.386 18179 12362 1 20 . 1 1 95 95 PHE H H 130 8.573 8.573 7.970 0.603 18179 12363 1 20 . 1 1 96 96 VAL N N 131 122.847 122.847 120.982 1.865 18179 12364 1 20 . 1 1 96 96 VAL HA H 131 4.337 4.337 4.353 -0.016 18179 12365 1 20 . 1 1 96 96 VAL C C 131 174.303 174.303 173.650 0.653 18179 12366 1 20 . 1 1 96 96 VAL CA C 131 61.405 61.405 60.720 0.685 18179 12367 1 20 . 1 1 96 96 VAL CB C 131 34.679 34.679 35.994 -1.315 18179 12368 1 20 . 1 1 96 96 VAL H H 131 9.855 9.855 8.425 1.430 18179 12369 1 20 . 1 1 97 97 ASP N N 132 128.042 128.042 121.487 6.555 18179 12370 1 20 . 1 1 97 97 ASP HA H 132 4.883 4.883 4.909 -0.026 18179 12371 1 20 . 1 1 97 97 ASP C C 132 174.958 174.958 174.225 0.733 18179 12372 1 20 . 1 1 97 97 ASP CA C 132 53.082 53.082 51.729 1.353 18179 12373 1 20 . 1 1 97 97 ASP CB C 132 45.484 45.484 44.724 0.760 18179 12374 1 20 . 1 1 97 97 ASP H H 132 8.399 8.399 8.096 0.303 18179 12375 1 20 . 1 1 98 98 PRO HA H 133 4.566 4.566 4.645 -0.079 18179 12376 1 20 . 1 1 98 98 PRO C C 133 175.650 175.650 177.181 -1.531 18179 12377 1 20 . 1 1 98 98 PRO CA C 133 65.207 65.207 64.595 0.612 18179 12378 1 20 . 1 1 98 98 PRO CB C 133 31.858 31.858 32.609 -0.751 18179 12379 1 20 . 1 1 99 99 SER N N 134 111.171 111.171 113.620 -2.449 18179 12380 1 20 . 1 1 99 99 SER HA H 134 4.122 4.122 4.394 -0.272 18179 12381 1 20 . 1 1 99 99 SER C C 134 175.303 175.303 176.419 -1.116 18179 12382 1 20 . 1 1 99 99 SER CA C 134 60.237 60.237 61.490 -1.253 18179 12383 1 20 . 1 1 99 99 SER CB C 134 64.471 64.471 63.612 0.859 18179 12384 1 20 . 1 1 99 99 SER H H 134 8.154 8.154 8.541 -0.387 18179 12385 1 20 . 1 1 100 100 LEU N N 135 118.112 118.112 120.309 -2.197 18179 12386 1 20 . 1 1 100 100 LEU HA H 135 3.683 3.683 4.216 -0.533 18179 12387 1 20 . 1 1 100 100 LEU C C 135 175.886 175.886 176.693 -0.807 18179 12388 1 20 . 1 1 100 100 LEU CA C 135 56.548 56.548 56.216 0.332 18179 12389 1 20 . 1 1 100 100 LEU CB C 135 36.922 36.922 42.477 -5.555 18179 12390 1 20 . 1 1 100 100 LEU H H 135 9.194 9.194 9.320 -0.126 18179 12391 1 20 . 1 1 101 101 THR N N 136 116.048 116.048 110.586 5.462 18179 12392 1 20 . 1 1 101 101 THR HA H 136 4.191 4.191 4.074 0.117 18179 12393 1 20 . 1 1 101 101 THR C C 136 173.771 173.771 173.306 0.465 18179 12394 1 20 . 1 1 101 101 THR CA C 136 62.123 62.123 63.044 -0.921 18179 12395 1 20 . 1 1 101 101 THR CB C 136 70.407 70.407 68.476 1.931 18179 12396 1 20 . 1 1 101 101 THR H H 136 7.022 7.022 7.663 -0.641 18179 12397 1 20 . 1 1 102 102 VAL N N 137 129.098 129.098 120.748 8.350 18179 12398 1 20 . 1 1 102 102 VAL HA H 137 3.874 3.874 4.245 -0.371 18179 12399 1 20 . 1 1 102 102 VAL C C 137 177.079 177.079 175.261 1.818 18179 12400 1 20 . 1 1 102 102 VAL CA C 137 64.163 64.163 60.872 3.291 18179 12401 1 20 . 1 1 102 102 VAL CB C 137 31.858 31.858 32.590 -0.732 18179 12402 1 20 . 1 1 102 102 VAL H H 137 9.039 9.039 8.234 0.805 18179 12403 1 20 . 1 1 103 103 ARG N N 138 128.421 128.421 123.716 4.705 18179 12404 1 20 . 1 1 103 103 ARG HA H 138 4.724 4.724 4.551 0.173 18179 12405 1 20 . 1 1 103 103 ARG C C 138 177.315 177.315 175.965 1.350 18179 12406 1 20 . 1 1 103 103 ARG CA C 138 50.845 50.845 54.932 -4.087 18179 12407 1 20 . 1 1 103 103 ARG CB C 138 25.210 25.210 31.314 -6.104 18179 12408 1 20 . 1 1 103 103 ARG H H 138 9.355 9.355 8.767 0.588 18179 12409 1 20 . 1 1 104 104 ALA N N 139 130.638 130.638 128.797 1.841 18179 12410 1 20 . 1 1 104 104 ALA HA H 139 4.128 4.128 4.560 -0.432 18179 12411 1 20 . 1 1 104 104 ALA C C 139 170.819 170.819 177.298 -6.479 18179 12412 1 20 . 1 1 104 104 ALA CA C 139 53.517 53.517 52.501 1.016 18179 12413 1 20 . 1 1 104 104 ALA CB C 139 18.047 18.047 17.950 0.098 18179 12414 1 20 . 1 1 104 104 ALA H H 139 8.340 8.340 8.750 -0.410 18179 12415 1 20 . 1 1 105 105 ASP N N 140 113.599 113.599 119.455 -5.856 18179 12416 1 20 . 1 1 105 105 ASP HA H 140 4.356 4.356 4.659 -0.303 18179 12417 1 20 . 1 1 105 105 ASP C C 140 175.173 175.173 176.159 -0.986 18179 12418 1 20 . 1 1 105 105 ASP CA C 140 54.097 54.097 54.839 -0.742 18179 12419 1 20 . 1 1 105 105 ASP CB C 140 39.219 39.219 41.626 -2.406 18179 12420 1 20 . 1 1 105 105 ASP H H 140 9.653 9.653 7.958 1.695 18179 12421 1 20 . 1 1 106 106 ILE N N 141 122.867 122.867 122.577 0.290 18179 12422 1 20 . 1 1 106 106 ILE HA H 141 4.332 4.332 4.020 0.312 18179 12423 1 20 . 1 1 106 106 ILE C C 141 174.778 174.778 175.215 -0.437 18179 12424 1 20 . 1 1 106 106 ILE CA C 141 62.464 62.464 62.020 0.444 18179 12425 1 20 . 1 1 106 106 ILE CB C 141 36.210 36.210 36.767 -0.557 18179 12426 1 20 . 1 1 106 106 ILE H H 141 7.541 7.541 7.700 -0.159 18179 12427 1 20 . 1 1 107 107 THR N N 142 117.525 117.525 122.258 -4.733 18179 12428 1 20 . 1 1 107 107 THR HA H 142 4.721 4.721 4.666 0.055 18179 12429 1 20 . 1 1 107 107 THR C C 142 175.898 175.898 173.625 2.273 18179 12430 1 20 . 1 1 107 107 THR CA C 142 59.199 59.199 60.825 -1.626 18179 12431 1 20 . 1 1 107 107 THR CB C 142 71.817 71.817 71.882 -0.065 18179 12432 1 20 . 1 1 107 107 THR H H 142 7.816 7.816 7.678 0.138 18179 12433 1 20 . 1 1 108 108 GLY N N 143 109.853 109.853 111.388 -1.535 18179 12434 1 20 . 1 1 108 108 GLY C C 143 174.389 174.389 173.918 0.471 18179 12435 1 20 . 1 1 108 108 GLY CA C 143 44.291 44.291 45.632 -1.341 18179 12436 1 20 . 1 1 108 108 GLY H H 143 8.891 8.891 8.730 0.161 18179 12437 1 20 . 1 1 109 109 ARG N N 144 116.076 116.076 116.869 -0.793 18179 12438 1 20 . 1 1 109 109 ARG HA H 144 4.006 4.006 4.234 -0.228 18179 12439 1 20 . 1 1 109 109 ARG C C 144 176.521 176.521 175.074 1.447 18179 12440 1 20 . 1 1 109 109 ARG CA C 144 55.989 55.989 56.195 -0.206 18179 12441 1 20 . 1 1 109 109 ARG CB C 144 30.851 30.851 31.095 -0.244 18179 12442 1 20 . 1 1 109 109 ARG H H 144 8.108 8.108 8.095 0.013 18179 12443 1 20 . 1 1 110 110 TYR N N 145 123.010 123.010 121.462 1.548 18179 12444 1 20 . 1 1 110 110 TYR HA H 145 4.506 4.506 4.929 -0.423 18179 12445 1 20 . 1 1 110 110 TYR C C 145 178.395 178.395 175.221 3.174 18179 12446 1 20 . 1 1 110 110 TYR CA C 145 57.217 57.217 57.183 0.034 18179 12447 1 20 . 1 1 110 110 TYR CB C 145 37.232 37.232 39.430 -2.198 18179 12448 1 20 . 1 1 110 110 TYR H H 145 8.825 8.825 8.108 0.717 18179 12449 1 20 . 1 1 111 111 SER N N 146 120.152 120.152 117.823 2.329 18179 12450 1 20 . 1 1 111 111 SER HA H 146 3.948 3.948 4.359 -0.411 18179 12451 1 20 . 1 1 111 111 SER C C 146 174.939 174.939 175.419 -0.480 18179 12452 1 20 . 1 1 111 111 SER CA C 146 60.850 60.850 59.833 1.017 18179 12453 1 20 . 1 1 111 111 SER CB C 146 62.776 62.776 63.148 -0.372 18179 12454 1 20 . 1 1 111 111 SER H H 146 8.616 8.616 8.656 -0.040 18179 12455 1 20 . 1 1 112 112 ASN N N 147 116.146 116.146 118.471 -2.325 18179 12456 1 20 . 1 1 112 112 ASN HA H 147 4.558 4.558 4.571 -0.013 18179 12457 1 20 . 1 1 112 112 ASN C C 147 173.693 173.693 175.346 -1.653 18179 12458 1 20 . 1 1 112 112 ASN CA C 147 53.209 53.209 55.143 -1.934 18179 12459 1 20 . 1 1 112 112 ASN CB C 147 37.534 37.534 38.617 -1.083 18179 12460 1 20 . 1 1 112 112 ASN H H 147 8.374 8.374 8.333 0.041 18179 12461 1 20 . 1 1 113 113 ARG N N 148 121.673 121.673 117.255 4.418 18179 12462 1 20 . 1 1 113 113 ARG HA H 148 4.226 4.226 4.354 -0.128 18179 12463 1 20 . 1 1 113 113 ARG C C 148 176.358 176.358 174.459 1.899 18179 12464 1 20 . 1 1 113 113 ARG CA C 148 55.251 55.251 56.449 -1.198 18179 12465 1 20 . 1 1 113 113 ARG CB C 148 30.973 30.973 29.060 1.913 18179 12466 1 20 . 1 1 113 113 ARG H H 148 6.782 6.782 7.533 -0.751 18179 12467 1 20 . 1 1 114 114 LEU N N 149 125.966 125.966 126.866 -0.900 18179 12468 1 20 . 1 1 114 114 LEU HA H 149 3.776 3.776 4.153 -0.377 18179 12469 1 20 . 1 1 114 114 LEU C C 149 175.787 175.787 175.932 -0.145 18179 12470 1 20 . 1 1 114 114 LEU CA C 149 57.640 57.640 56.536 1.104 18179 12471 1 20 . 1 1 114 114 LEU CB C 149 43.153 43.153 42.206 0.947 18179 12472 1 20 . 1 1 114 114 LEU H H 149 9.976 9.976 8.531 1.445 18179 12473 1 20 . 1 1 115 115 TYR N N 150 115.137 115.137 115.709 -0.572 18179 12474 1 20 . 1 1 115 115 TYR HA H 150 4.947 4.947 4.640 0.307 18179 12475 1 20 . 1 1 115 115 TYR C C 150 174.449 174.449 174.269 0.180 18179 12476 1 20 . 1 1 115 115 TYR CA C 150 55.986 55.986 57.266 -1.280 18179 12477 1 20 . 1 1 115 115 TYR CB C 150 38.660 38.660 41.465 -2.805 18179 12478 1 20 . 1 1 115 115 TYR H H 150 8.272 8.272 7.780 0.492 18179 12479 1 20 . 1 1 116 116 ALA N N 151 121.349 121.349 125.376 -4.027 18179 12480 1 20 . 1 1 116 116 ALA HA H 151 5.086 5.086 4.764 0.322 18179 12481 1 20 . 1 1 116 116 ALA C C 151 177.541 177.541 174.691 2.850 18179 12482 1 20 . 1 1 116 116 ALA CA C 151 51.614 51.614 52.332 -0.718 18179 12483 1 20 . 1 1 116 116 ALA CB C 151 21.262 21.262 20.592 0.670 18179 12484 1 20 . 1 1 116 116 ALA H H 151 7.515 7.515 8.474 -0.959 18179 12485 1 20 . 1 1 117 117 TYR N N 152 115.287 115.287 122.693 -7.406 18179 12486 1 20 . 1 1 117 117 TYR HA H 152 4.693 4.693 4.599 0.094 18179 12487 1 20 . 1 1 117 117 TYR C C 152 173.749 173.749 174.043 -0.294 18179 12488 1 20 . 1 1 117 117 TYR CA C 152 58.142 58.142 59.159 -1.017 18179 12489 1 20 . 1 1 117 117 TYR CB C 152 42.827 42.827 40.452 2.375 18179 12490 1 20 . 1 1 117 117 TYR H H 152 6.916 6.916 8.597 -1.681 18179 12491 1 20 . 1 1 118 118 GLU N N 153 122.624 122.624 120.401 2.223 18179 12492 1 20 . 1 1 118 118 GLU HA H 153 4.951 4.951 4.996 -0.045 18179 12493 1 20 . 1 1 118 118 GLU C C 153 175.895 175.895 175.689 0.206 18179 12494 1 20 . 1 1 118 118 GLU CA C 153 54.029 54.029 53.393 0.636 18179 12495 1 20 . 1 1 118 118 GLU CB C 153 29.513 29.513 30.061 -0.548 18179 12496 1 20 . 1 1 118 118 GLU H H 153 9.508 9.508 8.270 1.238 18179 12497 1 20 . 1 1 119 119 PRO HA H 154 4.119 4.119 4.426 -0.307 18179 12498 1 20 . 1 1 119 119 PRO C C 154 176.457 176.457 177.109 -0.652 18179 12499 1 20 . 1 1 119 119 PRO CA C 154 66.240 66.240 64.985 1.255 18179 12500 1 20 . 1 1 119 119 PRO CB C 154 31.682 31.682 31.846 -0.164 18179 12501 1 20 . 1 1 120 120 ALA N N 155 114.721 114.721 120.753 -6.032 18179 12502 1 20 . 1 1 120 120 ALA HA H 155 4.372 4.372 4.206 0.166 18179 12503 1 20 . 1 1 120 120 ALA C C 155 178.528 178.528 178.577 -0.049 18179 12504 1 20 . 1 1 120 120 ALA CA C 155 53.148 53.148 54.324 -1.176 18179 12505 1 20 . 1 1 120 120 ALA CB C 155 18.782 18.782 18.826 -0.044 18179 12506 1 20 . 1 1 120 120 ALA H H 155 7.697 7.697 7.990 -0.293 18179 12507 1 20 . 1 1 121 121 ASP N N 156 117.502 117.502 117.888 -0.386 18179 12508 1 20 . 1 1 121 121 ASP HA H 156 5.154 5.154 4.873 0.281 18179 12509 1 20 . 1 1 121 121 ASP C C 156 176.756 176.756 177.259 -0.503 18179 12510 1 20 . 1 1 121 121 ASP CA C 156 54.742 54.742 54.935 -0.193 18179 12511 1 20 . 1 1 121 121 ASP CB C 156 42.326 42.326 40.806 1.520 18179 12512 1 20 . 1 1 121 121 ASP H H 156 8.493 8.493 7.927 0.566 18179 12513 1 20 . 1 1 122 122 THR N N 157 111.372 111.372 115.480 -4.108 18179 12514 1 20 . 1 1 122 122 THR HA H 157 3.738 3.738 3.957 -0.219 18179 12515 1 20 . 1 1 122 122 THR C C 157 176.023 176.023 175.832 0.191 18179 12516 1 20 . 1 1 122 122 THR CA C 157 66.673 66.673 66.281 0.392 18179 12517 1 20 . 1 1 122 122 THR CB C 157 67.967 67.967 68.084 -0.117 18179 12518 1 20 . 1 1 122 122 THR H H 157 7.428 7.428 7.524 -0.096 18179 12519 1 20 . 1 1 123 123 ALA N N 158 123.853 123.853 124.494 -0.641 18179 12520 1 20 . 1 1 123 123 ALA HA H 158 4.133 4.133 4.066 0.067 18179 12521 1 20 . 1 1 123 123 ALA C C 158 179.987 179.987 179.401 0.586 18179 12522 1 20 . 1 1 123 123 ALA CA C 158 55.545 55.545 55.051 0.494 18179 12523 1 20 . 1 1 123 123 ALA CB C 158 17.458 17.458 17.885 -0.427 18179 12524 1 20 . 1 1 123 123 ALA H H 158 8.663 8.663 8.426 0.237 18179 12525 1 20 . 1 1 124 124 LEU N N 159 121.199 121.199 118.815 2.384 18179 12526 1 20 . 1 1 124 124 LEU HA H 159 4.229 4.229 4.032 0.197 18179 12527 1 20 . 1 1 124 124 LEU C C 159 178.342 178.342 178.899 -0.557 18179 12528 1 20 . 1 1 124 124 LEU CA C 159 57.329 57.329 57.286 0.043 18179 12529 1 20 . 1 1 124 124 LEU CB C 159 41.956 41.956 42.104 -0.148 18179 12530 1 20 . 1 1 124 124 LEU H H 159 7.444 7.444 7.993 -0.549 18179 12531 1 20 . 1 1 125 125 LEU N N 160 119.836 119.836 118.988 0.848 18179 12532 1 20 . 1 1 125 125 LEU HA H 160 3.963 3.963 3.981 -0.018 18179 12533 1 20 . 1 1 125 125 LEU C C 160 178.168 178.168 179.121 -0.953 18179 12534 1 20 . 1 1 125 125 LEU CA C 160 58.475 58.475 57.578 0.897 18179 12535 1 20 . 1 1 125 125 LEU CB C 160 40.915 40.915 41.568 -0.653 18179 12536 1 20 . 1 1 125 125 LEU H H 160 8.430 8.430 7.710 0.720 18179 12537 1 20 . 1 1 126 126 LEU N N 161 120.046 120.046 122.102 -2.056 18179 12538 1 20 . 1 1 126 126 LEU HA H 161 4.000 4.000 3.946 0.054 18179 12539 1 20 . 1 1 126 126 LEU C C 161 178.848 178.848 178.316 0.532 18179 12540 1 20 . 1 1 126 126 LEU CA C 161 58.524 58.524 58.265 0.259 18179 12541 1 20 . 1 1 126 126 LEU CB C 161 42.005 42.005 41.566 0.439 18179 12542 1 20 . 1 1 126 126 LEU H H 161 8.127 8.127 8.540 -0.413 18179 12543 1 20 . 1 1 127 127 ASP N N 162 119.057 119.057 118.286 0.771 18179 12544 1 20 . 1 1 127 127 ASP HA H 162 4.267 4.267 4.245 0.022 18179 12545 1 20 . 1 1 127 127 ASP C C 162 179.299 179.299 178.478 0.821 18179 12546 1 20 . 1 1 127 127 ASP CA C 162 57.699 57.699 57.641 0.059 18179 12547 1 20 . 1 1 127 127 ASP CB C 162 40.564 40.564 40.788 -0.224 18179 12548 1 20 . 1 1 127 127 ASP H H 162 7.872 7.872 8.464 -0.592 18179 12549 1 20 . 1 1 128 128 ASN N N 163 122.268 122.268 118.353 3.915 18179 12550 1 20 . 1 1 128 128 ASN HA H 163 4.423 4.423 4.422 0.001 18179 12551 1 20 . 1 1 128 128 ASN C C 163 177.256 177.256 177.769 -0.513 18179 12552 1 20 . 1 1 128 128 ASN CA C 163 54.502 54.502 56.265 -1.763 18179 12553 1 20 . 1 1 128 128 ASN CB C 163 36.821 36.821 38.794 -1.973 18179 12554 1 20 . 1 1 128 128 ASN H H 163 8.711 8.711 7.974 0.737 18179 12555 1 20 . 1 1 129 129 MET N N 164 122.448 122.448 119.383 3.065 18179 12556 1 20 . 1 1 129 129 MET HA H 164 3.583 3.583 4.030 -0.447 18179 12557 1 20 . 1 1 129 129 MET C C 164 178.272 178.272 178.169 0.103 18179 12558 1 20 . 1 1 129 129 MET CA C 164 59.617 59.617 59.459 0.158 18179 12559 1 20 . 1 1 129 129 MET CB C 164 34.481 34.481 32.672 1.809 18179 12560 1 20 . 1 1 129 129 MET H H 164 8.704 8.704 8.523 0.181 18179 12561 1 20 . 1 1 130 130 LYS N N 165 117.243 117.243 119.027 -1.784 18179 12562 1 20 . 1 1 130 130 LYS HA H 165 3.869 3.869 3.855 0.014 18179 12563 1 20 . 1 1 130 130 LYS C C 165 180.050 180.050 178.807 1.243 18179 12564 1 20 . 1 1 130 130 LYS CA C 165 60.517 60.517 59.639 0.878 18179 12565 1 20 . 1 1 130 130 LYS CB C 165 31.836 31.836 32.122 -0.286 18179 12566 1 20 . 1 1 130 130 LYS H H 165 7.767 7.767 8.120 -0.353 18179 12567 1 20 . 1 1 131 131 LYS N N 166 120.486 120.486 118.225 2.261 18179 12568 1 20 . 1 1 131 131 LYS HA H 166 3.853 3.853 3.941 -0.088 18179 12569 1 20 . 1 1 131 131 LYS C C 166 179.232 179.232 177.223 2.009 18179 12570 1 20 . 1 1 131 131 LYS CA C 166 60.171 60.171 58.648 1.522 18179 12571 1 20 . 1 1 131 131 LYS CB C 166 32.783 32.783 32.485 0.298 18179 12572 1 20 . 1 1 131 131 LYS H H 166 7.914 7.914 7.956 -0.042 18179 12573 1 20 . 1 1 132 132 ALA N N 167 122.426 122.426 119.986 2.440 18179 12574 1 20 . 1 1 132 132 ALA HA H 167 3.625 3.625 3.407 0.218 18179 12575 1 20 . 1 1 132 132 ALA C C 167 177.616 177.616 178.639 -1.023 18179 12576 1 20 . 1 1 132 132 ALA CA C 167 54.246 54.246 53.352 0.894 18179 12577 1 20 . 1 1 132 132 ALA CB C 167 18.261 18.261 18.638 -0.377 18179 12578 1 20 . 1 1 132 132 ALA H H 167 7.801 7.801 7.083 0.718 18179 12579 1 20 . 1 1 133 133 LEU N N 168 113.735 113.735 116.834 -3.099 18179 12580 1 20 . 1 1 133 133 LEU HA H 168 3.747 3.747 3.952 -0.205 18179 12581 1 20 . 1 1 133 133 LEU C C 168 177.322 177.322 176.245 1.077 18179 12582 1 20 . 1 1 133 133 LEU CA C 168 55.892 55.892 56.148 -0.257 18179 12583 1 20 . 1 1 133 133 LEU CB C 168 42.159 42.159 42.189 -0.030 18179 12584 1 20 . 1 1 133 133 LEU H H 168 7.010 7.010 7.171 -0.161 18179 12585 1 20 . 1 1 134 134 LYS N N 169 123.034 123.034 120.213 2.821 18179 12586 1 20 . 1 1 134 134 LYS HA H 169 4.331 4.331 4.405 -0.074 18179 12587 1 20 . 1 1 134 134 LYS C C 169 174.307 174.307 175.149 -0.842 18179 12588 1 20 . 1 1 134 134 LYS CA C 169 55.382 55.382 54.418 0.964 18179 12589 1 20 . 1 1 134 134 LYS CB C 169 29.718 29.718 32.150 -2.432 18179 12590 1 20 . 1 1 134 134 LYS H H 169 7.202 7.202 7.161 0.041 18179 12591 1 20 . 1 1 135 135 LEU N N 170 120.490 120.490 124.960 -4.470 18179 12592 1 20 . 1 1 135 135 LEU HA H 170 3.980 3.980 4.226 -0.246 18179 12593 1 20 . 1 1 135 135 LEU C C 170 178.427 178.427 176.771 1.656 18179 12594 1 20 . 1 1 135 135 LEU CA C 170 54.884 54.884 56.123 -1.239 18179 12595 1 20 . 1 1 135 135 LEU CB C 170 40.903 40.903 42.432 -1.529 18179 12596 1 20 . 1 1 135 135 LEU H H 170 7.334 7.334 8.359 -1.025 18179 12597 1 20 . 1 1 136 136 LEU N N 171 120.084 120.084 119.853 0.231 18179 12598 1 20 . 1 1 136 136 LEU HA H 171 4.040 4.040 3.998 0.042 18179 12599 1 20 . 1 1 136 136 LEU C C 171 178.231 178.231 177.185 1.046 18179 12600 1 20 . 1 1 136 136 LEU CA C 171 55.750 55.750 55.624 0.126 18179 12601 1 20 . 1 1 136 136 LEU CB C 171 41.734 41.734 41.413 0.321 18179 12602 1 20 . 1 1 136 136 LEU H H 171 8.614 8.614 8.660 -0.046 18179 12603 1 20 . 1 1 137 137 LYS N N 172 121.059 121.059 119.166 1.893 18179 12604 1 20 . 1 1 137 137 LYS HA H 172 4.333 4.333 3.876 0.458 18179 12605 1 20 . 1 1 137 137 LYS C C 172 174.388 174.388 177.115 -2.727 18179 12606 1 20 . 1 1 137 137 LYS CA C 172 55.903 55.903 57.897 -1.994 18179 12607 1 20 . 1 1 137 137 LYS CB C 172 32.681 32.681 31.771 0.910 18179 12608 1 20 . 1 1 137 137 LYS H H 172 8.468 8.468 8.440 0.028 18179 12609 1 20 . 1 1 138 138 THR N N 173 116.267 116.267 109.781 6.486 18179 12610 1 20 . 1 1 138 138 THR HA H 173 4.261 4.261 3.883 0.378 18179 12611 1 20 . 1 1 138 138 THR C C 173 174.267 174.267 173.912 0.355 18179 12612 1 20 . 1 1 138 138 THR CA C 173 61.867 61.867 64.519 -2.652 18179 12613 1 20 . 1 1 138 138 THR CB C 173 69.848 69.848 67.802 2.046 18179 12614 1 20 . 1 1 138 138 THR H H 173 8.095 8.095 8.512 -0.417 18179 12615 1 20 . 1 1 139 139 GLU N N 174 123.648 123.648 125.887 -2.239 18179 12616 1 20 . 1 1 139 139 GLU HA H 174 4.288 4.288 4.201 0.087 18179 12617 1 20 . 1 1 139 139 GLU C C 174 175.178 175.178 175.948 -0.770 18179 12618 1 20 . 1 1 139 139 GLU CA C 174 56.205 56.205 55.982 0.223 18179 12619 1 20 . 1 1 139 139 GLU CB C 174 30.353 30.353 29.657 0.696 18179 12620 1 20 . 1 1 139 139 GLU H H 174 8.293 8.293 8.143 0.150 18179 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 105 4.104 0.210 4.118 18179 2 1 1 "Average Difference" HA 107 0.386 0.054 0.384 18179 3 1 1 "Average Difference" C 98 1.716 0.013 1.724 18179 4 1 1 "Average Difference" CA 112 1.502 -0.110 1.505 18179 5 1 1 "Average Difference" CB 108 1.659 0.047 1.666 18179 6 1 1 "Average Difference" HN 105 0.739 -0.152 0.726 18179 7 1 2 "Average Difference" N 105 3.846 -0.105 3.863 18179 8 1 2 "Average Difference" HA 107 0.399 0.043 0.398 18179 9 1 2 "Average Difference" C 98 1.697 0.072 1.704 18179 10 1 2 "Average Difference" CA 112 1.369 -0.068 1.374 18179 11 1 2 "Average Difference" CB 108 1.505 -0.058 1.511 18179 12 1 2 "Average Difference" HN 105 0.789 -0.154 0.778 18179 13 1 3 "Average Difference" N 105 3.900 0.114 3.917 18179 14 1 3 "Average Difference" HA 107 0.375 0.028 0.376 18179 15 1 3 "Average Difference" C 98 1.753 0.097 1.759 18179 16 1 3 "Average Difference" CA 112 1.593 0.029 1.600 18179 17 1 3 "Average Difference" CB 108 1.627 -0.055 1.634 18179 18 1 3 "Average Difference" HN 105 0.727 -0.138 0.718 18179 19 1 4 "Average Difference" N 105 3.697 0.381 3.695 18179 20 1 4 "Average Difference" HA 107 0.414 0.074 0.410 18179 21 1 4 "Average Difference" C 98 1.587 0.112 1.591 18179 22 1 4 "Average Difference" CA 112 1.394 -0.010 1.400 18179 23 1 4 "Average Difference" CB 108 1.503 0.019 1.510 18179 24 1 4 "Average Difference" HN 105 0.712 -0.115 0.706 18179 25 1 5 "Average Difference" N 105 3.932 -0.118 3.949 18179 26 1 5 "Average Difference" HA 107 0.401 0.044 0.400 18179 27 1 5 "Average Difference" C 98 1.644 0.033 1.652 18179 28 1 5 "Average Difference" CA 112 1.477 -0.112 1.479 18179 29 1 5 "Average Difference" CB 108 1.727 -0.023 1.734 18179 30 1 5 "Average Difference" HN 105 0.745 -0.125 0.738 18179 31 1 6 "Average Difference" N 105 3.972 0.303 3.980 18179 32 1 6 "Average Difference" HA 107 0.343 0.038 0.342 18179 33 1 6 "Average Difference" C 98 1.665 0.023 1.673 18179 34 1 6 "Average Difference" CA 112 1.420 0.045 1.425 18179 35 1 6 "Average Difference" CB 108 1.631 -0.014 1.638 18179 36 1 6 "Average Difference" HN 105 0.749 -0.091 0.747 18179 37 1 7 "Average Difference" N 105 3.882 0.043 3.900 18179 38 1 7 "Average Difference" HA 107 0.374 0.006 0.376 18179 39 1 7 "Average Difference" C 98 1.678 0.069 1.685 18179 40 1 7 "Average Difference" CA 112 1.342 0.079 1.346 18179 41 1 7 "Average Difference" CB 108 1.580 0.136 1.582 18179 42 1 7 "Average Difference" HN 105 0.755 -0.137 0.746 18179 43 1 8 "Average Difference" N 105 4.115 0.041 4.135 18179 44 1 8 "Average Difference" HA 107 0.372 0.072 0.367 18179 45 1 8 "Average Difference" C 98 1.751 0.063 1.758 18179 46 1 8 "Average Difference" CA 112 1.399 -0.002 1.406 18179 47 1 8 "Average Difference" CB 108 1.635 0.044 1.642 18179 48 1 8 "Average Difference" HN 105 0.766 -0.119 0.761 18179 49 1 9 "Average Difference" N 105 3.972 0.111 3.990 18179 50 1 9 "Average Difference" HA 107 0.342 0.045 0.341 18179 51 1 9 "Average Difference" C 98 1.645 0.051 1.653 18179 52 1 9 "Average Difference" CA 112 1.572 0.165 1.570 18179 53 1 9 "Average Difference" CB 108 1.476 0.023 1.483 18179 54 1 9 "Average Difference" HN 105 0.712 -0.071 0.712 18179 55 1 10 "Average Difference" N 105 3.660 -0.008 3.678 18179 56 1 10 "Average Difference" HA 107 0.354 0.061 0.351 18179 57 1 10 "Average Difference" C 98 1.619 -0.047 1.627 18179 58 1 10 "Average Difference" CA 112 1.353 -0.103 1.355 18179 59 1 10 "Average Difference" CB 108 1.773 0.190 1.771 18179 60 1 10 "Average Difference" HN 105 0.783 -0.152 0.772 18179 61 1 11 "Average Difference" N 105 3.745 -0.117 3.761 18179 62 1 11 "Average Difference" HA 107 0.364 0.005 0.365 18179 63 1 11 "Average Difference" C 98 1.569 0.046 1.576 18179 64 1 11 "Average Difference" CA 112 1.281 0.028 1.286 18179 65 1 11 "Average Difference" CB 108 1.629 -0.005 1.637 18179 66 1 11 "Average Difference" HN 105 0.760 -0.167 0.745 18179 67 1 12 "Average Difference" N 105 4.176 0.066 4.196 18179 68 1 12 "Average Difference" HA 107 0.388 0.087 0.379 18179 69 1 12 "Average Difference" C 98 1.654 -0.043 1.662 18179 70 1 12 "Average Difference" CA 112 1.338 -0.085 1.341 18179 71 1 12 "Average Difference" CB 108 1.679 0.196 1.675 18179 72 1 12 "Average Difference" HN 105 0.736 -0.119 0.730 18179 73 1 13 "Average Difference" N 105 3.821 -0.402 3.818 18179 74 1 13 "Average Difference" HA 107 0.425 0.034 0.426 18179 75 1 13 "Average Difference" C 98 1.614 0.042 1.622 18179 76 1 13 "Average Difference" CA 112 1.452 0.095 1.455 18179 77 1 13 "Average Difference" CB 108 1.540 -0.016 1.547 18179 78 1 13 "Average Difference" HN 105 0.693 -0.143 0.681 18179 79 1 14 "Average Difference" N 105 3.777 0.027 3.795 18179 80 1 14 "Average Difference" HA 107 0.362 0.021 0.363 18179 81 1 14 "Average Difference" C 98 1.739 0.032 1.748 18179 82 1 14 "Average Difference" CA 112 1.286 -0.027 1.292 18179 83 1 14 "Average Difference" CB 108 1.592 -0.013 1.599 18179 84 1 14 "Average Difference" HN 105 0.687 -0.077 0.686 18179 85 1 15 "Average Difference" N 105 3.891 0.267 3.901 18179 86 1 15 "Average Difference" HA 107 0.348 0.071 0.343 18179 87 1 15 "Average Difference" C 98 1.564 0.023 1.572 18179 88 1 15 "Average Difference" CA 112 1.336 -0.054 1.341 18179 89 1 15 "Average Difference" CB 108 1.558 0.052 1.565 18179 90 1 15 "Average Difference" HN 105 0.751 -0.115 0.746 18179 91 1 16 "Average Difference" N 105 3.707 0.393 3.703 18179 92 1 16 "Average Difference" HA 107 0.349 0.014 0.350 18179 93 1 16 "Average Difference" C 98 1.687 0.074 1.694 18179 94 1 16 "Average Difference" CA 112 1.497 0.131 1.498 18179 95 1 16 "Average Difference" CB 108 1.620 -0.030 1.627 18179 96 1 16 "Average Difference" HN 105 0.675 -0.092 0.672 18179 97 1 17 "Average Difference" N 105 4.036 0.164 4.052 18179 98 1 17 "Average Difference" HA 107 0.408 0.029 0.409 18179 99 1 17 "Average Difference" C 98 1.694 -0.019 1.702 18179 100 1 17 "Average Difference" CA 112 1.564 0.061 1.570 18179 101 1 17 "Average Difference" CB 108 1.768 -0.034 1.776 18179 102 1 17 "Average Difference" HN 105 0.752 -0.159 0.738 18179 103 1 18 "Average Difference" N 105 4.041 -0.014 4.060 18179 104 1 18 "Average Difference" HA 107 0.360 0.061 0.357 18179 105 1 18 "Average Difference" C 98 1.696 -0.037 1.704 18179 106 1 18 "Average Difference" CA 112 1.259 0.044 1.264 18179 107 1 18 "Average Difference" CB 108 1.681 0.134 1.684 18179 108 1 18 "Average Difference" HN 105 0.662 -0.098 0.657 18179 109 1 19 "Average Difference" N 105 4.117 -0.043 4.136 18179 110 1 19 "Average Difference" HA 107 0.390 0.014 0.391 18179 111 1 19 "Average Difference" C 98 1.733 0.032 1.742 18179 112 1 19 "Average Difference" CA 112 1.398 -0.039 1.404 18179 113 1 19 "Average Difference" CB 108 1.625 0.064 1.632 18179 114 1 19 "Average Difference" HN 105 0.753 -0.122 0.746 18179 115 1 20 "Average Difference" N 105 3.937 -0.162 3.952 18179 116 1 20 "Average Difference" HA 107 0.352 0.049 0.350 18179 117 1 20 "Average Difference" C 98 1.665 -0.016 1.673 18179 118 1 20 "Average Difference" CA 112 1.332 0.152 1.329 18179 119 1 20 "Average Difference" CB 108 1.579 0.193 1.575 18179 120 1 20 "Average Difference" HN 105 0.723 -0.062 0.724 18179 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 18179 _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 17 17 LEU N N 52 120.529 120.529 121.974 -1.445 18179 2 1 . 1 1 17 17 LEU HA H 52 4.317 4.317 4.363 -0.046 18179 3 1 . 1 1 17 17 LEU CA C 52 53.456 53.456 54.685 -1.229 18179 4 1 . 1 1 17 17 LEU CB C 52 42.494 42.494 42.229 0.265 18179 5 1 . 1 1 17 17 LEU H H 52 7.103 7.103 8.199 -1.096 18179 6 1 . 1 1 18 18 ILE CB C 53 36.458 36.458 38.280 -1.822 18179 7 1 . 1 1 23 23 TYR HA H 58 4.359 4.359 4.119 0.240 18179 8 1 . 1 1 23 23 TYR C C 58 176.387 176.387 177.046 -0.659 18179 9 1 . 1 1 23 23 TYR CA C 58 59.597 59.597 61.837 -2.240 18179 10 1 . 1 1 23 23 TYR CB C 58 38.572 38.572 38.309 0.263 18179 11 1 . 1 1 24 24 GLU N N 59 117.335 117.335 119.147 -1.812 18179 12 1 . 1 1 24 24 GLU CA C 59 60.871 60.871 59.434 1.437 18179 13 1 . 1 1 24 24 GLU CB C 59 28.494 28.494 28.760 -0.266 18179 14 1 . 1 1 24 24 GLU H H 59 9.191 9.191 8.654 0.537 18179 15 1 . 1 1 25 25 ALA N N 60 120.861 120.861 121.330 -0.469 18179 16 1 . 1 1 25 25 ALA CA C 60 54.555 54.555 54.511 0.044 18179 17 1 . 1 1 25 25 ALA CB C 60 18.528 18.528 18.174 0.354 18179 18 1 . 1 1 25 25 ALA H H 60 7.688 7.688 7.641 0.047 18179 19 1 . 1 1 26 26 ALA N N 61 123.402 123.402 122.401 1.001 18179 20 1 . 1 1 26 26 ALA HA H 61 3.900 3.900 4.022 -0.122 18179 21 1 . 1 1 26 26 ALA CA C 61 55.346 55.346 54.976 0.370 18179 22 1 . 1 1 26 26 ALA CB C 61 19.104 19.104 18.305 0.799 18179 23 1 . 1 1 26 26 ALA H H 61 8.225 8.225 7.711 0.514 18179 24 1 . 1 1 27 27 LEU N N 62 118.742 118.742 118.927 -0.185 18179 25 1 . 1 1 27 27 LEU HA H 62 3.700 3.700 3.976 -0.276 18179 26 1 . 1 1 27 27 LEU C C 62 171.911 171.911 179.235 -7.324 18179 27 1 . 1 1 27 27 LEU CA C 62 57.654 57.654 57.707 -0.053 18179 28 1 . 1 1 27 27 LEU CB C 62 41.905 41.905 41.433 0.472 18179 29 1 . 1 1 27 27 LEU H H 62 8.336 8.336 7.897 0.439 18179 30 1 . 1 1 28 28 TYR N N 63 117.594 117.594 119.119 -1.525 18179 31 1 . 1 1 28 28 TYR HA H 63 4.007 4.007 4.064 -0.057 18179 32 1 . 1 1 28 28 TYR C C 63 179.075 179.075 177.566 1.509 18179 33 1 . 1 1 28 28 TYR CA C 63 61.769 61.769 61.872 -0.103 18179 34 1 . 1 1 28 28 TYR CB C 63 38.071 38.071 38.290 -0.219 18179 35 1 . 1 1 28 28 TYR H H 63 7.279 7.279 7.752 -0.473 18179 36 1 . 1 1 29 29 LYS N N 64 121.077 121.077 119.994 1.083 18179 37 1 . 1 1 29 29 LYS HA H 64 3.663 3.663 3.997 -0.334 18179 38 1 . 1 1 29 29 LYS C C 64 176.394 176.394 179.051 -2.657 18179 39 1 . 1 1 29 29 LYS CA C 64 59.230 59.230 58.725 0.505 18179 40 1 . 1 1 29 29 LYS CB C 64 32.573 32.573 32.156 0.417 18179 41 1 . 1 1 29 29 LYS H H 64 8.472 8.472 8.186 0.286 18179 42 1 . 1 1 30 30 SER N N 65 117.933 117.933 115.356 2.577 18179 43 1 . 1 1 30 30 SER HA H 65 4.160 4.160 4.233 -0.073 18179 44 1 . 1 1 30 30 SER C C 65 176.518 176.518 176.291 0.227 18179 45 1 . 1 1 30 30 SER CA C 65 61.706 61.706 61.799 -0.094 18179 46 1 . 1 1 30 30 SER CB C 65 64.022 64.022 62.957 1.065 18179 47 1 . 1 1 30 30 SER H H 65 8.500 8.500 8.419 0.081 18179 48 1 . 1 1 31 31 LYS N N 66 117.248 117.248 121.841 -4.593 18179 49 1 . 1 1 31 31 LYS HA H 66 4.301 4.301 4.102 0.199 18179 50 1 . 1 1 31 31 LYS C C 66 179.721 179.721 178.387 1.334 18179 51 1 . 1 1 31 31 LYS CA C 66 59.165 59.165 58.819 0.346 18179 52 1 . 1 1 31 31 LYS CB C 66 32.372 32.372 32.188 0.184 18179 53 1 . 1 1 31 31 LYS H H 66 8.020 8.020 7.860 0.160 18179 54 1 . 1 1 32 32 THR N N 67 109.772 109.772 111.278 -1.506 18179 55 1 . 1 1 32 32 THR HA H 67 3.883 3.883 4.214 -0.331 18179 56 1 . 1 1 32 32 THR C C 67 176.237 176.237 175.721 0.516 18179 57 1 . 1 1 32 32 THR CA C 67 64.813 64.813 64.232 0.581 18179 58 1 . 1 1 32 32 THR CB C 67 69.445 69.445 68.883 0.562 18179 59 1 . 1 1 32 32 THR H H 67 7.844 7.844 7.545 0.299 18179 60 1 . 1 1 33 33 SER N N 68 115.610 115.610 115.691 -0.081 18179 61 1 . 1 1 33 33 SER HA H 68 4.369 4.369 4.468 -0.099 18179 62 1 . 1 1 33 33 SER C C 68 174.628 174.628 174.334 0.294 18179 63 1 . 1 1 33 33 SER CA C 68 59.242 59.242 58.568 0.675 18179 64 1 . 1 1 33 33 SER CB C 68 65.166 65.166 64.252 0.914 18179 65 1 . 1 1 33 33 SER H H 68 8.047 8.047 7.570 0.477 18179 66 1 . 1 1 34 34 ASN N N 69 110.215 110.215 117.483 -7.268 18179 67 1 . 1 1 34 34 ASN HA H 69 4.181 4.181 4.394 -0.213 18179 68 1 . 1 1 34 34 ASN C C 69 173.253 173.253 173.940 -0.687 18179 69 1 . 1 1 34 34 ASN CA C 69 54.302 54.302 54.456 -0.154 18179 70 1 . 1 1 34 34 ASN CB C 69 38.506 38.506 37.052 1.454 18179 71 1 . 1 1 34 34 ASN H H 69 8.061 8.061 8.057 0.004 18179 72 1 . 1 1 35 35 LYS N N 70 117.312 117.312 119.479 -2.167 18179 73 1 . 1 1 35 35 LYS HA H 70 4.676 4.676 4.779 -0.103 18179 74 1 . 1 1 35 35 LYS CA C 70 53.385 53.385 53.294 0.091 18179 75 1 . 1 1 35 35 LYS CB C 70 34.049 34.049 33.778 0.271 18179 76 1 . 1 1 35 35 LYS H H 70 7.589 7.589 7.659 -0.070 18179 77 1 . 1 1 36 36 PRO HA H 71 4.371 4.371 4.380 -0.009 18179 78 1 . 1 1 36 36 PRO C C 71 172.189 172.189 175.774 -3.585 18179 79 1 . 1 1 36 36 PRO CA C 71 62.356 62.356 63.075 -0.719 18179 80 1 . 1 1 36 36 PRO CB C 71 31.785 31.785 32.217 -0.432 18179 81 1 . 1 1 37 37 LEU N N 72 122.894 122.894 122.546 0.348 18179 82 1 . 1 1 37 37 LEU HA H 72 5.392 5.392 4.751 0.641 18179 83 1 . 1 1 37 37 LEU C C 72 174.422 174.422 175.604 -1.182 18179 84 1 . 1 1 37 37 LEU CA C 72 52.656 52.656 53.781 -1.125 18179 85 1 . 1 1 37 37 LEU CB C 72 45.220 45.220 43.776 1.444 18179 86 1 . 1 1 37 37 LEU H H 72 8.936 8.936 8.083 0.853 18179 87 1 . 1 1 38 38 MET N N 73 128.922 128.922 123.573 5.348 18179 88 1 . 1 1 38 38 MET C C 73 172.488 172.488 175.173 -2.685 18179 89 1 . 1 1 38 38 MET CA C 73 54.806 54.806 54.413 0.394 18179 90 1 . 1 1 38 38 MET CB C 73 35.127 35.127 33.772 1.355 18179 91 1 . 1 1 38 38 MET H H 73 8.965 8.965 8.480 0.485 18179 92 1 . 1 1 39 39 ILE N N 74 124.016 124.016 125.446 -1.430 18179 93 1 . 1 1 39 39 ILE HA H 74 4.819 4.819 4.400 0.419 18179 94 1 . 1 1 39 39 ILE C C 74 175.018 175.018 174.328 0.690 18179 95 1 . 1 1 39 39 ILE CA C 74 59.688 59.688 60.361 -0.673 18179 96 1 . 1 1 39 39 ILE CB C 74 40.407 40.407 38.310 2.097 18179 97 1 . 1 1 39 39 ILE H H 74 8.727 8.727 8.718 0.009 18179 98 1 . 1 1 40 40 ILE N N 75 126.837 126.837 128.388 -1.551 18179 99 1 . 1 1 40 40 ILE HA H 75 4.038 4.038 4.732 -0.694 18179 100 1 . 1 1 40 40 ILE C C 75 175.282 175.282 174.673 0.609 18179 101 1 . 1 1 40 40 ILE CA C 75 60.408 60.408 59.807 0.601 18179 102 1 . 1 1 40 40 ILE CB C 75 40.028 40.028 38.890 1.139 18179 103 1 . 1 1 40 40 ILE H H 75 8.587 8.587 8.375 0.212 18179 104 1 . 1 1 41 41 HIS N N 76 128.633 128.633 126.276 2.357 18179 105 1 . 1 1 41 41 HIS CA C 76 56.453 56.453 54.304 2.149 18179 106 1 . 1 1 41 41 HIS CB C 76 29.368 29.368 33.268 -3.900 18179 107 1 . 1 1 41 41 HIS H H 76 9.145 9.145 8.259 0.886 18179 108 1 . 1 1 42 42 HIS HA H 77 4.822 4.822 4.880 -0.058 18179 109 1 . 1 1 42 42 HIS C C 77 170.942 170.942 173.066 -2.124 18179 110 1 . 1 1 42 42 HIS CA C 77 54.441 54.441 54.819 -0.378 18179 111 1 . 1 1 42 42 HIS CB C 77 34.768 34.768 32.584 2.184 18179 112 1 . 1 1 43 43 LEU N N 78 114.526 114.526 120.001 -5.475 18179 113 1 . 1 1 43 43 LEU HA H 78 4.540 4.540 4.545 -0.005 18179 114 1 . 1 1 43 43 LEU C C 78 177.855 177.855 176.590 1.265 18179 115 1 . 1 1 43 43 LEU CA C 78 54.020 54.020 53.716 0.304 18179 116 1 . 1 1 43 43 LEU CB C 78 46.643 46.643 45.386 1.257 18179 117 1 . 1 1 43 43 LEU H H 78 7.077 7.077 8.342 -1.265 18179 118 1 . 1 1 44 44 ASP N N 79 123.675 123.675 121.161 2.514 18179 119 1 . 1 1 44 44 ASP HA H 79 4.452 4.452 4.540 -0.088 18179 120 1 . 1 1 44 44 ASP C C 79 177.872 177.872 176.818 1.054 18179 121 1 . 1 1 44 44 ASP CA C 79 57.458 57.458 55.841 1.617 18179 122 1 . 1 1 44 44 ASP CB C 79 40.739 40.739 41.242 -0.503 18179 123 1 . 1 1 44 44 ASP H H 79 8.783 8.783 8.656 0.127 18179 124 1 . 1 1 45 45 GLU N N 80 115.578 115.578 118.709 -3.131 18179 125 1 . 1 1 45 45 GLU HA H 80 4.156 4.156 4.243 -0.087 18179 126 1 . 1 1 45 45 GLU C C 80 175.108 175.108 175.951 -0.843 18179 127 1 . 1 1 45 45 GLU CA C 80 56.661 56.661 56.895 -0.234 18179 128 1 . 1 1 45 45 GLU CB C 80 28.604 28.604 29.257 -0.653 18179 129 1 . 1 1 45 45 GLU H H 80 9.146 9.146 8.497 0.649 18179 130 1 . 1 1 46 46 CYS N N 81 125.642 125.642 117.724 7.918 18179 131 1 . 1 1 46 46 CYS HA H 81 4.814 4.814 4.685 0.129 18179 132 1 . 1 1 46 46 CYS C C 81 175.453 175.453 172.693 2.760 18179 133 1 . 1 1 46 46 CYS CA C 81 56.298 56.298 55.639 0.659 18179 134 1 . 1 1 46 46 CYS CB C 81 30.378 30.378 28.314 2.064 18179 135 1 . 1 1 46 46 CYS H H 81 7.146 7.146 7.464 -0.318 18179 136 1 . 1 1 47 47 PRO HA H 82 4.311 4.311 4.200 0.111 18179 137 1 . 1 1 47 47 PRO CA C 82 64.536 64.536 63.591 0.945 18179 138 1 . 1 1 47 47 PRO CB C 82 32.069 32.069 31.758 0.311 18179 139 1 . 1 1 48 48 HIS N N 83 124.416 124.416 122.595 1.821 18179 140 1 . 1 1 48 48 HIS HA H 83 4.511 4.511 4.377 0.134 18179 141 1 . 1 1 48 48 HIS C C 83 178.820 178.820 177.150 1.670 18179 142 1 . 1 1 48 48 HIS CA C 83 59.042 59.042 56.935 2.107 18179 143 1 . 1 1 48 48 HIS CB C 83 28.921 28.921 30.116 -1.195 18179 144 1 . 1 1 48 48 HIS H H 83 8.936 8.936 8.400 0.536 18179 145 1 . 1 1 49 49 SER N N 84 129.973 129.973 119.088 10.885 18179 146 1 . 1 1 49 49 SER HA H 84 4.152 4.152 3.975 0.177 18179 147 1 . 1 1 49 49 SER C C 84 175.397 175.397 175.717 -0.320 18179 148 1 . 1 1 49 49 SER CA C 84 63.873 63.873 61.619 2.254 18179 149 1 . 1 1 49 49 SER CB C 84 65.516 65.516 62.716 2.800 18179 150 1 . 1 1 49 49 SER H H 84 11.408 11.408 8.947 2.461 18179 151 1 . 1 1 50 50 GLN N N 85 118.214 118.214 120.121 -1.907 18179 152 1 . 1 1 50 50 GLN HA H 85 3.701 3.701 4.080 -0.379 18179 153 1 . 1 1 50 50 GLN C C 85 178.213 178.213 177.753 0.460 18179 154 1 . 1 1 50 50 GLN CA C 85 58.201 58.201 58.357 -0.156 18179 155 1 . 1 1 50 50 GLN CB C 85 27.294 27.294 27.908 -0.614 18179 156 1 . 1 1 50 50 GLN H H 85 8.192 8.192 8.119 0.073 18179 157 1 . 1 1 51 51 ALA N N 86 121.790 121.790 122.715 -0.925 18179 158 1 . 1 1 51 51 ALA HA H 86 4.099 4.099 4.113 -0.014 18179 159 1 . 1 1 51 51 ALA C C 86 180.512 180.512 179.425 1.087 18179 160 1 . 1 1 51 51 ALA CA C 86 54.742 54.742 54.695 0.047 18179 161 1 . 1 1 51 51 ALA CB C 86 18.559 18.559 18.321 0.238 18179 162 1 . 1 1 51 51 ALA H H 86 7.748 7.748 8.155 -0.407 18179 163 1 . 1 1 52 52 LEU N N 87 118.528 118.528 118.876 -0.348 18179 164 1 . 1 1 52 52 LEU HA H 87 4.076 4.076 4.135 -0.059 18179 165 1 . 1 1 52 52 LEU CA C 87 57.266 57.266 56.723 0.543 18179 166 1 . 1 1 52 52 LEU CB C 87 41.947 41.947 41.812 0.135 18179 167 1 . 1 1 52 52 LEU H H 87 7.918 7.918 7.572 0.346 18179 168 1 . 1 1 53 53 LYS N N 88 120.398 120.398 119.789 0.609 18179 169 1 . 1 1 53 53 LYS H H 88 7.932 7.932 8.189 -0.258 18179 170 1 . 1 1 54 54 LYS N N 89 115.219 115.219 119.435 -4.216 18179 171 1 . 1 1 54 54 LYS HA H 89 3.790 3.790 4.092 -0.302 18179 172 1 . 1 1 54 54 LYS C C 89 178.614 178.614 178.871 -0.257 18179 173 1 . 1 1 54 54 LYS CA C 89 59.308 59.308 59.294 0.014 18179 174 1 . 1 1 54 54 LYS CB C 89 32.530 32.530 32.133 0.397 18179 175 1 . 1 1 54 54 LYS H H 89 6.889 6.889 7.684 -0.795 18179 176 1 . 1 1 55 55 VAL N N 90 110.991 110.991 118.112 -7.121 18179 177 1 . 1 1 55 55 VAL HA H 90 4.049 4.049 3.814 0.235 18179 178 1 . 1 1 55 55 VAL C C 90 178.054 178.054 177.764 0.290 18179 179 1 . 1 1 55 55 VAL CA C 90 64.467 64.467 65.483 -1.016 18179 180 1 . 1 1 55 55 VAL CB C 90 31.625 31.625 31.333 0.292 18179 181 1 . 1 1 55 55 VAL H H 90 6.748 6.748 7.364 -0.616 18179 182 1 . 1 1 56 56 PHE N N 91 124.010 124.010 120.394 3.616 18179 183 1 . 1 1 56 56 PHE HA H 91 3.829 3.829 4.190 -0.361 18179 184 1 . 1 1 56 56 PHE C C 91 177.496 177.496 176.757 0.739 18179 185 1 . 1 1 56 56 PHE CA C 91 61.854 61.854 60.662 1.192 18179 186 1 . 1 1 56 56 PHE CB C 91 41.828 41.828 38.540 3.288 18179 187 1 . 1 1 56 56 PHE H H 91 8.722 8.722 7.923 0.799 18179 188 1 . 1 1 57 57 ALA N N 92 118.444 118.444 119.173 -0.729 18179 189 1 . 1 1 57 57 ALA HA H 92 4.185 4.185 4.145 0.040 18179 190 1 . 1 1 57 57 ALA C C 92 180.660 180.660 178.615 2.045 18179 191 1 . 1 1 57 57 ALA CA C 92 54.288 54.288 53.947 0.341 18179 192 1 . 1 1 57 57 ALA CB C 92 18.487 18.487 18.727 -0.240 18179 193 1 . 1 1 57 57 ALA H H 92 8.695 8.695 7.899 0.796 18179 194 1 . 1 1 58 58 GLU N N 93 112.263 112.263 117.545 -5.282 18179 195 1 . 1 1 58 58 GLU HA H 93 4.156 4.156 4.221 -0.065 18179 196 1 . 1 1 58 58 GLU C C 93 175.641 175.641 176.698 -1.057 18179 197 1 . 1 1 58 58 GLU CA C 93 55.883 55.883 57.371 -1.488 18179 198 1 . 1 1 58 58 GLU CB C 93 30.495 30.495 30.300 0.195 18179 199 1 . 1 1 58 58 GLU H H 93 7.108 7.108 7.889 -0.781 18179 200 1 . 1 1 59 59 ASN N N 94 120.422 120.422 119.009 1.413 18179 201 1 . 1 1 59 59 ASN HA H 94 4.590 4.590 4.833 -0.243 18179 202 1 . 1 1 59 59 ASN C C 94 174.151 174.151 175.307 -1.156 18179 203 1 . 1 1 59 59 ASN CA C 94 54.056 54.056 52.520 1.536 18179 204 1 . 1 1 59 59 ASN CB C 94 38.723 38.723 39.207 -0.484 18179 205 1 . 1 1 59 59 ASN H H 94 7.269 7.269 7.942 -0.673 18179 206 1 . 1 1 60 60 LYS N N 95 127.497 127.497 124.678 2.819 18179 207 1 . 1 1 60 60 LYS HA H 95 3.770 3.770 4.002 -0.232 18179 208 1 . 1 1 60 60 LYS C C 95 178.959 178.959 177.757 1.202 18179 209 1 . 1 1 60 60 LYS CA C 95 59.337 59.337 59.259 0.078 18179 210 1 . 1 1 60 60 LYS CB C 95 32.170 32.170 32.371 -0.201 18179 211 1 . 1 1 60 60 LYS H H 95 8.672 8.672 8.626 0.045 18179 212 1 . 1 1 61 61 GLU N N 96 119.409 119.409 119.388 0.021 18179 213 1 . 1 1 61 61 GLU HA H 96 3.984 3.984 4.101 -0.117 18179 214 1 . 1 1 61 61 GLU C C 96 179.574 179.574 178.816 0.758 18179 215 1 . 1 1 61 61 GLU CA C 96 59.955 59.955 59.051 0.904 18179 216 1 . 1 1 61 61 GLU CB C 96 29.246 29.246 29.227 0.019 18179 217 1 . 1 1 61 61 GLU H H 96 7.988 7.988 8.262 -0.274 18179 218 1 . 1 1 62 62 ILE N N 97 122.621 122.621 120.130 2.491 18179 219 1 . 1 1 62 62 ILE HA H 97 3.224 3.224 3.735 -0.511 18179 220 1 . 1 1 62 62 ILE C C 97 177.158 177.158 177.804 -0.646 18179 221 1 . 1 1 62 62 ILE CA C 97 65.787 65.787 64.643 1.144 18179 222 1 . 1 1 62 62 ILE CB C 97 37.710 37.710 37.845 -0.135 18179 223 1 . 1 1 62 62 ILE H H 97 8.484 8.484 8.048 0.436 18179 224 1 . 1 1 63 63 GLN N N 98 115.619 115.619 119.393 -3.774 18179 225 1 . 1 1 63 63 GLN HA H 98 3.481 3.481 3.624 -0.143 18179 226 1 . 1 1 63 63 GLN C C 98 178.097 178.097 178.110 -0.013 18179 227 1 . 1 1 63 63 GLN CA C 98 58.601 58.601 59.059 -0.458 18179 228 1 . 1 1 63 63 GLN CB C 98 28.834 28.834 28.328 0.506 18179 229 1 . 1 1 63 63 GLN H H 98 8.046 8.046 7.896 0.150 18179 230 1 . 1 1 64 64 LYS N N 99 116.464 116.464 119.470 -3.006 18179 231 1 . 1 1 64 64 LYS HA H 99 4.125 4.125 4.102 0.023 18179 232 1 . 1 1 64 64 LYS C C 99 179.740 179.740 179.012 0.728 18179 233 1 . 1 1 64 64 LYS CA C 99 57.955 57.955 58.713 -0.758 18179 234 1 . 1 1 64 64 LYS CB C 99 32.054 32.054 32.105 -0.051 18179 235 1 . 1 1 64 64 LYS H H 99 7.578 7.578 7.833 -0.255 18179 236 1 . 1 1 65 65 LEU N N 100 122.576 122.576 119.504 3.073 18179 237 1 . 1 1 65 65 LEU HA H 100 4.128 4.128 4.141 -0.013 18179 238 1 . 1 1 65 65 LEU C C 100 178.481 178.481 178.421 0.060 18179 239 1 . 1 1 65 65 LEU CA C 100 57.044 57.044 57.458 -0.414 18179 240 1 . 1 1 65 65 LEU CB C 100 41.883 41.883 41.627 0.256 18179 241 1 . 1 1 65 65 LEU H H 100 7.916 7.916 7.712 0.204 18179 242 1 . 1 1 66 66 ALA N N 101 119.534 119.534 120.035 -0.501 18179 243 1 . 1 1 66 66 ALA HA H 101 3.810 3.810 3.513 0.297 18179 244 1 . 1 1 66 66 ALA C C 101 177.520 177.520 178.930 -1.410 18179 245 1 . 1 1 66 66 ALA CA C 101 54.772 54.772 54.092 0.680 18179 246 1 . 1 1 66 66 ALA CB C 101 17.737 17.737 18.529 -0.792 18179 247 1 . 1 1 66 66 ALA H H 101 8.511 8.511 7.715 0.796 18179 248 1 . 1 1 67 67 GLU N N 102 113.081 113.081 117.102 -4.021 18179 249 1 . 1 1 67 67 GLU HA H 102 4.113 4.113 4.050 0.063 18179 250 1 . 1 1 67 67 GLU C C 102 178.295 178.295 177.702 0.593 18179 251 1 . 1 1 67 67 GLU CA C 102 58.285 58.285 58.418 -0.133 18179 252 1 . 1 1 67 67 GLU CB C 102 29.952 29.952 29.519 0.433 18179 253 1 . 1 1 67 67 GLU H H 102 7.039 7.039 7.847 -0.808 18179 254 1 . 1 1 68 68 GLN N N 103 116.244 116.244 116.668 -0.424 18179 255 1 . 1 1 68 68 GLN HA H 103 4.107 4.107 4.213 -0.106 18179 256 1 . 1 1 68 68 GLN C C 103 173.173 173.173 175.998 -2.825 18179 257 1 . 1 1 68 68 GLN CA C 103 56.094 56.094 56.782 -0.688 18179 258 1 . 1 1 68 68 GLN CB C 103 28.703 28.703 29.563 -0.860 18179 259 1 . 1 1 68 68 GLN H H 103 8.167 8.167 7.486 0.681 18179 260 1 . 1 1 69 69 PHE N N 104 116.822 116.822 116.199 0.623 18179 261 1 . 1 1 69 69 PHE HA H 104 4.645 4.645 4.818 -0.173 18179 262 1 . 1 1 69 69 PHE C C 104 177.346 177.346 175.303 2.043 18179 263 1 . 1 1 69 69 PHE CA C 104 57.254 57.254 56.323 0.931 18179 264 1 . 1 1 69 69 PHE CB C 104 40.897 40.897 40.967 -0.070 18179 265 1 . 1 1 69 69 PHE H H 104 7.633 7.633 7.306 0.327 18179 266 1 . 1 1 70 70 VAL N N 105 120.799 120.799 120.167 0.632 18179 267 1 . 1 1 70 70 VAL HA H 105 3.867 3.867 4.277 -0.410 18179 268 1 . 1 1 70 70 VAL C C 105 174.191 174.191 175.085 -0.894 18179 269 1 . 1 1 70 70 VAL CA C 105 63.450 63.450 62.041 1.409 18179 270 1 . 1 1 70 70 VAL CB C 105 31.566 31.566 32.454 -0.888 18179 271 1 . 1 1 70 70 VAL H H 105 8.943 8.943 8.614 0.329 18179 272 1 . 1 1 71 71 LEU N N 106 129.105 129.105 125.505 3.600 18179 273 1 . 1 1 71 71 LEU HA H 106 4.850 4.850 4.711 0.139 18179 274 1 . 1 1 71 71 LEU CA C 106 53.854 53.854 53.744 0.110 18179 275 1 . 1 1 71 71 LEU CB C 106 44.478 44.478 44.468 0.010 18179 276 1 . 1 1 71 71 LEU H H 106 8.432 8.432 8.405 0.027 18179 277 1 . 1 1 72 72 LEU N N 107 123.682 123.682 124.103 -0.421 18179 278 1 . 1 1 72 72 LEU H H 107 8.298 8.298 8.197 0.101 18179 279 1 . 1 1 73 73 ASN N N 108 125.520 125.520 120.811 4.709 18179 280 1 . 1 1 73 73 ASN CA C 108 51.631 51.631 53.377 -1.746 18179 281 1 . 1 1 73 73 ASN CB C 108 41.484 41.484 38.715 2.769 18179 282 1 . 1 1 73 73 ASN H H 108 9.761 9.761 8.507 1.254 18179 283 1 . 1 1 74 74 LEU N N 109 122.070 122.070 120.745 1.325 18179 284 1 . 1 1 74 74 LEU H H 109 8.563 8.563 7.842 0.721 18179 285 1 . 1 1 75 75 VAL HA H 110 5.100 5.100 4.132 0.968 18179 286 1 . 1 1 75 75 VAL CA C 110 59.157 59.157 62.595 -3.438 18179 287 1 . 1 1 76 76 TYR N N 111 120.641 120.641 122.094 -1.453 18179 288 1 . 1 1 76 76 TYR HA H 111 4.569 4.569 4.523 0.046 18179 289 1 . 1 1 76 76 TYR C C 111 175.393 175.393 175.175 0.218 18179 290 1 . 1 1 76 76 TYR CA C 111 57.736 57.736 58.238 -0.502 18179 291 1 . 1 1 76 76 TYR CB C 111 39.426 39.426 39.342 0.084 18179 292 1 . 1 1 76 76 TYR H H 111 8.255 8.255 8.119 0.136 18179 293 1 . 1 1 79 79 THR HA H 114 4.180 4.180 4.250 -0.070 18179 294 1 . 1 1 79 79 THR CA C 114 61.295 61.295 62.445 -1.150 18179 295 1 . 1 1 79 79 THR CB C 114 68.683 68.683 69.704 -1.021 18179 296 1 . 1 1 80 80 ASP N N 115 121.026 121.026 124.294 -3.268 18179 297 1 . 1 1 80 80 ASP C C 115 177.959 177.959 176.553 1.406 18179 298 1 . 1 1 80 80 ASP CA C 115 53.276 53.276 53.930 -0.654 18179 299 1 . 1 1 80 80 ASP H H 115 7.746 7.746 8.333 -0.587 18179 300 1 . 1 1 81 81 LYS N N 116 129.056 129.056 124.465 4.591 18179 301 1 . 1 1 81 81 LYS HA H 116 3.828 3.828 4.146 -0.318 18179 302 1 . 1 1 81 81 LYS C C 116 179.118 179.118 177.126 1.992 18179 303 1 . 1 1 81 81 LYS CA C 116 57.957 57.957 57.671 0.286 18179 304 1 . 1 1 81 81 LYS CB C 116 31.273 31.273 32.370 -1.097 18179 305 1 . 1 1 81 81 LYS H H 116 8.873 8.873 8.557 0.316 18179 306 1 . 1 1 82 82 HIS N N 117 116.887 116.887 117.198 -0.311 18179 307 1 . 1 1 82 82 HIS HA H 117 4.290 4.290 4.450 -0.160 18179 308 1 . 1 1 82 82 HIS C C 117 175.622 175.622 176.481 -0.859 18179 309 1 . 1 1 82 82 HIS CA C 117 57.865 57.865 58.149 -0.284 18179 310 1 . 1 1 82 82 HIS CB C 117 27.704 27.704 30.210 -2.506 18179 311 1 . 1 1 82 82 HIS H H 117 8.707 8.707 8.151 0.556 18179 312 1 . 1 1 83 83 LEU N N 118 113.733 113.733 119.321 -5.588 18179 313 1 . 1 1 83 83 LEU HA H 118 4.290 4.290 4.300 -0.010 18179 314 1 . 1 1 83 83 LEU C C 118 175.949 175.949 176.551 -0.602 18179 315 1 . 1 1 83 83 LEU CA C 118 53.982 53.982 56.164 -2.182 18179 316 1 . 1 1 83 83 LEU CB C 118 41.734 41.734 43.049 -1.315 18179 317 1 . 1 1 83 83 LEU H H 118 7.332 7.332 8.106 -0.774 18179 318 1 . 1 1 84 84 SER N N 119 111.979 111.979 112.208 -0.228 18179 319 1 . 1 1 84 84 SER HA H 119 4.632 4.632 4.736 -0.104 18179 320 1 . 1 1 84 84 SER C C 119 173.830 173.830 172.809 1.021 18179 321 1 . 1 1 84 84 SER CA C 119 55.581 55.581 56.380 -0.799 18179 322 1 . 1 1 84 84 SER CB C 119 62.367 62.367 63.500 -1.133 18179 323 1 . 1 1 84 84 SER H H 119 7.268 7.268 7.704 -0.436 18179 324 1 . 1 1 85 85 PRO HA H 120 4.384 4.384 4.463 -0.079 18179 325 1 . 1 1 85 85 PRO C C 120 177.881 177.881 176.640 1.241 18179 326 1 . 1 1 85 85 PRO CA C 120 65.292 65.292 64.301 0.991 18179 327 1 . 1 1 85 85 PRO CB C 120 31.942 31.942 32.011 -0.069 18179 328 1 . 1 1 86 86 ASP N N 121 117.614 117.614 117.231 0.383 18179 329 1 . 1 1 86 86 ASP HA H 121 4.960 4.960 4.678 0.282 18179 330 1 . 1 1 86 86 ASP C C 121 174.734 174.734 176.439 -1.705 18179 331 1 . 1 1 86 86 ASP CA C 121 51.999 51.999 53.934 -1.935 18179 332 1 . 1 1 86 86 ASP CB C 121 40.327 40.327 40.744 -0.417 18179 333 1 . 1 1 86 86 ASP H H 121 8.882 8.882 8.090 0.792 18179 334 1 . 1 1 87 87 GLY N N 122 106.815 106.815 108.121 -1.306 18179 335 1 . 1 1 87 87 GLY C C 122 173.401 173.401 174.480 -1.079 18179 336 1 . 1 1 87 87 GLY CA C 122 43.814 43.814 45.116 -1.302 18179 337 1 . 1 1 87 87 GLY H H 122 6.973 6.973 7.838 -0.864 18179 338 1 . 1 1 88 88 GLN N N 123 118.319 118.319 119.268 -0.949 18179 339 1 . 1 1 88 88 GLN HA H 123 3.984 3.984 4.259 -0.275 18179 340 1 . 1 1 88 88 GLN C C 123 174.141 174.141 175.110 -0.969 18179 341 1 . 1 1 88 88 GLN CA C 123 54.717 54.717 55.787 -1.070 18179 342 1 . 1 1 88 88 GLN CB C 123 27.267 27.267 29.177 -1.910 18179 343 1 . 1 1 88 88 GLN H H 123 8.224 8.224 8.093 0.131 18179 344 1 . 1 1 89 89 TYR N N 124 117.220 117.220 117.575 -0.355 18179 345 1 . 1 1 89 89 TYR HA H 124 4.596 4.596 4.558 0.038 18179 346 1 . 1 1 89 89 TYR C C 124 173.402 173.402 175.539 -2.137 18179 347 1 . 1 1 89 89 TYR CA C 124 54.672 54.672 57.238 -2.566 18179 348 1 . 1 1 89 89 TYR CB C 124 38.970 38.970 39.205 -0.234 18179 349 1 . 1 1 89 89 TYR H H 124 5.954 5.954 7.445 -1.491 18179 350 1 . 1 1 90 90 VAL N N 125 109.249 109.249 120.751 -11.502 18179 351 1 . 1 1 90 90 VAL HA H 125 4.572 4.572 4.112 0.460 18179 352 1 . 1 1 90 90 VAL C C 125 173.254 173.254 174.810 -1.556 18179 353 1 . 1 1 90 90 VAL CA C 125 57.982 57.982 62.183 -4.201 18179 354 1 . 1 1 90 90 VAL CB C 125 35.376 35.376 31.536 3.840 18179 355 1 . 1 1 90 90 VAL H H 125 8.303 8.303 8.454 -0.151 18179 356 1 . 1 1 92 92 ARG HA H 127 5.178 5.178 4.350 0.828 18179 357 1 . 1 1 92 92 ARG CA C 127 55.689 55.689 56.116 -0.427 18179 358 1 . 1 1 93 93 ILE N N 128 127.696 127.696 122.224 5.472 18179 359 1 . 1 1 93 93 ILE HA H 128 5.088 5.088 4.480 0.608 18179 360 1 . 1 1 93 93 ILE CA C 128 61.063 61.063 60.647 0.416 18179 361 1 . 1 1 93 93 ILE CB C 128 39.101 39.101 38.311 0.790 18179 362 1 . 1 1 93 93 ILE H H 128 9.099 9.099 8.310 0.789 18179 363 1 . 1 1 94 94 MET N N 129 122.683 122.683 124.568 -1.885 18179 364 1 . 1 1 94 94 MET C C 129 174.006 174.006 174.059 -0.053 18179 365 1 . 1 1 94 94 MET CA C 129 51.503 51.503 53.964 -2.461 18179 366 1 . 1 1 94 94 MET CB C 129 34.764 34.764 36.592 -1.828 18179 367 1 . 1 1 94 94 MET H H 129 8.496 8.496 8.394 0.102 18179 368 1 . 1 1 95 95 PHE N N 130 118.014 118.014 118.608 -0.594 18179 369 1 . 1 1 95 95 PHE HA H 130 5.589 5.589 5.308 0.281 18179 370 1 . 1 1 95 95 PHE C C 130 174.811 174.811 173.585 1.226 18179 371 1 . 1 1 95 95 PHE CA C 130 56.432 56.432 55.943 0.489 18179 372 1 . 1 1 95 95 PHE CB C 130 41.941 41.941 41.486 0.455 18179 373 1 . 1 1 95 95 PHE H H 130 8.573 8.573 7.998 0.575 18179 374 1 . 1 1 96 96 VAL N N 131 122.847 122.847 119.191 3.656 18179 375 1 . 1 1 96 96 VAL HA H 131 4.337 4.337 4.412 -0.075 18179 376 1 . 1 1 96 96 VAL C C 131 174.303 174.303 173.962 0.341 18179 377 1 . 1 1 96 96 VAL CA C 131 61.405 61.405 60.308 1.097 18179 378 1 . 1 1 96 96 VAL CB C 131 34.679 34.679 35.671 -0.992 18179 379 1 . 1 1 96 96 VAL H H 131 9.855 9.855 8.698 1.157 18179 380 1 . 1 1 97 97 ASP N N 132 128.042 128.042 122.310 5.732 18179 381 1 . 1 1 97 97 ASP HA H 132 4.883 4.883 4.946 -0.063 18179 382 1 . 1 1 97 97 ASP C C 132 174.958 174.958 175.148 -0.190 18179 383 1 . 1 1 97 97 ASP CA C 132 53.082 53.082 52.519 0.563 18179 384 1 . 1 1 97 97 ASP CB C 132 45.484 45.484 43.028 2.456 18179 385 1 . 1 1 97 97 ASP H H 132 8.399 8.399 8.316 0.083 18179 386 1 . 1 1 98 98 PRO HA H 133 4.566 4.566 4.361 0.205 18179 387 1 . 1 1 98 98 PRO C C 133 175.650 175.650 177.079 -1.429 18179 388 1 . 1 1 98 98 PRO CA C 133 65.207 65.207 64.673 0.535 18179 389 1 . 1 1 98 98 PRO CB C 133 31.858 31.858 32.045 -0.187 18179 390 1 . 1 1 99 99 SER N N 134 111.171 111.171 112.889 -1.718 18179 391 1 . 1 1 99 99 SER HA H 134 4.122 4.122 4.369 -0.247 18179 392 1 . 1 1 99 99 SER C C 134 175.303 175.303 175.369 -0.066 18179 393 1 . 1 1 99 99 SER CA C 134 60.237 60.237 60.117 0.120 18179 394 1 . 1 1 99 99 SER CB C 134 64.471 64.471 63.411 1.060 18179 395 1 . 1 1 99 99 SER H H 134 8.154 8.154 8.293 -0.139 18179 396 1 . 1 1 100 100 LEU N N 135 118.112 118.112 118.486 -0.374 18179 397 1 . 1 1 100 100 LEU HA H 135 3.683 3.683 4.154 -0.471 18179 398 1 . 1 1 100 100 LEU C C 135 175.886 175.886 176.223 -0.337 18179 399 1 . 1 1 100 100 LEU CA C 135 56.548 56.548 56.171 0.377 18179 400 1 . 1 1 100 100 LEU CB C 135 36.922 36.922 41.331 -4.409 18179 401 1 . 1 1 100 100 LEU H H 135 9.194 9.194 8.435 0.758 18179 402 1 . 1 1 101 101 THR N N 136 116.048 116.048 110.258 5.790 18179 403 1 . 1 1 101 101 THR HA H 136 4.191 4.191 4.233 -0.042 18179 404 1 . 1 1 101 101 THR C C 136 173.771 173.771 173.114 0.657 18179 405 1 . 1 1 101 101 THR CA C 136 62.123 62.123 61.830 0.293 18179 406 1 . 1 1 101 101 THR CB C 136 70.407 70.407 69.793 0.613 18179 407 1 . 1 1 101 101 THR H H 136 7.022 7.022 7.527 -0.505 18179 408 1 . 1 1 102 102 VAL N N 137 129.098 129.098 121.133 7.965 18179 409 1 . 1 1 102 102 VAL HA H 137 3.874 3.874 4.191 -0.317 18179 410 1 . 1 1 102 102 VAL C C 137 177.079 177.079 175.522 1.557 18179 411 1 . 1 1 102 102 VAL CA C 137 64.163 64.163 61.723 2.440 18179 412 1 . 1 1 102 102 VAL CB C 137 31.858 31.858 32.645 -0.787 18179 413 1 . 1 1 102 102 VAL H H 137 9.039 9.039 8.289 0.750 18179 414 1 . 1 1 103 103 ARG N N 138 128.421 128.421 126.935 1.486 18179 415 1 . 1 1 103 103 ARG HA H 138 4.724 4.724 4.481 0.243 18179 416 1 . 1 1 103 103 ARG C C 138 177.315 177.315 175.202 2.114 18179 417 1 . 1 1 103 103 ARG CA C 138 50.845 50.845 54.989 -4.144 18179 418 1 . 1 1 103 103 ARG CB C 138 25.210 25.210 30.415 -5.205 18179 419 1 . 1 1 103 103 ARG H H 138 9.355 9.355 8.775 0.580 18179 420 1 . 1 1 104 104 ALA N N 139 130.638 130.638 126.053 4.585 18179 421 1 . 1 1 104 104 ALA HA H 139 4.128 4.128 4.369 -0.241 18179 422 1 . 1 1 104 104 ALA C C 139 170.819 170.819 176.439 -5.620 18179 423 1 . 1 1 104 104 ALA CA C 139 53.517 53.517 52.347 1.170 18179 424 1 . 1 1 104 104 ALA CB C 139 18.047 18.047 19.491 -1.444 18179 425 1 . 1 1 104 104 ALA H H 139 8.340 8.340 8.380 -0.040 18179 426 1 . 1 1 105 105 ASP N N 140 113.599 113.599 119.145 -5.546 18179 427 1 . 1 1 105 105 ASP HA H 140 4.356 4.356 4.651 -0.295 18179 428 1 . 1 1 105 105 ASP C C 140 175.173 175.173 175.376 -0.203 18179 429 1 . 1 1 105 105 ASP CA C 140 54.097 54.097 54.624 -0.527 18179 430 1 . 1 1 105 105 ASP CB C 140 39.219 39.219 41.242 -2.023 18179 431 1 . 1 1 105 105 ASP H H 140 9.653 9.653 8.405 1.248 18179 432 1 . 1 1 106 106 ILE N N 141 122.867 122.867 121.280 1.587 18179 433 1 . 1 1 106 106 ILE HA H 141 4.332 4.332 4.161 0.171 18179 434 1 . 1 1 106 106 ILE C C 141 174.778 174.778 175.490 -0.712 18179 435 1 . 1 1 106 106 ILE CA C 141 62.464 62.464 61.286 1.178 18179 436 1 . 1 1 106 106 ILE CB C 141 36.210 36.210 38.071 -1.861 18179 437 1 . 1 1 106 106 ILE H H 141 7.541 7.541 8.076 -0.535 18179 438 1 . 1 1 107 107 THR N N 142 117.525 117.525 119.562 -2.037 18179 439 1 . 1 1 107 107 THR HA H 142 4.721 4.721 4.600 0.121 18179 440 1 . 1 1 107 107 THR C C 142 175.898 175.898 174.398 1.500 18179 441 1 . 1 1 107 107 THR CA C 142 59.199 59.199 61.100 -1.901 18179 442 1 . 1 1 107 107 THR CB C 142 71.817 71.817 70.491 1.326 18179 443 1 . 1 1 107 107 THR H H 142 7.816 7.816 8.203 -0.387 18179 444 1 . 1 1 108 108 GLY N N 143 109.853 109.853 110.604 -0.751 18179 445 1 . 1 1 108 108 GLY C C 143 174.389 174.389 173.901 0.488 18179 446 1 . 1 1 108 108 GLY CA C 143 44.291 44.291 44.959 -0.668 18179 447 1 . 1 1 108 108 GLY H H 143 8.891 8.891 8.437 0.454 18179 448 1 . 1 1 109 109 ARG N N 144 116.076 116.076 119.772 -3.696 18179 449 1 . 1 1 109 109 ARG HA H 144 4.006 4.006 4.176 -0.170 18179 450 1 . 1 1 109 109 ARG C C 144 176.521 176.521 175.208 1.313 18179 451 1 . 1 1 109 109 ARG CA C 144 55.989 55.989 56.526 -0.537 18179 452 1 . 1 1 109 109 ARG CB C 144 30.851 30.851 30.627 0.224 18179 453 1 . 1 1 109 109 ARG H H 144 8.108 8.108 8.298 -0.190 18179 454 1 . 1 1 110 110 TYR N N 145 123.010 123.010 119.112 3.897 18179 455 1 . 1 1 110 110 TYR HA H 145 4.506 4.506 4.617 -0.111 18179 456 1 . 1 1 110 110 TYR C C 145 178.395 178.395 175.396 2.999 18179 457 1 . 1 1 110 110 TYR CA C 145 57.217 57.217 57.505 -0.288 18179 458 1 . 1 1 110 110 TYR CB C 145 37.232 37.232 39.130 -1.898 18179 459 1 . 1 1 110 110 TYR H H 145 8.825 8.825 8.034 0.791 18179 460 1 . 1 1 111 111 SER N N 146 120.152 120.152 118.237 1.915 18179 461 1 . 1 1 111 111 SER HA H 146 3.948 3.948 4.337 -0.389 18179 462 1 . 1 1 111 111 SER C C 146 174.939 174.939 174.989 -0.050 18179 463 1 . 1 1 111 111 SER CA C 146 60.850 60.850 59.618 1.232 18179 464 1 . 1 1 111 111 SER CB C 146 62.776 62.776 63.490 -0.714 18179 465 1 . 1 1 111 111 SER H H 146 8.616 8.616 8.573 0.043 18179 466 1 . 1 1 112 112 ASN N N 147 116.146 116.146 118.538 -2.392 18179 467 1 . 1 1 112 112 ASN HA H 147 4.558 4.558 4.618 -0.060 18179 468 1 . 1 1 112 112 ASN C C 147 173.693 173.693 174.908 -1.215 18179 469 1 . 1 1 112 112 ASN CA C 147 53.209 53.209 53.879 -0.670 18179 470 1 . 1 1 112 112 ASN CB C 147 37.534 37.534 38.505 -0.971 18179 471 1 . 1 1 112 112 ASN H H 147 8.374 8.374 8.103 0.271 18179 472 1 . 1 1 113 113 ARG N N 148 121.673 121.673 119.807 1.866 18179 473 1 . 1 1 113 113 ARG HA H 148 4.226 4.226 4.301 -0.075 18179 474 1 . 1 1 113 113 ARG C C 148 176.358 176.358 175.137 1.221 18179 475 1 . 1 1 113 113 ARG CA C 148 55.251 55.251 55.784 -0.533 18179 476 1 . 1 1 113 113 ARG CB C 148 30.973 30.973 30.069 0.904 18179 477 1 . 1 1 113 113 ARG H H 148 6.782 6.782 8.046 -1.264 18179 478 1 . 1 1 114 114 LEU N N 149 125.966 125.966 123.098 2.867 18179 479 1 . 1 1 114 114 LEU HA H 149 3.776 3.776 4.306 -0.530 18179 480 1 . 1 1 114 114 LEU C C 149 175.787 175.787 176.180 -0.393 18179 481 1 . 1 1 114 114 LEU CA C 149 57.640 57.640 55.532 2.108 18179 482 1 . 1 1 114 114 LEU CB C 149 43.153 43.153 42.751 0.402 18179 483 1 . 1 1 114 114 LEU H H 149 9.976 9.976 8.291 1.685 18179 484 1 . 1 1 115 115 TYR N N 150 115.137 115.137 116.486 -1.349 18179 485 1 . 1 1 115 115 TYR HA H 150 4.947 4.947 4.632 0.315 18179 486 1 . 1 1 115 115 TYR C C 150 174.449 174.449 174.183 0.266 18179 487 1 . 1 1 115 115 TYR CA C 150 55.986 55.986 57.007 -1.021 18179 488 1 . 1 1 115 115 TYR CB C 150 38.660 38.660 38.806 -0.146 18179 489 1 . 1 1 115 115 TYR H H 150 8.272 8.272 7.636 0.636 18179 490 1 . 1 1 116 116 ALA N N 151 121.349 121.349 127.906 -6.557 18179 491 1 . 1 1 116 116 ALA HA H 151 5.086 5.086 4.589 0.497 18179 492 1 . 1 1 116 116 ALA C C 151 177.541 177.541 175.294 2.247 18179 493 1 . 1 1 116 116 ALA CA C 151 51.614 51.614 51.368 0.246 18179 494 1 . 1 1 116 116 ALA CB C 151 21.262 21.262 21.101 0.161 18179 495 1 . 1 1 116 116 ALA H H 151 7.515 7.515 8.215 -0.700 18179 496 1 . 1 1 117 117 TYR N N 152 115.287 115.287 116.323 -1.036 18179 497 1 . 1 1 117 117 TYR HA H 152 4.693 4.693 4.732 -0.039 18179 498 1 . 1 1 117 117 TYR C C 152 173.749 173.749 174.591 -0.842 18179 499 1 . 1 1 117 117 TYR CA C 152 58.142 58.142 57.568 0.574 18179 500 1 . 1 1 117 117 TYR CB C 152 42.827 42.827 39.424 3.403 18179 501 1 . 1 1 117 117 TYR H H 152 6.916 6.916 8.502 -1.586 18179 502 1 . 1 1 118 118 GLU N N 153 122.624 122.624 121.368 1.256 18179 503 1 . 1 1 118 118 GLU HA H 153 4.951 4.951 4.576 0.375 18179 504 1 . 1 1 118 118 GLU C C 153 175.895 175.895 175.555 0.340 18179 505 1 . 1 1 118 118 GLU CA C 153 54.029 54.029 53.839 0.190 18179 506 1 . 1 1 118 118 GLU CB C 153 29.513 29.513 29.927 -0.414 18179 507 1 . 1 1 118 118 GLU H H 153 9.508 9.508 7.961 1.547 18179 508 1 . 1 1 119 119 PRO HA H 154 4.119 4.119 4.284 -0.165 18179 509 1 . 1 1 119 119 PRO C C 154 176.457 176.457 177.111 -0.654 18179 510 1 . 1 1 119 119 PRO CA C 154 66.240 66.240 65.112 1.128 18179 511 1 . 1 1 119 119 PRO CB C 154 31.682 31.682 31.726 -0.044 18179 512 1 . 1 1 120 120 ALA N N 155 114.721 114.721 118.677 -3.956 18179 513 1 . 1 1 120 120 ALA HA H 155 4.372 4.372 4.216 0.156 18179 514 1 . 1 1 120 120 ALA C C 155 178.528 178.528 178.285 0.243 18179 515 1 . 1 1 120 120 ALA CA C 155 53.148 53.148 53.825 -0.677 18179 516 1 . 1 1 120 120 ALA CB C 155 18.782 18.782 18.829 -0.047 18179 517 1 . 1 1 120 120 ALA H H 155 7.697 7.697 7.981 -0.284 18179 518 1 . 1 1 121 121 ASP N N 156 117.502 117.502 117.583 -0.081 18179 519 1 . 1 1 121 121 ASP HA H 156 5.154 5.154 4.797 0.357 18179 520 1 . 1 1 121 121 ASP C C 156 176.756 176.756 177.000 -0.244 18179 521 1 . 1 1 121 121 ASP CA C 156 54.742 54.742 54.142 0.600 18179 522 1 . 1 1 121 121 ASP CB C 156 42.326 42.326 40.691 1.635 18179 523 1 . 1 1 121 121 ASP H H 156 8.493 8.493 8.016 0.477 18179 524 1 . 1 1 122 122 THR N N 157 111.372 111.372 113.696 -2.325 18179 525 1 . 1 1 122 122 THR HA H 157 3.738 3.738 4.019 -0.281 18179 526 1 . 1 1 122 122 THR C C 157 176.023 176.023 175.847 0.176 18179 527 1 . 1 1 122 122 THR CA C 157 66.673 66.673 65.730 0.943 18179 528 1 . 1 1 122 122 THR CB C 157 67.967 67.967 68.555 -0.588 18179 529 1 . 1 1 122 122 THR H H 157 7.428 7.428 7.588 -0.160 18179 530 1 . 1 1 123 123 ALA N N 158 123.853 123.853 124.276 -0.423 18179 531 1 . 1 1 123 123 ALA HA H 158 4.133 4.133 4.131 0.002 18179 532 1 . 1 1 123 123 ALA C C 158 179.987 179.987 179.352 0.635 18179 533 1 . 1 1 123 123 ALA CA C 158 55.545 55.545 54.856 0.689 18179 534 1 . 1 1 123 123 ALA CB C 158 17.458 17.458 18.041 -0.583 18179 535 1 . 1 1 123 123 ALA H H 158 8.663 8.663 8.214 0.449 18179 536 1 . 1 1 124 124 LEU N N 159 121.199 121.199 119.653 1.546 18179 537 1 . 1 1 124 124 LEU HA H 159 4.229 4.229 4.061 0.168 18179 538 1 . 1 1 124 124 LEU C C 159 178.342 178.342 178.761 -0.419 18179 539 1 . 1 1 124 124 LEU CA C 159 57.329 57.329 57.329 -0.000 18179 540 1 . 1 1 124 124 LEU CB C 159 41.956 41.956 41.576 0.380 18179 541 1 . 1 1 124 124 LEU H H 159 7.444 7.444 7.674 -0.230 18179 542 1 . 1 1 125 125 LEU N N 160 119.836 119.836 120.014 -0.178 18179 543 1 . 1 1 125 125 LEU HA H 160 3.963 3.963 4.004 -0.041 18179 544 1 . 1 1 125 125 LEU C C 160 178.168 178.168 179.119 -0.951 18179 545 1 . 1 1 125 125 LEU CA C 160 58.475 58.475 57.958 0.517 18179 546 1 . 1 1 125 125 LEU CB C 160 40.915 40.915 41.373 -0.458 18179 547 1 . 1 1 125 125 LEU H H 160 8.430 8.430 7.803 0.627 18179 548 1 . 1 1 126 126 LEU N N 161 120.046 120.046 120.017 0.029 18179 549 1 . 1 1 126 126 LEU HA H 161 4.000 4.000 3.957 0.043 18179 550 1 . 1 1 126 126 LEU C C 161 178.848 178.848 178.544 0.304 18179 551 1 . 1 1 126 126 LEU CA C 161 58.524 58.524 58.121 0.403 18179 552 1 . 1 1 126 126 LEU CB C 161 42.005 42.005 41.270 0.735 18179 553 1 . 1 1 126 126 LEU H H 161 8.127 8.127 8.163 -0.036 18179 554 1 . 1 1 127 127 ASP N N 162 119.057 119.057 118.697 0.360 18179 555 1 . 1 1 127 127 ASP HA H 162 4.267 4.267 4.269 -0.002 18179 556 1 . 1 1 127 127 ASP C C 162 179.299 179.299 178.549 0.750 18179 557 1 . 1 1 127 127 ASP CA C 162 57.699 57.699 57.530 0.169 18179 558 1 . 1 1 127 127 ASP CB C 162 40.564 40.564 40.879 -0.315 18179 559 1 . 1 1 127 127 ASP H H 162 7.872 7.872 8.219 -0.347 18179 560 1 . 1 1 128 128 ASN N N 163 122.268 122.268 118.394 3.874 18179 561 1 . 1 1 128 128 ASN HA H 163 4.423 4.423 4.450 -0.027 18179 562 1 . 1 1 128 128 ASN C C 163 177.256 177.256 177.515 -0.259 18179 563 1 . 1 1 128 128 ASN CA C 163 54.502 54.502 55.793 -1.291 18179 564 1 . 1 1 128 128 ASN CB C 163 36.821 36.821 38.548 -1.727 18179 565 1 . 1 1 128 128 ASN H H 163 8.711 8.711 8.235 0.476 18179 566 1 . 1 1 129 129 MET N N 164 122.448 122.448 119.090 3.358 18179 567 1 . 1 1 129 129 MET HA H 164 3.583 3.583 3.951 -0.368 18179 568 1 . 1 1 129 129 MET C C 164 178.272 178.272 178.068 0.204 18179 569 1 . 1 1 129 129 MET CA C 164 59.617 59.617 58.773 0.844 18179 570 1 . 1 1 129 129 MET CB C 164 34.481 34.481 32.470 2.011 18179 571 1 . 1 1 129 129 MET H H 164 8.704 8.704 8.288 0.416 18179 572 1 . 1 1 130 130 LYS N N 165 117.243 117.243 119.350 -2.107 18179 573 1 . 1 1 130 130 LYS HA H 165 3.869 3.869 3.984 -0.115 18179 574 1 . 1 1 130 130 LYS C C 165 180.050 180.050 178.659 1.390 18179 575 1 . 1 1 130 130 LYS CA C 165 60.517 60.517 58.999 1.517 18179 576 1 . 1 1 130 130 LYS CB C 165 31.836 31.836 32.113 -0.277 18179 577 1 . 1 1 130 130 LYS H H 165 7.767 7.767 7.895 -0.128 18179 578 1 . 1 1 131 131 LYS N N 166 120.486 120.486 118.193 2.293 18179 579 1 . 1 1 131 131 LYS HA H 166 3.853 3.853 4.061 -0.208 18179 580 1 . 1 1 131 131 LYS C C 166 179.232 179.232 178.280 0.952 18179 581 1 . 1 1 131 131 LYS CA C 166 60.171 60.171 58.504 1.667 18179 582 1 . 1 1 131 131 LYS CB C 166 32.783 32.783 32.280 0.503 18179 583 1 . 1 1 131 131 LYS H H 166 7.914 7.914 7.665 0.249 18179 584 1 . 1 1 132 132 ALA N N 167 122.426 122.426 120.564 1.862 18179 585 1 . 1 1 132 132 ALA HA H 167 3.625 3.625 3.860 -0.235 18179 586 1 . 1 1 132 132 ALA C C 167 177.616 177.616 178.740 -1.124 18179 587 1 . 1 1 132 132 ALA CA C 167 54.246 54.246 53.825 0.421 18179 588 1 . 1 1 132 132 ALA CB C 167 18.261 18.261 18.489 -0.228 18179 589 1 . 1 1 132 132 ALA H H 167 7.801 7.801 7.555 0.246 18179 590 1 . 1 1 133 133 LEU N N 168 113.735 113.735 116.975 -3.240 18179 591 1 . 1 1 133 133 LEU HA H 168 3.747 3.747 4.146 -0.399 18179 592 1 . 1 1 133 133 LEU C C 168 177.322 177.322 176.546 0.776 18179 593 1 . 1 1 133 133 LEU CA C 168 55.892 55.892 55.785 0.107 18179 594 1 . 1 1 133 133 LEU CB C 168 42.159 42.159 42.207 -0.048 18179 595 1 . 1 1 133 133 LEU H H 168 7.010 7.010 7.399 -0.389 18179 596 1 . 1 1 134 134 LYS N N 169 123.034 123.034 118.508 4.526 18179 597 1 . 1 1 134 134 LYS HA H 169 4.331 4.331 4.304 0.027 18179 598 1 . 1 1 134 134 LYS C C 169 174.307 174.307 175.244 -0.937 18179 599 1 . 1 1 134 134 LYS CA C 169 55.382 55.382 55.371 0.011 18179 600 1 . 1 1 134 134 LYS CB C 169 29.718 29.718 32.704 -2.986 18179 601 1 . 1 1 134 134 LYS H H 169 7.202 7.202 7.289 -0.087 18179 602 1 . 1 1 135 135 LEU N N 170 120.490 120.490 122.154 -1.664 18179 603 1 . 1 1 135 135 LEU HA H 170 3.980 3.980 4.462 -0.482 18179 604 1 . 1 1 135 135 LEU C C 170 178.427 178.427 176.013 2.414 18179 605 1 . 1 1 135 135 LEU CA C 170 54.884 54.884 54.678 0.206 18179 606 1 . 1 1 135 135 LEU CB C 170 40.903 40.903 42.128 -1.225 18179 607 1 . 1 1 135 135 LEU H H 170 7.334 7.334 7.917 -0.583 18179 608 1 . 1 1 136 136 LEU N N 171 120.084 120.084 123.800 -3.716 18179 609 1 . 1 1 136 136 LEU HA H 171 4.040 4.040 4.434 -0.394 18179 610 1 . 1 1 136 136 LEU C C 171 178.231 178.231 176.081 2.150 18179 611 1 . 1 1 136 136 LEU CA C 171 55.750 55.750 54.777 0.973 18179 612 1 . 1 1 136 136 LEU CB C 171 41.734 41.734 43.206 -1.472 18179 613 1 . 1 1 136 136 LEU H H 171 8.614 8.614 8.333 0.281 18179 614 1 . 1 1 137 137 LYS N N 172 121.059 121.059 122.246 -1.187 18179 615 1 . 1 1 137 137 LYS HA H 172 4.333 4.333 4.463 -0.130 18179 616 1 . 1 1 137 137 LYS C C 172 174.388 174.388 175.934 -1.546 18179 617 1 . 1 1 137 137 LYS CA C 172 55.903 55.903 55.941 -0.038 18179 618 1 . 1 1 137 137 LYS CB C 172 32.681 32.681 32.880 -0.199 18179 619 1 . 1 1 137 137 LYS H H 172 8.468 8.468 8.315 0.153 18179 620 1 . 1 1 138 138 THR N N 173 116.267 116.267 116.260 0.007 18179 621 1 . 1 1 138 138 THR HA H 173 4.261 4.261 4.389 -0.128 18179 622 1 . 1 1 138 138 THR C C 173 174.267 174.267 174.277 -0.010 18179 623 1 . 1 1 138 138 THR CA C 173 61.867 61.867 62.266 -0.399 18179 624 1 . 1 1 138 138 THR CB C 173 69.848 69.848 69.473 0.375 18179 625 1 . 1 1 138 138 THR H H 173 8.095 8.095 8.222 -0.127 18179 626 1 . 1 1 139 139 GLU N N 174 123.648 123.648 124.290 -0.642 18179 627 1 . 1 1 139 139 GLU HA H 174 4.288 4.288 4.399 -0.111 18179 628 1 . 1 1 139 139 GLU C C 174 175.178 175.178 175.812 -0.634 18179 629 1 . 1 1 139 139 GLU CA C 174 56.205 56.205 56.414 -0.209 18179 630 1 . 1 1 139 139 GLU CB C 174 30.353 30.353 30.410 -0.057 18179 631 1 . 1 1 139 139 GLU H H 174 8.293 8.293 8.470 -0.177 18179 stop_ save_